pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.88	IUPAC digitized pKa	1	0	C[S@+]([O-])c1cc[nH+]c2ccccc12	C[S@+]([O-])c1ccnc2ccccc12	mol7769	C[S+]([O-])c1ccnc2ccccc12