pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.91	AttenGpKa training set	-1	-2	N[C@@H](O)Cc1c[n-]c2ccccc12,N[C@@H]([O-])Cc1c[nH]c2ccccc12	N[C@@H]([O-])Cc1c[n-]c2ccccc12	mol26455	NC(O)Cc1c[nH]c2ccccc12