pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.06	AttenGpKa training set	0	-1	Cc1cc(S(N)(=O)=O)ccc1F	Cc1cc(S([NH-])(=O)=O)ccc1F	mol28352	Cc1cc(S(N)(=O)=O)ccc1F
