pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	AttenGpKa training set	1	0	CN(C)/C=[NH+]/c1ccc(I)cc1	CN(C)/C=N/c1ccc(I)cc1	mol27976	CN(C)/C=N/c1ccc(I)cc1