smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000034782378	188255025	/nfs/dbraw/zinc/25/50/25/188255025.db2.gz	CRSVQLBOXZQCET-UHFFFAOYSA-N	-2	1	239.227	2.296	40	5		BEBBML
CC(C)c1cc(C(=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000035166909	355860006	/nfs/dbraw/zinc/86/00/06/355860006.db2.gz	FFVVJQBQTBDLMK-UHFFFAOYSA-N	-2	1	225.200	2.122	40	5		BEBBML
O=[N+]([O-])c1c([O-])cc([O-])c2ccccc21	ZINC000001703961	357165071	/nfs/dbraw/zinc/16/50/71/357165071.db2.gz	RCIIGVXRDWAHAQ-UHFFFAOYSA-N	-2	1	205.169	2.159	40	5		BEBBML