pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	AttenGpKa training set	0	-1	O=C1C=C(O)[C@@H](Cc2ccc(Br)cc2)C1	O=C1C=C([O-])[C@@H](Cc2ccc(Br)cc2)C1	mol31271	O=C1C=C(O)C(Cc2ccc(Br)cc2)C1