pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.39	AttenGpKa training set	1	0	CC(=O)Nc1ccccc1-c1ccc([NH3+])cc1	CC(=O)Nc1ccccc1-c1ccc(N)cc1	mol23958	CC(=O)Nc1ccccc1-c1ccc(N)cc1