pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	1	0	C[N+](C)(O)c1ccc([N+](=O)[O-])cc1	C[N+](C)([O-])c1ccc([N+](=O)[O-])cc1	mol24800	C[N+](C)(O)c1ccc([N+](=O)[O-])cc1