pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.94	IUPAC digitized pKa	0	-1	CC[C@@](C)(S)CN,CC[C@@](C)([S-])C[NH3+]	CC[C@@](C)([S-])CN	mol9468	CCC(C)(S)CN
8.19	IUPAC digitized pKa	1	0	CC[C@@](C)(S)C[NH3+]	CC[C@@](C)(S)CN,CC[C@@](C)([S-])C[NH3+]	mol9468	CCC(C)(S)CN