pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46	AttenGpKa training set	0	-1	O=C(O)CC1C(=O)c2ccccc2C1=O	O=C([O-])CC1C(=O)c2ccccc2C1=O	mol29354	O=C(O)CC1C(=O)c2ccccc2C1=O