smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)[O-]	ZINC000788083598	1077054522	/nfs/dbraw/zinc/05/45/22/1077054522.db2.gz	ROFHJSWOGFUPQK-SNVBAGLBSA-N	-2	1	400.653	2.939	20	30		HFEDML
C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)[O-]	ZINC000788083597	1077054395	/nfs/dbraw/zinc/05/43/95/1077054395.db2.gz	ROFHJSWOGFUPQK-JTQLQIEISA-N	-2	1	400.653	2.939	20	30		HFEDML
CC(=NOC[C@@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000788030864	1077035141	/nfs/dbraw/zinc/03/51/41/1077035141.db2.gz	RETZJRBKKSFNEX-OAHLLOKOSA-N	-2	1	418.471	2.963	20	30		HFEDML
CCCCCCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1nc(C)n(C)c1Br	ZINC000806637717	1079896135	/nfs/dbraw/zinc/89/61/35/1079896135.db2.gz	RDGLWJAYDIIRSM-GFCCVEGCSA-N	-2	1	424.361	2.973	20	30		HFEDML
CCCCCCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1nc(C)n(C)c1Br	ZINC000806637718	1079896033	/nfs/dbraw/zinc/89/60/33/1079896033.db2.gz	RDGLWJAYDIIRSM-LBPRGKRZSA-N	-2	1	424.361	2.973	20	30		HFEDML
CC(=NOC[C@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000788030863	1077035161	/nfs/dbraw/zinc/03/51/61/1077035161.db2.gz	RETZJRBKKSFNEX-HNNXBMFYSA-N	-2	1	418.471	2.963	20	30		HFEDML
CC1(NC([S-])=C(C([O-])=C2C=CC(=NC(N)=O)C=C2)[n+]2cccc([O-])c2Cl)CC1	ZINC000789402036	1077559730	/nfs/dbraw/zinc/55/97/30/1077559730.db2.gz	HEJQFWWQXMTSNI-UHFFFAOYSA-O	-2	1	419.914	2.989	20	30		HFEDML