smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(C[NH+](CC(=O)[O-])CC(=O)[O-])=C2C)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150345394	571459937	/nfs/dbraw/zinc/45/99/37/571459937.db2.gz	RCAAHHBPFMCSEF-SXBRIOAWSA-N	-3	2	700.719	2.346	40	30		KEEBLL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150345394	571459935	/nfs/dbraw/zinc/45/99/35/571459935.db2.gz	RCAAHHBPFMCSEF-SXBRIOAWSA-N	-4	2	700.719	2.346	40	30		KEEBLL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(C[NH+](CC(=O)[O-])CC(=O)[O-])=C2C)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150345396	571459875	/nfs/dbraw/zinc/45/98/75/571459875.db2.gz	RCAAHHBPFMCSEF-UQRQXUALSA-N	-3	2	700.719	2.346	40	30		KEEBLL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)c(C)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150345396	571459874	/nfs/dbraw/zinc/45/98/74/571459874.db2.gz	RCAAHHBPFMCSEF-UQRQXUALSA-N	-4	2	700.719	2.346	40	30		KEEBLL