pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94	IUPAC digitized pKa	0	-1	O=C(O)[C@@H]1CC[C@H]1C(=O)O	O=C([O-])[C@@H]1CC[C@H]1C(=O)O	mol9561	O=C(O)[C@@H]1CC[C@H]1C(=O)O
3.833333333	AttenGpKa training set	0	-1	O=C(O)[C@@H]1CC[C@H]1C(=O)O	O=C([O-])[C@@H]1CC[C@H]1C(=O)O	mol9561	O=C(O)[C@@H]1CC[C@H]1C(=O)O
5.55	IUPAC digitized pKa	-1	-2	O=C([O-])[C@@H]1CC[C@H]1C(=O)O	O=C([O-])[C@@H]1CC[C@H]1C(=O)[O-]	mol9561	O=C(O)[C@@H]1CC[C@H]1C(=O)O
5.596666667	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1CC[C@H]1C(=O)O	O=C([O-])[C@@H]1CC[C@H]1C(=O)[O-]	mol9561	O=C(O)[C@@H]1CC[C@H]1C(=O)O