pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1	mol20952	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1
9.18	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1	mol20952	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)c(F)c1