pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.58	IUPAC digitized pKa	0	-1	C[C@](CC(=O)O)(C(=O)O)c1ccccc1	C[C@](CC(=O)[O-])(C(=O)O)c1ccccc1,C[C@](CC(=O)O)(C(=O)[O-])c1ccccc1	mol11511	CC(CC(=O)O)(C(=O)O)c1ccccc1
6.38	IUPAC digitized pKa	-1	-2	C[C@](CC(=O)[O-])(C(=O)O)c1ccccc1,C[C@](CC(=O)O)(C(=O)[O-])c1ccccc1	C[C@](CC(=O)[O-])(C(=O)[O-])c1ccccc1	mol11511	CC(CC(=O)O)(C(=O)O)c1ccccc1