pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	AttenGpKa training set	-1	-2	C[C@@]1(O)C=Nc2cnc(O)nc2[N-]1,C[C@@]1(O)C=Nc2cnc([O-])nc2N1	C[C@@]1([O-])C=Nc2cnc(O)nc2[N-]1,C[C@@]1(O)C=Nc2cnc([O-])nc2[N-]1,C[C@@]1([O-])C=Nc2cnc([O-])nc2N1	mol26235	CC1(O)C=Nc2cnc(O)nc2N1