pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.06	AttenGpKa training set	-1	-2	COc1ccc(C(=O)NC[O-])cc1,COc1ccc(C(=O)[N-]CO)cc1	COc1ccc(C(=O)[N-]C[O-])cc1	mol27226	COc1ccc(C(=O)NCO)cc1