pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	IUPAC digitized pKa	0	-1	C[C@@H](C(=O)O)c1ccccc1	C[C@@H](C(=O)[O-])c1ccccc1	mol10871	CC(C(=O)O)c1ccccc1
6.84999990463257	QSARToolbox	0	-1	C[C@@H](C(=O)O)c1ccccc1	C[C@@H](C(=O)[O-])c1ccccc1	mol10871	CC(C(=O)O)c1ccccc1
4.6399998664856	QSARToolbox	0	-1	C[C@@H](C(=O)O)c1ccccc1	C[C@@H](C(=O)[O-])c1ccccc1	mol10871	CC(C(=O)O)c1ccccc1
4.23000001907349	QSARToolbox	0	-1	C[C@@H](C(=O)O)c1ccccc1	C[C@@H](C(=O)[O-])c1ccccc1	mol10871	CC(C(=O)O)c1ccccc1
4.35	AttenGpKa training set	0	-1	C[C@@H](C(=O)O)c1ccccc1	C[C@@H](C(=O)[O-])c1ccccc1	mol10871	CC(C(=O)O)c1ccccc1