pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	AttenGpKa training set	0	-1	O=C(O)/C=C\c1ccccc1Br	O=C([O-])/C=C\c1ccccc1Br	mol23523	O=C(O)/C=C\c1ccccc1Br