pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	IUPAC digitized pKa	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.05	IUPAC digitized pKa	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.12	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.07	OCHEM	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.36	OCHEM	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.04999995231628	QSARToolbox	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.0699999332428	QSARToolbox	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.11999988555908	QSARToolbox	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.5	QSARToolbox	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
3.01	AttenGpKa training set	0	-1	CC(C(=O)O)C(=O)O	CC(C(=O)[O-])C(=O)O	mol9130	CC(C(=O)O)C(=O)O
5.78	IUPAC digitized pKa	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
5.76	IUPAC digitized pKa	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
5.5	OCHEM	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
5.76000022888184	QSARToolbox	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
3.70000004768372	QSARToolbox	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
5.78000020980835	QSARToolbox	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
5.86999988555908	QSARToolbox	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O
5.61	AttenGpKa training set	-1	-2	CC(C(=O)[O-])C(=O)O	CC(C(=O)[O-])C(=O)[O-]	mol9130	CC(C(=O)O)C(=O)O