pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.619	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.7	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.632	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.608	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.6	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.594	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.591	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.62	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
5.15	OCHEM	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.65	OCHEM	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.6595	OCHEM	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.61999988555908	QSARToolbox	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.61899995803833	QSARToolbox	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O
2.70000004768372	QSARToolbox	0	-1	O=C(O)c1cc(I)ccc1O	O=C([O-])c1cc(I)ccc1O	mol10080	O=C(O)c1cc(I)ccc1O