pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	AttenGpKa training set	0	-1	COc1cc([C@@H](CO)[NH+](C)C)ccc1[O-],COc1cc([C@@H](CO)N(C)C)ccc1O	COc1cc([C@@H](CO)N(C)C)ccc1[O-]	mol24310	COc1cc(C(CO)N(C)C)ccc1O
9.52	AttenGpKa training set	0	-1	COc1cc([C@@H](CO)[NH+](C)C)ccc1[O-],COc1cc([C@@H](CO)N(C)C)ccc1O	COc1cc([C@@H](CO)N(C)C)ccc1[O-]	mol24310	COc1cc(C(CO)N(C)C)ccc1O