pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.06	IUPAC digitized pKa	0	-1	C[C@]1(C(=O)O)C[C@]1(C)C(=O)O	C[C@]1(C(=O)[O-])C[C@]1(C)C(=O)O	mol9994	CC1(C(=O)O)CC1(C)C(=O)O
6.56	IUPAC digitized pKa	-1	-2	C[C@]1(C(=O)[O-])C[C@]1(C)C(=O)O	C[C@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]	mol9994	CC1(C(=O)O)CC1(C)C(=O)O
3.97000002861023	QSARToolbox	-1	-2	C[C@]1(C(=O)[O-])C[C@]1(C)C(=O)O	C[C@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]	mol9994	CC1(C(=O)O)CC1(C)C(=O)O