pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.12	OCHEM	0	-1	CC(C)(C)c1cc(S(=O)(=O)O)cc(C(C)(C)C)n1,CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C(C)(C)C)[nH+]1	CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C(C)(C)C)n1	mol33242	CC(C)(C)c1cc(S(=O)(=O)O)cc(C(C)(C)C)n1