pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.92	AttenGpKa training set	0	-1	CC1=C(O)C(=O)C(C(C)C)=CC1=O	CC1=C([O-])C(=O)C(C(C)C)=CC1=O	mol30607	CC1=C(O)C(=O)C(C(C)C)=CC1=O