pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.51	AttenGpKa training set	0	-1	CC(=O)[C@@H](C)CC(=O)O	CC(=O)[C@@H](C)CC(=O)[O-]	mol22244	CC(=O)C(C)CC(=O)O