smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000104496993	560851813	/nfs/dbraw/zinc/85/18/13/560851813.db2.gz	GGXKNQVEPWEXPE-DOTOQJQBSA-N	-2	3	412.789	2.571	40	5		HFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000104496990	560851845	/nfs/dbraw/zinc/85/18/45/560851845.db2.gz	GGXKNQVEPWEXPE-WBVHZDCISA-N	-2	3	412.789	2.571	40	5		HFBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)[O-])n[n-]1	ZINC000408631163	559222305	/nfs/dbraw/zinc/22/23/05/559222305.db2.gz	FOGMOEYYLXXWFJ-WTKPLQERSA-N	-3	3	415.225	2.961	40	5		HFBBHL
CCc1nc(SC(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[n-]1	ZINC000408631233	559222373	/nfs/dbraw/zinc/22/23/73/559222373.db2.gz	GQJJADJYRAJPQH-WTKPLQERSA-N	-3	3	415.225	2.961	40	5		HFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Br)cc1	ZINC000018204029	569387447	/nfs/dbraw/zinc/38/74/47/569387447.db2.gz	WJSXHOGEHAKEBW-ZIAGYGMSSA-N	-2	3	416.191	2.855	40	5		HFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Br)cc1	ZINC000100928890	560763101	/nfs/dbraw/zinc/76/31/01/560763101.db2.gz	WJSXHOGEHAKEBW-KBPBESRZSA-N	-2	3	416.191	2.855	40	5		HFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Br)cc1	ZINC000016428046	569050198	/nfs/dbraw/zinc/05/01/98/569050198.db2.gz	WJSXHOGEHAKEBW-UONOGXRCSA-N	-2	3	416.191	2.855	40	5		HFBBHL
O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000226354118	559273571	/nfs/dbraw/zinc/27/35/71/559273571.db2.gz	DPDPZAMQDLJBER-UHFFFAOYSA-N	-2	3	401.194	2.856	40	5		HFBBHL
O=c1nc(C=Cc2cccc(OCc3ccccc3[N+](=O)[O-])c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000108057807	569353380	/nfs/dbraw/zinc/35/33/80/569353380.db2.gz	KUTFBPKMAMJEQW-CMDGGOBGSA-N	-2	3	410.342	2.629	40	5		HFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000104496998	560851802	/nfs/dbraw/zinc/85/18/02/560851802.db2.gz	GGXKNQVEPWEXPE-RDJZCZTQSA-N	-2	3	412.789	2.571	40	5		HFBBHL
O=c1nc(C=Cc2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000107831590	569353047	/nfs/dbraw/zinc/35/30/47/569353047.db2.gz	GAICREDZDTXHPK-DUXPYHPUSA-N	-2	3	404.722	2.963	40	5		HFBBHL
O=c1nc(C=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000108245167	569353474	/nfs/dbraw/zinc/35/34/74/569353474.db2.gz	XRBGLTURODJWNL-JXMROGBWSA-N	-2	3	410.342	2.629	40	5		HFBBHL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)o2)c1	ZINC000409327607	560709724	/nfs/dbraw/zinc/70/97/24/560709724.db2.gz	LLWHTXLFJMEWTQ-RQOWECAXSA-N	-2	3	413.298	2.623	40	5		HFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Br)cc1	ZINC000100928893	560763124	/nfs/dbraw/zinc/76/31/24/560763124.db2.gz	WJSXHOGEHAKEBW-KGLIPLIRSA-N	-2	3	416.191	2.855	40	5		HFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000104496983	560851832	/nfs/dbraw/zinc/85/18/32/560851832.db2.gz	GGXKNQVEPWEXPE-NVXWUHKLSA-N	-2	3	412.789	2.571	40	5		HFBBHL
CCc1nc(SC(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000408631946	559222474	/nfs/dbraw/zinc/22/24/74/559222474.db2.gz	NMSZWPLIBXIOJQ-UITAMQMPSA-N	-3	3	415.225	2.961	40	5		HFBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)[O-])n[n-]1	ZINC000408632863	559222618	/nfs/dbraw/zinc/22/26/18/559222618.db2.gz	UJLXMEMPEJRFTQ-PTNGSMBKSA-N	-2	3	419.463	2.720	40	5		HFBBHL