pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	IUPAC digitized pKa	1	0	CN1C=[NH+]Cc2ccccc21	CN1C=NCc2ccccc21	mol4620	CN1C=NCc2ccccc21
9.43	AttenGpKa training set	1	0	CN1C=[NH+]Cc2ccccc21	CN1C=NCc2ccccc21	mol4620	CN1C=NCc2ccccc21