pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	mol9562	O=C(O)[C@H]1C[C@@H](C(=O)O)C1
4.03	AttenGpKa training set	0	-1	O=C(O)[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	mol9562	O=C(O)[C@H]1C[C@@H](C(=O)O)C1
5.12	IUPAC digitized pKa	-1	-2	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)[O-])C1	mol9562	O=C(O)[C@H]1C[C@@H](C(=O)O)C1
5.31	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1C[C@@H](C(=O)O)C1	O=C([O-])[C@H]1C[C@@H](C(=O)[O-])C1	mol9562	O=C(O)[C@H]1C[C@@H](C(=O)O)C1