pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.095	IUPAC digitized pKa	0	-1	O=C(O)/C=C/C(=O)O	O=C([O-])/C=C/C(=O)O	mol9122	O=C(O)/C=C/C(=O)O
3.557	IUPAC digitized pKa	0	-1	O=C(O)/C=C/C(=O)O	O=C([O-])/C=C/C(=O)O	mol9122	O=C(O)/C=C/C(=O)O
4.602	IUPAC digitized pKa	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
5.025	IUPAC digitized pKa	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
3.1	OCHEM	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
4.44000005722046	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
3.01999998092651	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
4.44999980926514	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
4.32000017166138	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
4.38000011444092	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
3.02999997138977	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
3.20000004768372	QSARToolbox	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
3.1465	AttenGpKa training set	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O
4.44275	AttenGpKa training set	-1	-2	O=C([O-])/C=C/C(=O)O	O=C([O-])/C=C/C(=O)[O-]	mol9122	O=C(O)/C=C/C(=O)O