smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccccc2oc2c(Cn3cc[nH+]c3)ccc([N+](=O)[O-])c12	ZINC000003871603	181050404	/nfs/dbraw/zinc/05/04/04/181050404.db2.gz	JLTNBMDVMUSXHQ-UHFFFAOYSA-N	1	2	321.292	3.099	1	5	in-vivo	DGBFLO
COc1ccc2[nH+]c3ccc(OC)cc3c(SCCO)c2c1	ZINC000005582580	181260283	/nfs/dbraw/zinc/26/02/83/181260283.db2.gz	KQQNVJYEAFNAOR-UHFFFAOYSA-N	1	2	315.394	3.490	1	5		DGBFLO
O=[N+]([O-])c1ccccc1O[C@H]1CCCC[C@@H]1Cn1cc[nH+]c1	ZINC000040861467	183144310	/nfs/dbraw/zinc/14/43/10/183144310.db2.gz	DHUBNSRCSFPUCU-HIFRSBDPSA-N	1	2	301.346	3.429	1	5		DGBFLO
O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2n2cc[nH+]c2)c(F)c1	ZINC000066073844	184387049	/nfs/dbraw/zinc/38/70/49/184387049.db2.gz	UZHWBCDZXPJXJL-ZFWWWQNUSA-N	1	2	305.309	3.493	1	5		DGBFLO
C[C@H]1[C@@H]2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CC[N@@H+]2CC1CC1	ZINC000040957041	183151396	/nfs/dbraw/zinc/15/13/96/183151396.db2.gz	CDSURSMPIIMELV-GYOIFBIXSA-N	1	2	316.401	3.235	1	5		DGBFLO
C[C@H]1[C@@H]2Cc3cc([N+](=O)[O-])c(O)cc3[C@@]1(C)CC[N@H+]2CC1CC1	ZINC000040957041	183151397	/nfs/dbraw/zinc/15/13/97/183151397.db2.gz	CDSURSMPIIMELV-GYOIFBIXSA-N	1	2	316.401	3.235	1	5		DGBFLO
C[C@H]1[C@@H]2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CC[N@@H+]2CC1CC1	ZINC000040379899	183057976	/nfs/dbraw/zinc/05/79/76/183057976.db2.gz	FGTWLCWQXIFUIM-MIUNTBIASA-N	1	2	316.401	3.235	1	5		DGBFLO
C[C@H]1[C@@H]2Cc3ccc(O)c([N+](=O)[O-])c3[C@@]1(C)CC[N@H+]2CC1CC1	ZINC000040379899	183057977	/nfs/dbraw/zinc/05/79/77/183057977.db2.gz	FGTWLCWQXIFUIM-MIUNTBIASA-N	1	2	316.401	3.235	1	5		DGBFLO
COc1ccc(Cn2cc[nH+]c2)c2c(=O)c3ccccc3oc12	ZINC000095590619	185382043	/nfs/dbraw/zinc/38/20/43/185382043.db2.gz	KZCZRCOPRXZPOC-UHFFFAOYSA-N	1	2	306.321	3.200	1	5		DGBFLO
O=[N+]([O-])c1ccc(O[C@H]2CCCC[C@@H]2Cn2cc[nH+]c2)cc1	ZINC000040393585	183061026	/nfs/dbraw/zinc/06/10/26/183061026.db2.gz	RMHFGPDIWJPJMX-CJNGLKHVSA-N	1	2	301.346	3.429	1	5		DGBFLO
O=[N+]([O-])c1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1O	ZINC000095583773	185381293	/nfs/dbraw/zinc/38/12/93/185381293.db2.gz	OCDHFFDXJASOHU-UHFFFAOYSA-N	1	2	302.374	3.359	1	5		DGBFLO
O=C(Cn1cc[nH+]c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000073197856	191291205	/nfs/dbraw/zinc/29/12/05/191291205.db2.gz	ORAVVQUWJJXMIU-UHFFFAOYSA-N	1	2	307.309	3.341	1	5		DGBFLO