pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	AttenGpKa training set	-1	-2	O=C(O)C[C@@H]1O[C@@H]1C(=O)[O-],O=C([O-])C[C@@H]1O[C@@H]1C(=O)O	O=C([O-])C[C@@H]1O[C@@H]1C(=O)[O-]	mol22537	O=C(O)C[C@@H]1O[C@@H]1C(=O)O
5.29	AttenGpKa training set	-1	-2	O=C(O)C[C@@H]1O[C@@H]1C(=O)[O-],O=C([O-])C[C@@H]1O[C@@H]1C(=O)O	O=C([O-])C[C@@H]1O[C@@H]1C(=O)[O-]	mol22537	O=C(O)C[C@@H]1O[C@@H]1C(=O)O