pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.89	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccccc2Cl)cc1	O=[N+]([O-])c1ccc(OS(=O)(=O)[N-]Cc2ccccc2Cl)cc1	mol28781	O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccccc2Cl)cc1