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](N)CO)ccc1O,COc1cc([C@H]([NH3+])CO)ccc1[O-]	COc1cc([C@H](N)CO)ccc1[O-]	mol24289	COc1cc(C(N)CO)ccc1O
9.56	AttenGpKa training set	0	-1	COc1cc([C@H](N)CO)ccc1O,COc1cc([C@H]([NH3+])CO)ccc1[O-]	COc1cc([C@H](N)CO)ccc1[O-]	mol24289	COc1cc(C(N)CO)ccc1O