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(c1ccccc1F)n1c([O-])c2ccccc2nc1=S	ZINC000103650444	425953624	/nfs/dbraw/zinc/95/36/24/425953624.db2.gz	NVVMYGGGOUIUIQ-UHFFFAOYSA-N	-1	1	300.314	2.513	30	0		DFACMM
O=C(c1ccccc1F)n1c([S-])nc2ccccc2c1=O	ZINC000103650444	425953625	/nfs/dbraw/zinc/95/36/25/425953625.db2.gz	NVVMYGGGOUIUIQ-UHFFFAOYSA-N	-1	1	300.314	2.513	30	0		DFACMM
COc1cccc(CS(=O)(=O)[N-]c2ccc(Cl)cn2)c1	ZINC000097140239	426452729	/nfs/dbraw/zinc/45/27/29/426452729.db2.gz	UMDZAOPSNHJHBE-UHFFFAOYSA-N	-1	1	312.778	2.686	30	0		DFACMM
CC(C)OC(=O)c1ccc(CC(=O)c2ccc([O-])cc2O)o1	ZINC000003121515	425609493	/nfs/dbraw/zinc/60/94/93/425609493.db2.gz	WTXMBWKZKFBQSK-UHFFFAOYSA-N	-1	1	304.298	2.681	30	0		DFACMM
O=C(c1cccc(F)c1)n1c([O-])c2ccccc2nc1=S	ZINC000103650450	425953134	/nfs/dbraw/zinc/95/31/34/425953134.db2.gz	GMKHQJZFLWQRAM-UHFFFAOYSA-N	-1	1	300.314	2.513	30	0		DFACMM
O=C(c1cccc(F)c1)n1c([S-])nc2ccccc2c1=O	ZINC000103650450	425953136	/nfs/dbraw/zinc/95/31/36/425953136.db2.gz	GMKHQJZFLWQRAM-UHFFFAOYSA-N	-1	1	300.314	2.513	30	0		DFACMM
O=C(c1ccc(F)cc1)n1c([O-])c2ccccc2nc1=S	ZINC000103650475	425953726	/nfs/dbraw/zinc/95/37/26/425953726.db2.gz	REDFIOSMOMNDLC-UHFFFAOYSA-N	-1	1	300.314	2.513	30	0		DFACMM
O=C(c1ccc(F)cc1)n1c([S-])nc2ccccc2c1=O	ZINC000103650475	425953728	/nfs/dbraw/zinc/95/37/28/425953728.db2.gz	REDFIOSMOMNDLC-UHFFFAOYSA-N	-1	1	300.314	2.513	30	0		DFACMM
Cc1ccc(C(=O)n2c([S-])nc3ccccc3c2=O)cc1C	ZINC000103650416	425953847	/nfs/dbraw/zinc/95/38/47/425953847.db2.gz	YHSFEPWAWYCTNQ-UHFFFAOYSA-N	-1	1	310.378	2.991	30	0		DFACMM
Cc1ccc(C(=O)n2c([O-])c3ccccc3nc2=S)cc1C	ZINC000103650416	425953850	/nfs/dbraw/zinc/95/38/50/425953850.db2.gz	YHSFEPWAWYCTNQ-UHFFFAOYSA-N	-1	1	310.378	2.991	30	0		DFACMM
C[C@]12C(=O)N(c3cc(Cl)ccc3[O-])C(=O)[C@H]1[C@H]1C=C[C@@H]2C1	ZINC000002502213	425594805	/nfs/dbraw/zinc/59/48/05/425594805.db2.gz	BGTZSQTUUKHIRD-ZKDNPSPCSA-N	-1	1	303.745	2.747	30	0		DFACMM
CCc1ccc(C(=O)n2c([S-])nc3ccccc3c2=O)cc1	ZINC000103650411	425953362	/nfs/dbraw/zinc/95/33/62/425953362.db2.gz	SQQIMDJULMHJMT-UHFFFAOYSA-N	-1	1	310.378	2.936	30	0		DFACMM
CCc1ccc(C(=O)n2c([O-])c3ccccc3nc2=S)cc1	ZINC000103650411	425953365	/nfs/dbraw/zinc/95/33/65/425953365.db2.gz	SQQIMDJULMHJMT-UHFFFAOYSA-N	-1	1	310.378	2.936	30	0		DFACMM
Cc1ccc2nc(CN(C)Cc3ncccc3C(=O)[O-])[nH]c2c1	ZINC000067772715	425912957	/nfs/dbraw/zinc/91/29/57/425912957.db2.gz	JHDMEQCZZNMXIB-UHFFFAOYSA-N	-1	1	310.357	2.597	30	0		DFACMM
C[C@@]12C(=O)N(c3cc(Cl)ccc3[O-])C(=O)[C@H]1[C@H]1C=C[C@@H]2C1	ZINC000004162323	181079780	/nfs/dbraw/zinc/07/97/80/181079780.db2.gz	BGTZSQTUUKHIRD-LOUOBPJHSA-N	-1	1	303.745	2.747	30	0		DFACMM
O=c1ccnc(SCc2noc(-c3ccc(F)cc3)n2)[n-]1	ZINC000005907945	181294869	/nfs/dbraw/zinc/29/48/69/181294869.db2.gz	CKIVJJPYNLFUPK-UHFFFAOYSA-N	-1	1	304.306	2.664	30	0		DFACMM
Cc1n[n-]c2nc(=S)n(-c3ccc(Cl)c(C)c3)c(N)c12	ZINC000100068681	426481209	/nfs/dbraw/zinc/48/12/09/426481209.db2.gz	GTQWHGDMVBUWSA-UHFFFAOYSA-N	-1	1	305.794	2.787	30	0		DFACMM