smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c(=S)[nH]c([O-])c1C=Nc1ccc(Oc2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)cc1	ZINC000003067017	552284981	/nfs/dbraw/zinc/28/49/81/552284981.db2.gz	DZZPWQXFWYUBDY-UHFFFAOYSA-N	-1	2	508.541	1.132	50	10		KDCALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)nc(OC)n1	ZINC000008424752	553014157	/nfs/dbraw/zinc/01/41/57/553014157.db2.gz	JTDQHKDJFDMAES-LGMDPLHJSA-N	-1	2	524.515	1.873	50	10		KDCALM
CN(C)c1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)c2c(O)[nH]c(=O)[nH]c2=O)cc1	ZINC000101291141	554708231	/nfs/dbraw/zinc/70/82/31/554708231.db2.gz	QVWTVBYFUXZKFA-LPHOPBHVSA-N	-1	2	552.569	1.239	50	10		KDCALM
CN(C)c1ccc([C@H](Nc2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)c2c(O)[nH]c(=O)[nH]c2=O)cc1	ZINC000101291151	554708616	/nfs/dbraw/zinc/70/86/16/554708616.db2.gz	QVWTVBYFUXZKFA-APWZRJJASA-N	-1	2	552.569	1.239	50	10		KDCALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)nc(OC)n1	ZINC000103877284	571368527	/nfs/dbraw/zinc/36/85/27/571368527.db2.gz	JTDQHKDJFDMAES-GHRIWEEISA-N	-1	2	524.515	1.873	50	10		KDCALM