pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	AttenGpKa training set	1	0	CC1(C)C=[NH+]c2ccccc21	CC1(C)C=Nc2ccccc21	mol26372	CC1(C)C=Nc2ccccc21