pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	OCHEM	0	-1	COC(=O)C[C@@H](C(=O)O)c1ccccc1	COC(=O)C[C@@H](C(=O)[O-])c1ccccc1	mol22608	COC(=O)CC(C(=O)O)c1ccccc1
4.5	QSARToolbox	0	-1	COC(=O)C[C@@H](C(=O)O)c1ccccc1	COC(=O)C[C@@H](C(=O)[O-])c1ccccc1	mol22608	COC(=O)CC(C(=O)O)c1ccccc1