pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.94	AttenGpKa training set	1	0	COc1ccc(/C(C)=[NH+]/N)cc1,COc1ccc(/C(C)=N/[NH3+])cc1	COc1ccc(/C(C)=N/N)cc1	mol24775	COc1ccc(/C(C)=N/N)cc1