smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1nc(-c2ccccn2)[n-]c1[N+](=O)[O-]	ZINC000005545382	187248226	/nfs/dbraw/zinc/24/82/26/187248226.db2.gz	NEAWSHQWBBYUEK-UHFFFAOYSA-N	-1	0	235.159	1.288	1	5		BDBFRM
Cc1cccc2cc3c(=O)[n-]c(=O)nc-3[nH]c12	ZINC000103201612	179227891	/nfs/dbraw/zinc/22/78/91/179227891.db2.gz	RUUIYZGSCPLPSQ-UHFFFAOYSA-N	-1	0	227.223	1.073	1	5		BDBFRM
O=C([O-])c1c(O)ccc2nc3ccccc3nc21	ZINC000005422103	560201807	/nfs/dbraw/zinc/20/18/07/560201807.db2.gz	GVQIFYBFFGQRGS-UHFFFAOYSA-N	-1	0	240.218	1.726	1	5	in-vitro	BDBFRM
Cc1ncc([N+](=O)[O-])n1CCOC(=S)[S-]	ZINC000028461081	180176558	/nfs/dbraw/zinc/17/65/58/180176558.db2.gz	KTYHQMNWRMWOBO-UHFFFAOYSA-N	-1	0	247.301	1.331	1	5		BDBFRM
O=C([O-])c1cc(=O)c2ccc([N+](=O)[O-])cc2[nH]1	ZINC000013821201	182551910	/nfs/dbraw/zinc/55/19/10/182551910.db2.gz	IQRAMWTVXIQPPW-UHFFFAOYSA-N	-1	0	234.167	1.135	1	5		BDBFRM
O=C([O-])c1cc(=O)c2cccc([N+](=O)[O-])c2o1	ZINC000096271918	182552436	/nfs/dbraw/zinc/55/24/36/182552436.db2.gz	JNMUUGPMODDSNA-UHFFFAOYSA-N	-1	0	235.151	1.399	1	5		BDBFRM
Cc1nc2cc([N+](=O)[O-])c(C(=O)[O-])cc2[nH]1	ZINC000096939218	180075367	/nfs/dbraw/zinc/07/53/67/180075367.db2.gz	WSXNRGHTKAMJFC-UHFFFAOYSA-N	-1	0	221.172	1.478	1	5		BDBFRM
O=C([O-])c1ccc2c(c1)c([N+](=O)[O-])cc[n+]2[O-]	ZINC000005844314	182572737	/nfs/dbraw/zinc/57/27/37/182572737.db2.gz	MJCUNRRGIZCINL-UHFFFAOYSA-N	-1	0	234.167	1.080	1	5		BDBFRM
O=c1[n-]c(=S)nc2[nH]c3ccccc3cc1-2	ZINC000006584015	183009149	/nfs/dbraw/zinc/00/91/49/183009149.db2.gz	SQSDYCCKAFRNLS-UHFFFAOYSA-N	-1	0	229.264	1.712	1	5		BDBFRM