pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	IUPAC digitized pKa	1	0	CO[C@@H]1C(C=O)=C(CO)C=[NH+][C@H]1C	CO[C@@H]1C(C=O)=C(CO)C=N[C@H]1C	mol8601	COC1C(C=O)=C(CO)C=NC1C