pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	IUPAC digitized pKa	0	-1	CC(C)(C(=O)O)C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
4.2	IUPAC digitized pKa	0	-1	CC(C)(C(=O)O)C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
3.5	OCHEM	0	-1	CC(C)(C(=O)O)C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
3.9	OCHEM	0	-1	CC(C)(C(=O)O)C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
3.525	AttenGpKa training set	0	-1	CC(C)(C(=O)O)C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
7.41	IUPAC digitized pKa	-1	-2	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)[O-]	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
7.75	IUPAC digitized pKa	-1	-2	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)[O-]	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
7.28000020980835	QSARToolbox	-1	-2	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)[O-]	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O
7.345	AttenGpKa training set	-1	-2	CC(C)(C(=O)[O-])C(C)(C)C(=O)O	CC(C)(C(=O)[O-])C(C)(C)C(=O)[O-]	mol10469	CC(C)(C(=O)O)C(C)(C)C(=O)O