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-])c1ccc(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000028642554	563060485	/nfs/dbraw/zinc/06/04/85/563060485.db2.gz	VQXUYDXXVMFWJJ-WGDLNXRISA-N	-2	0	436.463	2.512	10	0		IFAERL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000032971217	556588562	/nfs/dbraw/zinc/58/85/62/556588562.db2.gz	COKMVWQZEPTYFK-UHFFFAOYSA-N	-2	0	426.878	2.684	10	0		IFAERL
O=C([O-])c1c2cc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)ccc2nc2c1CCCCC2	ZINC000020677183	526341414	/nfs/dbraw/zinc/34/14/14/526341414.db2.gz	QZOCSFAYKYWDRU-UHFFFAOYSA-N	-2	0	432.498	2.687	10	0		IFAERL
O=C([O-])c1ccc(OCCOCCOCCOCCOc2ccc(C(=O)[O-])cc2)cc1	ZINC000090443397	526380728	/nfs/dbraw/zinc/38/07/28/526380728.db2.gz	FTYCNBNPTUWVET-UHFFFAOYSA-N	-2	0	434.441	2.591	10	0		IFAERL
COc1cc(C=C(C(=O)[O-])/C(=C\c2cc(OC)c(O)c(OC)c2)C(=O)[O-])cc(OC)c1O	ZINC000028097514	563050510	/nfs/dbraw/zinc/05/05/10/563050510.db2.gz	NTOZEZMSPMOENI-ACFHMISVSA-N	-2	0	446.408	2.768	10	0		IFAERL
C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)[O-])CC4)cc3c(C(=O)[O-])c2C1	ZINC000009490503	556294840	/nfs/dbraw/zinc/29/48/40/556294840.db2.gz	GCNPDUTUYZPJGG-LBPRGKRZSA-N	-2	0	432.498	2.543	10	0		IFAERL
O=C([O-])c1ccccc1C(=O)NCc1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000000837245	562919356	/nfs/dbraw/zinc/91/93/56/562919356.db2.gz	OQBVWQUQPZCPSM-UHFFFAOYSA-N	-2	0	432.432	2.943	10	0		IFAERL
C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)[O-])CC4)cc3c(C(=O)[O-])c2C1	ZINC000009490502	556294780	/nfs/dbraw/zinc/29/47/80/556294780.db2.gz	GCNPDUTUYZPJGG-GFCCVEGCSA-N	-2	0	432.498	2.543	10	0		IFAERL