pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	0	-1	COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12	COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)[N-]c3nccs3)ccc12	mol17981	COc1cc(C(F)(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12