pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.11	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccc(Cl)cc2)cc1	O=[N+]([O-])c1ccc(OS(=O)(=O)[N-]Cc2ccc(Cl)cc2)cc1	mol28782	O=[N+]([O-])c1ccc(OS(=O)(=O)NCc2ccc(Cl)cc2)cc1