smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000013574768	206302663	/nfs/dbraw/zinc/30/26/63/206302663.db2.gz	LRTHAIYDCLRQAA-CYVLTUHYSA-N	-2	0	367.321	2.484	40	30		FEEBRL
NC(=O)C(N=Nc1ccccc1C(=O)[O-])=NNc1ccccc1C(=O)[O-]	ZINC000104226507	543126850	/nfs/dbraw/zinc/12/68/50/543126850.db2.gz	OHRQBJCZZMUBPL-PYKWNVJZSA-N	-2	0	355.310	2.078	40	30		FEEBRL
O=C([O-])CN(CC(=O)[O-])c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000003898707	204113997	/nfs/dbraw/zinc/11/39/97/204113997.db2.gz	FHJYGHYYXFWQKI-JXMROGBWSA-N	-3	0	355.346	2.264	40	30		FEEBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC#N	ZINC000409328466	570750408	/nfs/dbraw/zinc/75/04/08/570750408.db2.gz	VUDSQDHCLBCBSO-GQCTYLIASA-N	-2	0	358.310	2.267	40	30		FEEBRL
NC(=O)C(N=Nc1ccccc1C(=O)[O-])=NNc1ccccc1C(=O)[O-]	ZINC000104226517	543126735	/nfs/dbraw/zinc/12/67/35/543126735.db2.gz	OHRQBJCZZMUBPL-ZSTRDAJGSA-N	-2	0	355.310	2.078	40	30		FEEBRL
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(C(=O)[O-])c1	ZINC000013574764	209581121	/nfs/dbraw/zinc/58/11/21/209581121.db2.gz	HEFUMRRQUHXWFE-CYVLTUHYSA-N	-2	0	367.321	2.484	40	30		FEEBRL
O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])c([O-])cc2[O-])c([N+](=O)[O-])c1	ZINC000105651839	543179083	/nfs/dbraw/zinc/17/90/83/543179083.db2.gz	BHFGRIDNRGKQMY-MKMNVTDBSA-N	-2	0	363.242	2.268	40	30		FEEBRL
O=C([O-])COc1ccc(/C=N/N=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000033661153	539975349	/nfs/dbraw/zinc/97/53/49/539975349.db2.gz	VCCWVRJZFOTRHV-LQGKIZFRSA-N	-2	0	356.334	2.066	40	30		FEEBRL
O=C([O-])c1ccc(/C=N/C(=S)N/N=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000102457074	543070742	/nfs/dbraw/zinc/07/07/42/543070742.db2.gz	DHOCECFZBZYIHD-LRPCQRGVSA-N	-2	0	355.375	2.411	40	30		FEEBRL
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408742247	263495399	/nfs/dbraw/zinc/49/53/99/263495399.db2.gz	VOHUNUZUPRHOGU-FVOVHSBVSA-N	-2	0	367.386	2.151	40	30		FEEBRL
O=C([O-])c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408742248	558689425	/nfs/dbraw/zinc/68/94/25/558689425.db2.gz	VOHUNUZUPRHOGU-LEBHLANCSA-N	-2	0	367.386	2.151	40	30		FEEBRL
NC(=O)C(N=Nc1ccccc1C(=O)[O-])=NNc1ccccc1C(=O)[O-]	ZINC000104226513	222351945	/nfs/dbraw/zinc/35/19/45/222351945.db2.gz	OHRQBJCZZMUBPL-UCUGPLMPSA-N	-2	0	355.310	2.078	40	30		FEEBRL
NC(=O)C(N=Nc1ccccc1C(=O)[O-])=NNc1ccccc1C(=O)[O-]	ZINC000104226503	222353026	/nfs/dbraw/zinc/35/30/26/222353026.db2.gz	OHRQBJCZZMUBPL-WQNZTSTFSA-N	-2	0	355.310	2.078	40	30		FEEBRL