pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61	IUPAC digitized pKa	0	-1	C[C@@]1(C(=O)O)C[C@]1(C(=O)O)c1ccccc1	C[C@@]1(C(=O)O)C[C@]1(C(=O)[O-])c1ccccc1,C[C@@]1(C(=O)[O-])C[C@]1(C(=O)O)c1ccccc1	mol11661	C[C@@]1(C(=O)O)C[C@]1(C(=O)O)c1ccccc1
5.33	IUPAC digitized pKa	-1	-2	C[C@@]1(C(=O)O)C[C@]1(C(=O)[O-])c1ccccc1,C[C@@]1(C(=O)[O-])C[C@]1(C(=O)O)c1ccccc1	C[C@@]1(C(=O)[O-])C[C@]1(C(=O)[O-])c1ccccc1	mol11661	C[C@@]1(C(=O)O)C[C@]1(C(=O)O)c1ccccc1