pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.04	IUPAC digitized pKa	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
1.23	IUPAC digitized pKa	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
1.3	IUPAC digitized pKa	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
1.75	OCHEM	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
1.73000001907349	QSARToolbox	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
0.46000000834465	QSARToolbox	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
0.8906	AttenGpKa training set	0	-1	O=C(O)C#CC(=O)O	O=C([O-])C#CC(=O)O	mol9117	O=C(O)C#CC(=O)O
2.5	IUPAC digitized pKa	-1	-2	O=C([O-])C#CC(=O)O	O=C([O-])C#CC(=O)[O-]	mol9117	O=C(O)C#CC(=O)O
2.53	IUPAC digitized pKa	-1	-2	O=C([O-])C#CC(=O)O	O=C([O-])C#CC(=O)[O-]	mol9117	O=C(O)C#CC(=O)O
2.58	IUPAC digitized pKa	-1	-2	O=C([O-])C#CC(=O)O	O=C([O-])C#CC(=O)[O-]	mol9117	O=C(O)C#CC(=O)O
2.2282	AttenGpKa training set	-1	-2	O=C([O-])C#CC(=O)O	O=C([O-])C#CC(=O)[O-]	mol9117	O=C(O)C#CC(=O)O