smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(NS(=O)(=O)c2ccc(F)cc2)[n-]c(=O)c1CC(=O)[O-]	ZINC000217395023	241247087	/nfs/dbraw/zinc/24/70/87/241247087.db2.gz	RUTXFUAWXOETJD-UHFFFAOYSA-N	-2	1	341.320	0.645	40	0		ECABML
O=C([O-])CSC(=S)[N-]CCNC(=S)SCC(=O)[O-]	ZINC000005178454	435985215	/nfs/dbraw/zinc/98/52/15/435985215.db2.gz	FNWUENKHSUYDGL-UHFFFAOYSA-N	-3	1	328.462	0.371	40	0		ECABML
Cc1ccc(S(=O)(=O)Nc2ncc(CCC(=O)[O-])c(=O)[n-]2)cc1	ZINC000223447769	436707660	/nfs/dbraw/zinc/70/76/60/436707660.db2.gz	RDRXWIHTSFHFMY-UHFFFAOYSA-N	-2	1	337.357	0.896	40	0		ECABML
O=C([O-])Cc1cnc(NS(=O)(=O)c2ccc(F)cc2)[n-]c1=O	ZINC000217389901	241247275	/nfs/dbraw/zinc/24/72/75/241247275.db2.gz	HVXCYMAYOOSNLP-UHFFFAOYSA-N	-2	1	327.293	0.337	40	0		ECABML
O=C([O-])c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)[n-]c1=O	ZINC000217384183	304278351	/nfs/dbraw/zinc/27/83/51/304278351.db2.gz	JPOJRPSCGDBIJV-UHFFFAOYSA-N	-2	1	329.721	0.922	40	0		ECABML
Cc1ccc(S(=O)(=O)Nc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1	ZINC000217394746	241246528	/nfs/dbraw/zinc/24/65/28/241246528.db2.gz	CDDQPSFBQDYFCU-UHFFFAOYSA-N	-2	1	337.357	0.815	40	0		ECABML
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NCC(=O)[O-])C(=O)[O-]	ZINC000003874386	210082103	/nfs/dbraw/zinc/08/21/03/210082103.db2.gz	JETREHBNPJNSMA-ZIAGYGMSSA-N	-2	1	336.388	0.887	40	0		ECABML
O=C([O-])[C@H]1CC(=O)Nc2nc(N3CCc4ccccc43)[n-]c(=O)c21	ZINC000019961284	212090833	/nfs/dbraw/zinc/09/08/33/212090833.db2.gz	ZTNXHEIPKFHKQE-VIFPVBQESA-N	-2	1	326.312	0.975	40	0		ECABML
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000077313137	436231180	/nfs/dbraw/zinc/23/11/80/436231180.db2.gz	QPTXNUZKOOCRLD-MFKMUULPSA-N	-2	1	326.330	0.756	40	0	in-vitro	ECABML
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NCC(=O)[O-])C(=O)[O-]	ZINC000003874387	435976574	/nfs/dbraw/zinc/97/65/74/435976574.db2.gz	JETREHBNPJNSMA-UONOGXRCSA-N	-2	1	336.388	0.887	40	0		ECABML
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000100073029	436546548	/nfs/dbraw/zinc/54/65/48/436546548.db2.gz	QPTXNUZKOOCRLD-GWCFXTLKSA-N	-2	1	326.330	0.756	40	0	in-vitro	ECABML
COc1ccc(S(=O)(=O)Nc2ncc(C(=O)[O-])c(=O)[n-]2)cc1	ZINC000217384484	536880440	/nfs/dbraw/zinc/88/04/40/536880440.db2.gz	LMDSRNRZSIVUQD-UHFFFAOYSA-N	-2	1	325.302	0.278	40	0		ECABML
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(=O)[O-])C(=O)[O-]	ZINC000002391107	279188679	/nfs/dbraw/zinc/18/86/79/279188679.db2.gz	JETREHBNPJNSMA-KBPBESRZSA-N	-2	1	336.388	0.887	40	0		ECABML
O=C([O-])CCc1cnc(NS(=O)(=O)c2ccc(F)cc2)[n-]c1=O	ZINC000223448023	436706129	/nfs/dbraw/zinc/70/61/29/436706129.db2.gz	AXSMXDRSODGJPH-UHFFFAOYSA-N	-2	1	341.320	0.727	40	0		ECABML
COc1ccc(S(=O)(=O)Nc2ncc(CC(=O)[O-])c(=O)[n-]2)cc1	ZINC000217390004	536880108	/nfs/dbraw/zinc/88/01/08/536880108.db2.gz	JPUCQJNTKFGCFR-UHFFFAOYSA-N	-2	1	339.329	0.206	40	0		ECABML
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000100073030	436546652	/nfs/dbraw/zinc/54/66/52/436546652.db2.gz	QPTXNUZKOOCRLD-GXFFZTMASA-N	-2	1	326.330	0.756	40	0	in-vitro	ECABML
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NCC(=O)[O-])C(=O)[O-]	ZINC000003874385	210082019	/nfs/dbraw/zinc/08/20/19/210082019.db2.gz	JETREHBNPJNSMA-KGLIPLIRSA-N	-2	1	336.388	0.887	40	0		ECABML
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@](C)(C(=O)[O-])S(=O)(=O)[O-]	ZINC000077313141	281701931	/nfs/dbraw/zinc/70/19/31/281701931.db2.gz	QPTXNUZKOOCRLD-ZWNOBZJWSA-N	-2	1	326.330	0.756	40	0	in-vitro	ECABML
O=C([O-])[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc43)[n-]c(=O)c21	ZINC000019961280	212090734	/nfs/dbraw/zinc/09/07/34/212090734.db2.gz	ZTNXHEIPKFHKQE-SECBINFHSA-N	-2	1	326.312	0.975	40	0		ECABML
O=C([O-])Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)[n-]c1=O	ZINC000217389689	241246664	/nfs/dbraw/zinc/24/66/64/241246664.db2.gz	UROOSSJSALGTML-UHFFFAOYSA-N	-2	1	343.748	0.851	40	0		ECABML