pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.86	IUPAC digitized pKa	0	-1	C[C@](S)(CN)Cc1ccccc1,C[C@]([S-])(C[NH3+])Cc1ccccc1	C[C@]([S-])(CN)Cc1ccccc1	mol11415	CC(S)(CN)Cc1ccccc1
8.0	IUPAC digitized pKa	1	0	C[C@](S)(C[NH3+])Cc1ccccc1	C[C@](S)(CN)Cc1ccccc1,C[C@]([S-])(C[NH3+])Cc1ccccc1	mol11415	CC(S)(CN)Cc1ccccc1