pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	1	0	COc1nc(O)cc[n+]1[C@H]1O[C@H](CO)[C@@H]2O[C@@H]21	COc1nc([O-])cc[n+]1[C@H]1O[C@H](CO)[C@@H]2O[C@@H]21	mol29639	COc1nc(O)cc[n+]1C1OC(CO)C2OC21