pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.33	OCHEM	0	-1	O=C(O)[C@H](Br)CBr	O=C([O-])[C@H](Br)CBr	mol22482	O=C(O)C(Br)CBr
2.17	AttenGpKa training set	0	-1	O=C(O)[C@H](Br)CBr	O=C([O-])[C@H](Br)CBr	mol22482	O=C(O)C(Br)CBr