pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.47	AttenGpKa training set	0	-1	CN1C=Nc2ccccc2[C@@H]1O	CN1C=Nc2ccccc2[C@@H]1[O-]	mol4617	CN1C=Nc2ccccc2C1O
7.62	IUPAC digitized pKa	1	0	CN1C=[NH+]c2ccccc2[C@@H]1O	CN1C=Nc2ccccc2[C@@H]1O	mol4617	CN1C=Nc2ccccc2C1O