pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	IUPAC digitized pKa	0	-1	O=C(O)[C@H](O)c1ccc(I)cc1	O=C([O-])[C@H](O)c1ccc(I)cc1	mol10561	O=C(O)C(O)c1ccc(I)cc1
3.14000010490417	QSARToolbox	0	-1	O=C(O)[C@H](O)c1ccc(I)cc1	O=C([O-])[C@H](O)c1ccc(I)cc1	mol10561	O=C(O)C(O)c1ccc(I)cc1