smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)[C@@H](Cc2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)N1	ZINC000012428292	170488002	/nfs/dbraw/zinc/48/80/02/170488002.db2.gz	PQCCXKGOKOICAM-RXMQYKEDSA-N	-2	3	296.195	-0.041	50	5		CBBAHL
O=C1[N-]C(=O)[C@H](Cc2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)N1	ZINC000012428293	351334127	/nfs/dbraw/zinc/33/41/27/351334127.db2.gz	PQCCXKGOKOICAM-YFKPBYRVSA-N	-2	3	296.195	-0.041	50	5		CBBAHL
O=C([O-])C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000983307	351301074	/nfs/dbraw/zinc/30/10/74/351301074.db2.gz	DJTWAEHEZATPEM-UHFFFAOYSA-N	-2	3	260.227	-0.042	50	5		CBBAHL
O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1[O-]	ZINC000001655641	351305214	/nfs/dbraw/zinc/30/52/14/351305214.db2.gz	XDBZXAFUWZROOS-UHFFFAOYSA-N	-3	3	299.238	-0.206	50	5		CBBAHL