smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000043120457	562646093	/nfs/dbraw/zinc/64/60/93/562646093.db2.gz	MMQRSFFSKMGAMF-BKUYFWCQSA-N	-3	0	517.563	4.725	10	10		KJCERL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=C(c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C1=O	ZINC000077312722	553663945	/nfs/dbraw/zinc/66/39/45/553663945.db2.gz	JISAHTSZQJGNHD-ULIFNZDWSA-N	-3	0	630.664	5.564	10	10	in-vitro	KJCERL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2-c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O	ZINC000077312726	553663936	/nfs/dbraw/zinc/66/39/36/553663936.db2.gz	XLNQGJSSMSGNMG-ULIFNZDWSA-N	-3	0	630.664	5.564	10	10	in-vitro	KJCERL