pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.02	AttenGpKa training set	0	-1	CC1(O)OC(C)(C)C(C)(C)O1	CC1([O-])OC(C)(C)C(C)(C)O1	mol31172	CC1(O)OC(C)(C)C(C)(C)O1