pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	OCHEM	1	0	C[NH+](C)CCCC[S@@+]([O-])c1ccccc1	CN(C)CCCC[S@@+]([O-])c1ccccc1	mol259	CN(C)CCCC[S+]([O-])c1ccccc1