pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1cccc(I)c1	O=C([O-])Cc1cccc(I)c1	mol1257	O=C(O)Cc1cccc(I)c1
4.15999984741211	QSARToolbox	0	-1	O=C(O)Cc1cccc(I)c1	O=C([O-])Cc1cccc(I)c1	mol1257	O=C(O)Cc1cccc(I)c1