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-])c1cccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070462699	369802265	/nfs/dbraw/zinc/80/22/65/369802265.db2.gz	LHKQNEFCJXVRSK-FOCLMDBBSA-N	-2	0	286.243	3.204	40	10		CGCBRL
O=C1c2cccc([S-])c2C(=O)c2cccc([S-])c21	ZINC000004972321	368559799	/nfs/dbraw/zinc/55/97/99/368559799.db2.gz	QGHQUFUIEWOCPG-UHFFFAOYSA-N	-2	0	272.350	3.039	40	10		CGCBRL
O=C([O-])c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000100254025	230391696	/nfs/dbraw/zinc/39/16/96/230391696.db2.gz	JNVGBRQYZHTBTP-NXVVXOECSA-N	-2	0	286.243	3.204	40	10		CGCBRL
O=C([O-])c1cccc(/N=N/Nc2cccc(C(=O)[O-])c2)c1	ZINC000005568859	170114583	/nfs/dbraw/zinc/11/45/83/170114583.db2.gz	GBJNLOZTQORSRX-UHFFFAOYSA-N	-2	0	285.259	3.194	40	10		CGCBRL
O=C([O-])c1ccccc1NN=C1C=CC(=O)C(C(=O)[O-])=C1	ZINC000004771359	170014513	/nfs/dbraw/zinc/01/45/13/170014513.db2.gz	BIMRBTZQYOQFBD-FOCLMDBBSA-N	-2	0	286.243	3.204	40	10		CGCBRL
O=C([O-])c1ccc(/N=N/Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000004900156	304232550	/nfs/dbraw/zinc/23/25/50/304232550.db2.gz	BOBJDVKXOOZPFF-UHFFFAOYSA-N	-2	0	285.259	3.194	40	10		CGCBRL
O=C([O-])c1cccc(N=Nc2cccc(C(=O)[O-])c2)c1	ZINC000256769155	304262772	/nfs/dbraw/zinc/26/27/72/304262772.db2.gz	QBVIXYABUQQSRY-UHFFFAOYSA-N	-2	0	270.244	3.498	40	10		CGCBRL