pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	OCHEM	1	0	COCC[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	COCCNCc1cc2cc(S(N)(=O)=O)sc2s1	mol16614	COCCNCc1cc2cc(S(N)(=O)=O)sc2s1