pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94	AttenGpKa training set	0	-1	O=C(O)[C@H]1C=CCc2ccccc21	O=C([O-])[C@H]1C=CCc2ccccc21	mol23313	O=C(O)C1C=CCc2ccccc21