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]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004521726	181119298	/nfs/dbraw/zinc/11/92/98/181119298.db2.gz	QSUILVWOWLUOEU-KNDBQHFLSA-N	-1	0	315.234	-1.134	40	5		DABBRM
O=C([O-])[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000071789685	184842086	/nfs/dbraw/zinc/84/20/86/184842086.db2.gz	QSUILVWOWLUOEU-ZXUATJPGSA-N	-1	0	315.234	-1.134	40	5	in-vitro	DABBRM
O=C([O-])[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000002545116	180934015	/nfs/dbraw/zinc/93/40/15/180934015.db2.gz	QSUILVWOWLUOEU-LNGZZDABSA-N	-1	0	315.234	-1.134	40	5		DABBRM
O=C([O-])[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000013542682	181859632	/nfs/dbraw/zinc/85/96/32/181859632.db2.gz	QSUILVWOWLUOEU-TYCYOEEFSA-N	-1	0	315.234	-1.134	40	5		DABBRM
O=C([O-])[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013514700	181857630	/nfs/dbraw/zinc/85/76/30/181857630.db2.gz	QSUILVWOWLUOEU-LIJGXYGRSA-N	-1	0	315.234	-1.134	40	5		DABBRM