pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Baltruschat ChEMBL	0	-1	C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1	C[C@H](CO)Nc1cc([N-]S(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1	mol18185	C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1