pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.67	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1	Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	mol28618	Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1