pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.87	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2cc(S(C)(=O)=O)ccc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2cc(S(C)(=O)=O)ccc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(S(C)(=O)=O)ccc12	mol21357	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(S(C)(=O)=O)ccc12