smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc([N+](=O)[O-])c([O-])cc1[O-]	970164	166318563	/nfs/dbraw/zinc/31/85/63/166318563.db2.gz	YDIKNQXUAAPWCX-UHFFFAOYSA-N	-2	1	197.146	1.209	50	5		ADBAML
O=[N+]([O-])c1c([O-])cccc1[O-]	90393817	171133703	/nfs/dbraw/zinc/13/37/03/171133703.db2.gz	ZLCPKMIJYMHZMJ-UHFFFAOYSA-N	-2	1	155.109	1.006	50	5	in-vitro	ADBAML
Cc1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	39248561	343208243	/nfs/dbraw/zinc/20/82/43/343208243.db2.gz	MAQGNTACXAOLNE-UHFFFAOYSA-N	-2	1	197.146	1.307	50	5		ADBAML