pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.86	IUPAC digitized pKa	0	-1	CC(=O)[C@@H](CC(=O)O)C(=O)O	CC(=O)[C@@H](CC(=O)O)C(=O)[O-],CC(=O)[C@@H](CC(=O)[O-])C(=O)O	mol9566	CC(=O)C(CC(=O)O)C(=O)O
3.04999995231628	QSARToolbox	0	-1	CC(=O)[C@@H](CC(=O)O)C(=O)O	CC(=O)[C@@H](CC(=O)O)C(=O)[O-],CC(=O)[C@@H](CC(=O)[O-])C(=O)O	mol9566	CC(=O)C(CC(=O)O)C(=O)O
4.57	IUPAC digitized pKa	-1	-2	CC(=O)[C@@H](CC(=O)O)C(=O)[O-],CC(=O)[C@@H](CC(=O)[O-])C(=O)O	CC(=O)[C@@H](CC(=O)[O-])C(=O)[O-]	mol9566	CC(=O)C(CC(=O)O)C(=O)O