pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	AttenGpKa training set	0	-1	CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1-c1ccccc1	CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1-c1ccccc1	mol28607	CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1-c1ccccc1