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-])c1cc2n[n-]nc2c([N+](=O)[O-])c1	ZINC000019907467	371198522	/nfs/dbraw/zinc/19/85/22/371198522.db2.gz	CICJYYXCHDFAHJ-UHFFFAOYSA-N	-2	1	208.133	0.564	50	5		BCBAML
O=[N+]([O-])c1ccc([O-])c(OS(=O)(=O)[O-])c1	ZINC000002046903	360456804	/nfs/dbraw/zinc/45/68/04/360456804.db2.gz	XMCCOOONGGUOLA-UHFFFAOYSA-N	-2	1	235.173	0.482	50	5	in-vivo	BCBAML
CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1[O-]	ZINC000014982693	170289757	/nfs/dbraw/zinc/28/97/57/170289757.db2.gz	JBTWWCUXSHUDEJ-UHFFFAOYSA-N	-2	1	228.160	0.165	50	5		BCBAML
O=C([O-])c1nnc2[n-]cc([N+](=O)[O-])cc1-2	ZINC000095836821	388786594	/nfs/dbraw/zinc/78/65/94/388786594.db2.gz	IKRZBWRXRGSIBG-UHFFFAOYSA-N	-2	1	208.133	0.564	50	5		BCBAML