pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.38	AttenGpKa training set	1	0	CC(C)c1ccc([N+](=O)[O-])cc1[NH3+]	CC(C)c1ccc([N+](=O)[O-])cc1N	mol23828	CC(C)c1ccc([N+](=O)[O-])cc1N