pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.12	IUPAC digitized pKa	0	-1	CC(CC(=O)O)(CC(=O)O)c1ccccc1	CC(CC(=O)[O-])(CC(=O)O)c1ccccc1	mol11670	CC(CC(=O)O)(CC(=O)O)c1ccccc1
4.09999990463257	QSARToolbox	0	-1	CC(CC(=O)O)(CC(=O)O)c1ccccc1	CC(CC(=O)[O-])(CC(=O)O)c1ccccc1	mol11670	CC(CC(=O)O)(CC(=O)O)c1ccccc1
6.17	IUPAC digitized pKa	-1	-2	CC(CC(=O)[O-])(CC(=O)O)c1ccccc1	CC(CC(=O)[O-])(CC(=O)[O-])c1ccccc1	mol11670	CC(CC(=O)O)(CC(=O)O)c1ccccc1