pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	Baltruschat ChEMBL	1	0	C[C@@]1(C(F)(F)F)[NH2+]CCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21	C[C@@]1(C(F)(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21	mol18890	CC1(C(F)(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21