smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)cc1	ZINC000000995444	553897229	/nfs/dbraw/zinc/89/72/29/553897229.db2.gz	UDVRXNDJGMJHAM-XDHOZWIPSA-N	-2	0	485.905	3.727	10	30		JHEERL
COc1cc(/C=C2\SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000252635687	570089877	/nfs/dbraw/zinc/08/98/77/570089877.db2.gz	WZLKHECXPWHKGU-DNNVDVOZSA-N	-2	0	476.894	3.744	10	30		JHEERL
COc1cc(/C=C2/SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000252635689	570089892	/nfs/dbraw/zinc/08/98/92/570089892.db2.gz	WZLKHECXPWHKGU-DYITUCNMSA-N	-2	0	476.894	3.744	10	30		JHEERL
COc1cc(/C=C2/S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000033619932	521951700	/nfs/dbraw/zinc/95/17/00/521951700.db2.gz	DSOGXEXLNTUCEZ-LUMCLDEASA-N	-2	0	476.894	3.744	10	30		JHEERL