pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.94	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2ccncc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc[nH+]cc12,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2ccncc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccncc12	mol21348	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccncc12