pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	AttenGpKa training set	0	-1	OCC(F)(F)C(F)(F)C(F)(F)F	[O-]CC(F)(F)C(F)(F)C(F)(F)F	mol31217	OCC(F)(F)C(F)(F)C(F)(F)F