pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.87	AttenGpKa training set	-1	-2	O=C(O)CCc1ccc(S(=O)(=O)[O-])cc1	O=C([O-])CCc1ccc(S(=O)(=O)[O-])cc1	mol23552	O=C(O)CCc1ccc(S(=O)(=O)O)cc1