pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.70000004768372	QSARToolbox	0	-1	Fc1c(F)c(F)c(S)c(F)c1F	Fc1c(F)c(F)c([S-])c(F)c1F	mol28238	Fc1c(F)c(F)c(S)c(F)c1F
2.59999990463257	QSARToolbox	0	-1	Fc1c(F)c(F)c(S)c(F)c1F	Fc1c(F)c(F)c([S-])c(F)c1F	mol28238	Fc1c(F)c(F)c(S)c(F)c1F
2.68	AttenGpKa training set	0	-1	Fc1c(F)c(F)c(S)c(F)c1F	Fc1c(F)c(F)c([S-])c(F)c1F	mol28238	Fc1c(F)c(F)c(S)c(F)c1F