pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.85	OCHEM	1	0	CSCC[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	CSCCNCc1cc2cc(S(N)(=O)=O)sc2s1	mol16642	CSCCNCc1cc2cc(S(N)(=O)=O)sc2s1