pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.1	AttenGpKa training set	1	0	O=[N+]([O-])c1ccccc1[NH2+]c1ccccc1	O=[N+]([O-])c1ccccc1Nc1ccccc1	mol23924	O=[N+]([O-])c1ccccc1Nc1ccccc1