pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.74	Baltruschat ChEMBL	2	1	[O-][S@@+](Cc1cc(OCc2ccc(C(F)(F)F)cc2)cc[nH+]1)c1[nH]c2cscc2[nH+]1	[O-][S@@+](Cc1cc(OCc2ccc(C(F)(F)F)cc2)ccn1)c1[nH]c2cscc2[nH+]1,[O-][S@@+](Cc1cc(OCc2ccc(C(F)(F)F)cc2)cc[nH+]1)c1nc2cscc2[nH]1	mol20631	[O-][S+](Cc1cc(OCc2ccc(C(F)(F)F)cc2)ccn1)c1nc2cscc2[nH]1