pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc(I)cc1	O=C([O-])Cc1ccc(I)cc1	mol1260	O=C(O)Cc1ccc(I)cc1
4.17999982833862	QSARToolbox	0	-1	O=C(O)Cc1ccc(I)cc1	O=C([O-])Cc1ccc(I)cc1	mol1260	O=C(O)Cc1ccc(I)cc1
4.17	AttenGpKa training set	0	-1	O=C(O)Cc1ccc(I)cc1	O=C([O-])Cc1ccc(I)cc1	mol1260	O=C(O)Cc1ccc(I)cc1