pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.75	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.761	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.742	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.736	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.733	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.732	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.82999992370605	QSARToolbox	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
2.83	AttenGpKa training set	0	-1	O=C(O)c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1O	mol10079	O=C(O)c1ccc(I)cc1O
11.9	AttenGpKa training set	-1	-2	O=C([O-])c1ccc(I)cc1O	O=C([O-])c1ccc(I)cc1[O-]	mol10079	O=C(O)c1ccc(I)cc1O