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-])[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000001698096	204017517	/nfs/dbraw/zinc/01/75/17/204017517.db2.gz	DPWOSPPSFSUKHY-CYBMUJFWSA-N	-1	2	356.290	1.592	40	5	in-vitro	FDBBLM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc([N+](=O)[O-])c1O	ZINC000409345392	570752876	/nfs/dbraw/zinc/75/28/76/570752876.db2.gz	LVYKTUSSAWPAKC-IHWYPQMZSA-N	-1	2	350.243	1.589	40	5		FDBBLM
O=C([O-])[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000001995681	210376494	/nfs/dbraw/zinc/37/64/94/210376494.db2.gz	DPWOSPPSFSUKHY-ZDUSSCGKSA-N	-1	2	356.290	1.592	40	5	in-vitro	FDBBLM
COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OCC(=O)[O-]	ZINC000032687740	519525390	/nfs/dbraw/zinc/52/53/90/519525390.db2.gz	RJGQBXLNCXPQMA-WAYWQWQTSA-N	-1	2	363.282	1.026	40	5		FDBBLM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc([N+](=O)[O-])c1O	ZINC000105240931	525479605	/nfs/dbraw/zinc/47/96/05/525479605.db2.gz	HSCBILAGRCPAAP-ONEGZZNKSA-N	-1	2	364.270	1.567	40	5		FDBBLM
CCOc1cc([N+](=O)[O-])cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O	ZINC000059087047	263416525	/nfs/dbraw/zinc/41/65/25/263416525.db2.gz	VRWDOUKMBXSNCK-ONEGZZNKSA-N	-1	2	364.270	1.567	40	5		FDBBLM
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)[O-]	ZINC000032690759	519526135	/nfs/dbraw/zinc/52/61/35/519526135.db2.gz	GKLOIJOZDJAZNW-RQOWECAXSA-N	-1	2	363.282	1.026	40	5		FDBBLM