pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	OCHEM	1	0	CO[S@+]1C[C@](CCc2ccccc2)(NS(=O)(=O)c2ccccc2)C1	CO[S@+]1C[C@](CCc2ccccc2)([N-]S(=O)(=O)c2ccccc2)C1	mol32940	CO[S+]1CC(CCc2ccccc2)(NS(=O)(=O)c2ccccc2)C1