smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1N1CC[NH+](CC(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1	ZINC000026165138	563022939	/nfs/dbraw/zinc/02/29/39/563022939.db2.gz	QBZZDHNVXZOITM-AREMUKBSSA-N	1	2	451.611	3.970	1	10		JHCFLO
C[NH+](C)CCNC(=O)c1c2c(ccc1O)n(CCc1ccccc1)c1c2C(=O)c2ccccc2C1=O	ZINC000001663198	562923140	/nfs/dbraw/zinc/92/31/40/562923140.db2.gz	FGVQLZDPDNQNNR-UHFFFAOYSA-N	1	2	481.552	3.656	1	10		JHCFLO
COc1ccc(N2CC[NH+]([C@H](CNC(=O)CC(C)(C)C)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000009715403	562956902	/nfs/dbraw/zinc/95/69/02/562956902.db2.gz	LFLQZYHNBHYRKF-JOCHJYFZSA-N	1	2	453.583	3.840	3	10		JHCFLO
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3cccc(OC)c3[nH+]c12	ZINC000027722232	563050369	/nfs/dbraw/zinc/05/03/69/563050369.db2.gz	PGNCIHCBOGFVEU-UHFFFAOYSA-N	1	2	493.589	3.937	1	10		JHCFLO
CCC[C@@]1(C(=O)OCC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21	ZINC000012467185	520947780	/nfs/dbraw/zinc/94/77/80/520947780.db2.gz	LEGPEBKOBIHWOJ-GOIZPCHYSA-N	1	2	493.604	3.703	1	10		JHCFLO
O=CNCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026843287	563036962	/nfs/dbraw/zinc/03/69/62/563036962.db2.gz	PMFYXQRLDYMPSY-UHFFFAOYSA-N	1	2	465.491	3.528	1	10		JHCFLO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2cc(S(C)(=O)=O)ccc21	ZINC000026845092	563036987	/nfs/dbraw/zinc/03/69/87/563036987.db2.gz	UYIZWWKEYIAQTQ-UHFFFAOYSA-N	1	2	471.560	3.915	1	10		JHCFLO
CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)c(Cl)c1Cl	ZINC000029346145	563101339	/nfs/dbraw/zinc/10/13/39/563101339.db2.gz	JUXJBHBTVGQPSJ-UHFFFAOYSA-N	1	2	468.333	3.704	1	10		JHCFLO
CCOC(=O)c1cc2c(cc(OC)c(O)c2Cn2cc[nH+]c2)nc1C[S@@](=O)c1ccc(F)cc1	ZINC000040835465	563148927	/nfs/dbraw/zinc/14/89/27/563148927.db2.gz	XVOJDJWIIHKCLZ-UMSFTDKQSA-N	1	2	483.521	3.817	1	10		JHCFLO
Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cc(O)c(C[NH+]3CCCCC3)cc2C1=O	ZINC000013588623	562977658	/nfs/dbraw/zinc/97/76/58/562977658.db2.gz	OSWSSQHHRGDJRU-UHFFFAOYSA-N	1	2	464.566	3.755	1	10		JHCFLO
CCOC(=O)c1cc2c(cc(OC)c(O)c2Cn2cc[nH+]c2)nc1C[S@](=O)c1cccc(OC)c1	ZINC000040848206	563149513	/nfs/dbraw/zinc/14/95/13/563149513.db2.gz	PEZNUHUSCHBPHX-PGUFJCEWSA-N	1	2	495.557	3.687	1	10		JHCFLO
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(OC)c3[nH+]c12	ZINC000027185232	563040880	/nfs/dbraw/zinc/04/08/80/563040880.db2.gz	ALMNZQBNMWUATL-UHFFFAOYSA-N	1	2	480.546	3.880	1	10		JHCFLO
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3cccc(OC)c3[nH+]c12	ZINC000029473815	563104745	/nfs/dbraw/zinc/10/47/45/563104745.db2.gz	ROLCUCGGKCGDCU-UHFFFAOYSA-N	1	2	479.562	3.913	1	10		JHCFLO
COc1ccc(N2CCN(c3nc(Nc4ccc(NC(C)=O)cc4)nc(N4CCCC4)[nH+]3)CC2)cc1	ZINC000000756820	562919004	/nfs/dbraw/zinc/91/90/04/562919004.db2.gz	ZVYFRKPSCDXFKI-UHFFFAOYSA-N	1	2	488.596	3.509	1	10		JHCFLO
COc1ccc(N2CC[NH+](CC(=O)N[C@H]3c4c(c(C)cc(C)c4O)CC3(C)C)CC2)cc1OC	ZINC000026165151	563023020	/nfs/dbraw/zinc/02/30/20/563023020.db2.gz	FTCODDIOMWMTDN-SANMLTNESA-N	1	2	467.610	3.588	1	10		JHCFLO
CCOC(=O)c1cc2c(cc(OC)c(O)c2Cn2cc[nH+]c2)nc1C[S@](=O)c1ccc(F)cc1	ZINC000040835467	563148932	/nfs/dbraw/zinc/14/89/32/563148932.db2.gz	XVOJDJWIIHKCLZ-UUWRZZSWSA-N	1	2	483.521	3.817	1	10		JHCFLO
CCOc1ccccc1N1CC[NH+](CC(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CC1	ZINC000026165142	563023045	/nfs/dbraw/zinc/02/30/45/563023045.db2.gz	QBZZDHNVXZOITM-SANMLTNESA-N	1	2	451.611	3.970	1	10		JHCFLO
CCOC(=O)c1cc2c(cc(OC)c(O)c2Cn2cc[nH+]c2)nc1C[S@@](=O)c1cccc(OC)c1	ZINC000040848205	563149534	/nfs/dbraw/zinc/14/95/34/563149534.db2.gz	PEZNUHUSCHBPHX-DHUJRADRSA-N	1	2	495.557	3.687	1	10		JHCFLO
COc1ccc(N2CC[NH+]([C@@H](CNC(=O)CC(C)(C)C)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000009715402	562956899	/nfs/dbraw/zinc/95/68/99/562956899.db2.gz	LFLQZYHNBHYRKF-QFIPXVFZSA-N	1	2	453.583	3.840	3	10		JHCFLO
COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3c4c(c(C)cc(C)c4O)CC3(C)C)CC2)cc1OC	ZINC000026165147	563023025	/nfs/dbraw/zinc/02/30/25/563023025.db2.gz	FTCODDIOMWMTDN-AREMUKBSSA-N	1	2	467.610	3.588	1	10		JHCFLO