pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.78	AttenGpKa training set	1	0	[2H]C([2H])([2H])[NH2+]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	[2H]C([2H])([2H])Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol24004	[2H]C([2H])([2H])Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]