pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	OCHEM	1	0	COCCOCCC[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	COCCOCCCNCc1cc2cc(S(N)(=O)=O)sc2s1	mol16623	COCCOCCCNCc1cc2cc(S(N)(=O)=O)sc2s1