pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.59	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])[nH]n2)cc1	O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])[n-]n2)cc1	mol25551	O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])[nH]n2)cc1