pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.93	AttenGpKa training set	-1	-2	C[C@]1(C(=O)O)C[C@@H]1C(=O)[O-],C[C@]1(C(=O)[O-])C[C@@H]1C(=O)O	C[C@]1(C(=O)[O-])C[C@@H]1C(=O)[O-]	mol22534	C[C@]1(C(=O)O)C[C@@H]1C(=O)O
5.3	AttenGpKa training set	-1	-2	C[C@]1(C(=O)O)C[C@@H]1C(=O)[O-],C[C@]1(C(=O)[O-])C[C@@H]1C(=O)O	C[C@]1(C(=O)[O-])C[C@@H]1C(=O)[O-]	mol22534	C[C@]1(C(=O)O)C[C@@H]1C(=O)O