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-])c1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000006088981	554503798	/nfs/dbraw/zinc/50/37/98/554503798.db2.gz	YGRAODSRIYSRPW-UHFFFAOYSA-N	-2	0	451.413	1.629	40	5		JDBBRL
Nc1nnc2nc(C=C([O-])c3cccc([N+](=O)[O-])c3)c(C=C([O-])c3cccc([N+](=O)[O-])c3)nn12	ZINC000016942956	527578836	/nfs/dbraw/zinc/57/88/36/527578836.db2.gz	LMPRMYIIRMXHKR-UHFFFAOYSA-N	-2	0	462.382	1.769	40	5		JDBBRL
O=c1[nH]c2ccc3[nH]c([O-])c(I)c(=O)c3c2c([O-])c1I	ZINC000016430924	527451625	/nfs/dbraw/zinc/45/16/25/527451625.db2.gz	DJBIWIBOBLCKCG-UHFFFAOYSA-N	-2	0	495.998	1.990	40	5		JDBBRL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nonc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003011939	194205451	/nfs/dbraw/zinc/20/54/51/194205451.db2.gz	FOFXNRCJSAZETJ-UHFFFAOYSA-N	-2	0	470.401	1.488	40	5		JDBBRL
Nc1nnc2nc(C=C([O-])c3ccc([N+](=O)[O-])cc3)c(C=C([O-])c3ccc([N+](=O)[O-])cc3)nn12	ZINC000016942782	556181234	/nfs/dbraw/zinc/18/12/34/556181234.db2.gz	SFLJVMGBZJYOQA-UHFFFAOYSA-N	-2	0	462.382	1.769	40	5		JDBBRL
Nc1nnc2nc(C=C([O-])c3ccccc3[N+](=O)[O-])c(C=C([O-])c3ccccc3[N+](=O)[O-])nn12	ZINC000008655115	527579407	/nfs/dbraw/zinc/57/94/07/527579407.db2.gz	YLIBEUVTLBFICU-UHFFFAOYSA-N	-2	0	462.382	1.769	40	5		JDBBRL
Cn1c([O-])c(C(c2ccc([N+](=O)[O-])cc2)c2c([O-])n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000409099864	570128001	/nfs/dbraw/zinc/12/80/01/570128001.db2.gz	MDSFHNNIHPYQHA-UHFFFAOYSA-N	-2	0	477.524	1.720	40	5		JDBBRL