pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.35000038146973	QSARToolbox	1	0	COC(C[NH3+])OC	COC(CN)OC	mol24385	COC(CN)OC
8.7	AttenGpKa training set	1	0	COC(C[NH3+])OC	COC(CN)OC	mol24385	COC(CN)OC