pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.97	IUPAC digitized pKa	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	mol11786	Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
6.885	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	mol11786	Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1