pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13	Hunt	1	0	NC1=[NH+][C@H](c2ccco2)Nc2ccccc21,NC1=N[C@H](c2ccco2)[NH2+]c2ccccc21	NC1=N[C@H](c2ccco2)Nc2ccccc21	mol1981	NC1=N[C@H](c2ccco2)Nc2ccccc21