smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Cl	ZINC000001169862	462578042	/nfs/dbraw/zinc/57/80/42/462578042.db2.gz	UVYOPTXUMGKWCN-RUDMXATFSA-N	-2	1	329.786	2.292	50	10		EECAML
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)[O-]	ZINC000004827232	210289215	/nfs/dbraw/zinc/28/92/15/210289215.db2.gz	DVBJNSKWHSGTDK-BJMVGYQFSA-N	-2	1	325.367	2.059	50	10		EECAML
CCOc1cccc(C=C2SC(=S)[N-]C2=O)c1OCC(=O)[O-]	ZINC000004739741	462636728	/nfs/dbraw/zinc/63/67/28/462636728.db2.gz	CEJTVIDJQMSABX-UXBLZVDNSA-N	-2	1	339.394	2.038	50	10		EECAML
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000038160027	202399934	/nfs/dbraw/zinc/39/99/34/202399934.db2.gz	CNUMNJCGQABUAA-CVTQAYBASA-N	-2	1	337.339	2.341	50	10		EECAML
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000004545771	462634156	/nfs/dbraw/zinc/63/41/56/462634156.db2.gz	IHSVFQZGZMLTBE-KEXZDQNZSA-N	-2	1	339.394	2.036	50	10		EECAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000013464101	462893027	/nfs/dbraw/zinc/89/30/27/462893027.db2.gz	JJPKEHPYQIBBPH-UHFFFAOYSA-N	-2	1	335.337	2.094	50	10		EECAML
COc1cccc(C=C2SC(=S)[N-]C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000004743069	210265326	/nfs/dbraw/zinc/26/53/26/210265326.db2.gz	VWVXQRUYGJIVDR-FSEMZKDTSA-N	-2	1	339.394	2.036	50	10		EECAML
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000004545772	210219036	/nfs/dbraw/zinc/21/90/36/210219036.db2.gz	IHSVFQZGZMLTBE-PKTIUJEHSA-N	-2	1	339.394	2.036	50	10		EECAML
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)[O-]	ZINC000002121655	462590483	/nfs/dbraw/zinc/59/04/83/462590483.db2.gz	GCXGVMATVUEQDV-IZZDOVSWSA-N	-2	1	339.394	2.038	50	10		EECAML
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[O-]	ZINC000101469888	219127876	/nfs/dbraw/zinc/12/78/76/219127876.db2.gz	CNUMNJCGQABUAA-FZFLATATSA-N	-2	1	337.339	2.341	50	10		EECAML
COc1cccc(C=C2SC(=S)[N-]C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000004743072	462636501	/nfs/dbraw/zinc/63/65/01/462636501.db2.gz	VWVXQRUYGJIVDR-VSUWBIFXSA-N	-2	1	339.394	2.036	50	10		EECAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1F	ZINC000007052012	462719779	/nfs/dbraw/zinc/71/97/79/462719779.db2.gz	YDLGHFLMZUCCBI-UHFFFAOYSA-N	-2	1	339.300	2.053	50	10		EECAML
O=S(=O)([N-]c1ccc([O-])c(Sc2nc[nH]n2)c1)c1ccccc1	ZINC000006368838	462684345	/nfs/dbraw/zinc/68/43/45/462684345.db2.gz	HVUYWBXHGIZTCK-UHFFFAOYSA-N	-2	1	348.409	2.462	50	10		EECAML