pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	OCHEM	0	-1	CC(O)(C(F)(F)F)C(F)(F)F	CC([O-])(C(F)(F)F)C(F)(F)F	mol427	CC(O)(C(F)(F)F)C(F)(F)F
9.55	AttenGpKa training set	0	-1	CC(O)(C(F)(F)F)C(F)(F)F	CC([O-])(C(F)(F)F)C(F)(F)F	mol427	CC(O)(C(F)(F)F)C(F)(F)F