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-])CN(CC(=O)[O-])c1ccc(/C=C\c2ccc(N(CC(=O)[O-])CC(=O)[O-])c(S(=O)(=O)[O-])c2)cc1S(=O)(=O)[O-]	ZINC000005052939	552493055	/nfs/dbraw/zinc/49/30/55/552493055.db2.gz	YCRTWCQCPYJITG-UPHRSURJSA-N	-6	0	602.552	0.302	40	10		KCCBRL
Cc1cc([C@]2(CN(CC(=O)[O-])CC(=O)[O-])c3ccccc3OS2(=O)=O)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000100127586	554225099	/nfs/dbraw/zinc/22/50/99/554225099.db2.gz	WMGSOHFRJURSQR-VWLOTQADSA-N	-3	0	580.568	0.417	40	10		KCCBRL
Cc1cc([C@@]2(CN(CC(=O)[O-])CC(=O)[O-])c3ccccc3OS2(=O)=O)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000100127591	554225016	/nfs/dbraw/zinc/22/50/16/554225016.db2.gz	WMGSOHFRJURSQR-RUZDIDTESA-N	-3	0	580.568	0.417	40	10		KCCBRL
O=C([O-])CN(CC(=O)[O-])c1ccc(/C=C/c2ccc(N(CC(=O)[O-])CC(=O)[O-])c(S(=O)(=O)[O-])c2)cc1S(=O)(=O)[O-]	ZINC000104131117	571374511	/nfs/dbraw/zinc/37/45/11/571374511.db2.gz	YCRTWCQCPYJITG-OWOJBTEDSA-N	-6	0	602.552	0.302	40	10		KCCBRL