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(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O	ZINC000008221162	560207705	/nfs/dbraw/zinc/20/77/05/560207705.db2.gz	CNURKUNYCXCBEK-WMNSZERYSA-N	0	0	483.339	-2.568	10	5	in-vitro	JABERN
COC(=O)[C@@]1(Oc2ccc([N+](=O)[O-])cc2)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	ZINC000044021701	523843469	/nfs/dbraw/zinc/84/34/69/523843469.db2.gz	UYMDUGWMVDDTFR-GEDSSDLISA-N	0	0	460.392	-2.816	10	5	in-vitro	JABERN