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)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000004896194	304155218	/nfs/dbraw/zinc/15/52/18/304155218.db2.gz	DUBUXQUVDJJEBA-MEOJTODESA-N	-2	0	303.183	-2.851	40	5		DABBRL
O=C([O-])[C@@H]1O[C@@H](n2cc([N+](=O)[O-])c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000004896192	304155239	/nfs/dbraw/zinc/15/52/39/304155239.db2.gz	DUBUXQUVDJJEBA-TWLZVZROSA-N	-2	0	303.183	-2.851	40	5		DABBRL
O=C([O-])[C@@H]1O[C@H](n2cc([N+](=O)[O-])c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O	ZINC000004896193	181169313	/nfs/dbraw/zinc/16/93/13/181169313.db2.gz	DUBUXQUVDJJEBA-HHJANIIPSA-N	-2	0	303.183	-2.851	40	5		DABBRL
O=C([O-])[C@@H]1O[C@H](n2cc([N+](=O)[O-])c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000004896191	304155182	/nfs/dbraw/zinc/15/51/82/304155182.db2.gz	DUBUXQUVDJJEBA-OHKRPGQBSA-N	-2	0	303.183	-2.851	40	5		DABBRL
O=c1[nH]c2ccc3[nH]c(=O)/c(=N\[O-])c(=O)c3c2c(=O)/c1=N/[O-]	ZINC000005582639	372769874	/nfs/dbraw/zinc/76/98/74/372769874.db2.gz	CJKRSOLVXYFFRW-DUGOVBPYSA-N	-2	0	302.202	-2.455	40	5		DABBRL