pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	IUPAC digitized pKa	1	0	CN1C=[NH+]c2ccccc2C1	CN1C=Nc2ccccc2C1	mol4622	CN1C=Nc2ccccc2C1
9.23	AttenGpKa training set	1	0	CN1C=[NH+]c2ccccc2C1	CN1C=Nc2ccccc2C1	mol4622	CN1C=Nc2ccccc2C1