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](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000004896194	304155220	/nfs/dbraw/zinc/15/52/20/304155220.db2.gz	DUBUXQUVDJJEBA-MEOJTODESA-N	-1	1	303.183	-2.851	40	5		DABBMM
O=C([O-])[C@@H]1O[C@@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000004896192	304155241	/nfs/dbraw/zinc/15/52/41/304155241.db2.gz	DUBUXQUVDJJEBA-TWLZVZROSA-N	-1	1	303.183	-2.851	40	5		DABBMM
O=C([O-])[C@@H]1O[C@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000004896193	181169315	/nfs/dbraw/zinc/16/93/15/181169315.db2.gz	DUBUXQUVDJJEBA-HHJANIIPSA-N	-1	1	303.183	-2.851	40	5		DABBMM
O=C([O-])[C@@H]1O[C@H](n2cc([N+](=O)[O-])c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000004896191	304155186	/nfs/dbraw/zinc/15/51/86/304155186.db2.gz	DUBUXQUVDJJEBA-OHKRPGQBSA-N	-1	1	303.183	-2.851	40	5		DABBMM