pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	IUPAC digitized pKa	0	-1	O=C(O)CC(CC(=O)O)c1ccccc1	O=C([O-])CC(CC(=O)O)c1ccccc1	mol11512	O=C(O)CC(CC(=O)O)c1ccccc1
4.13000011444092	QSARToolbox	0	-1	O=C(O)CC(CC(=O)O)c1ccccc1	O=C([O-])CC(CC(=O)O)c1ccccc1	mol11512	O=C(O)CC(CC(=O)O)c1ccccc1
5.34	IUPAC digitized pKa	-1	-2	O=C([O-])CC(CC(=O)O)c1ccccc1	O=C([O-])CC(CC(=O)[O-])c1ccccc1	mol11512	O=C(O)CC(CC(=O)O)c1ccccc1