pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	AttenGpKa training set	0	-1	CC(C)(Nc1ccccc1)C(=O)O,CC(C)([NH2+]c1ccccc1)C(=O)[O-]	CC(C)(Nc1ccccc1)C(=O)[O-]	mol23340	CC(C)(Nc1ccccc1)C(=O)O