smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c(C)c1	ZINC000085345398	564116028	/nfs/dbraw/zinc/11/60/28/564116028.db2.gz	VBMHFILWYNDQTJ-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1	ZINC000085345406	564116041	/nfs/dbraw/zinc/11/60/41/564116041.db2.gz	KCZPKKNNDGIMDX-UHFFFAOYSA-N	0	1	339.738	5.052	10	5		EKBEMN
O=[N+]([O-])c1cccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)o2)c1	ZINC000085345408	564116044	/nfs/dbraw/zinc/11/60/44/564116044.db2.gz	DQLXVSNWYRWOTM-UHFFFAOYSA-N	0	1	339.738	5.052	10	5		EKBEMN
Cc1cc2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c2c(C)c1	ZINC000085345416	564116050	/nfs/dbraw/zinc/11/60/50/564116050.db2.gz	WIGSJUNZQBTILR-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN
Cc1cc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c(C)c1	ZINC000085345422	564116035	/nfs/dbraw/zinc/11/60/35/564116035.db2.gz	TZAQLGNAYGZXEV-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN
O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)o2)cc1	ZINC000085345429	564116038	/nfs/dbraw/zinc/11/60/38/564116038.db2.gz	CHEVBXRYGXGNJG-UHFFFAOYSA-N	0	1	339.738	5.052	10	5		EKBEMN
Cc1cc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)[nH]c2c(C)c1	ZINC000085345441	564116058	/nfs/dbraw/zinc/11/60/58/564116058.db2.gz	DMMNVIHCDDAGOC-UHFFFAOYSA-N	0	1	347.374	5.323	10	5		EKBEMN
Cc1ccc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)[nH]c2c1	ZINC000085345443	564116072	/nfs/dbraw/zinc/11/60/72/564116072.db2.gz	NBRJTKBWMCYNRM-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN
Cc1ccc(-c2ccc(-c3nc4cc(C)cc(C)c4[nH]3)o2)c([N+](=O)[O-])c1	ZINC000085345466	564116053	/nfs/dbraw/zinc/11/60/53/564116053.db2.gz	CFWAHRHUVVUMKJ-UHFFFAOYSA-N	0	1	347.374	5.323	10	5		EKBEMN
Cc1ccc2nc(-c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)[nH]c2c1	ZINC000085345469	564116076	/nfs/dbraw/zinc/11/60/76/564116076.db2.gz	YQEDPBMSPQHJEP-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN
Cc1ccc2nc(-c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)[nH]c2c1	ZINC000085345490	564116026	/nfs/dbraw/zinc/11/60/26/564116026.db2.gz	AUXBXWJBNWJOPX-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN
Cc1cc2nc(-c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)[nH]c2c(C)c1	ZINC000085345493	564116070	/nfs/dbraw/zinc/11/60/70/564116070.db2.gz	LNQYLUOSBZLHOM-UHFFFAOYSA-N	0	1	347.374	5.323	10	5		EKBEMN
Cc1cc2nc(-c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)[nH]c2c(C)c1	ZINC000085345513	564116102	/nfs/dbraw/zinc/11/61/02/564116102.db2.gz	JCEJBYDAVBSLFV-UHFFFAOYSA-N	0	1	347.374	5.323	10	5		EKBEMN
Cc1ccc2nc(-c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)[nH]c2c1	ZINC000085345515	564116091	/nfs/dbraw/zinc/11/60/91/564116091.db2.gz	UHRZSARURKKANK-UHFFFAOYSA-N	0	1	333.347	5.015	10	5		EKBEMN