pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCBr	O=C([O-])CCCBr	mol21795	O=C(O)CCCBr
4.59	AttenGpKa training set	0	-1	O=C(O)CCCBr	O=C([O-])CCCBr	mol21795	O=C(O)CCCBr