pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	OCHEM	1	0	CC(C)C[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	CC(C)CNCc1cc2cc(S(N)(=O)=O)sc2s1	mol16626	CC(C)CNCc1cc2cc(S(N)(=O)=O)sc2s1