pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	OCHEM	0	-1	CC(C)(C)c1cc(/C=C/c2n[nH]c(S)n2)cc(C(C)(C)C)c1O	CC(C)(C)c1cc(/C=C/c2n[nH]c(S)n2)cc(C(C)(C)C)c1[O-],CC(C)(C)c1cc(/C=C/c2n[nH]c([S-])n2)cc(C(C)(C)C)c1O,CC(C)(C)c1cc(/C=C/c2n[n-]c(S)n2)cc(C(C)(C)C)c1O	mol32124	CC(C)(C)c1cc(/C=C/c2n[nH]c(S)n2)cc(C(C)(C)C)c1O