pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0	AttenGpKa training set	-1	-2	CC1=Nc2cnc(O)nc2N[C-]1O,CC1=Nc2cnc([O-])nc2N[C@@H]1O,CC1=Nc2cnc(O)nc2[N-][C@@H]1O	CC1=Nc2cnc([O-])nc2N[C-]1O,CC1=Nc2cnc(O)nc2[N-][C@@H]1[O-],CC1=Nc2cnc(O)nc2[N-][C-]1O,CC1=Nc2cnc([O-])nc2[N-][C@@H]1O,CC1=Nc2cnc(O)nc2N[C-]1[O-]	mol26238	CC1=Nc2cnc(O)nc2NC1O