pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.77	IUPAC digitized pKa	0	-1	CC(C)(S)CN,CC(C)([S-])C[NH3+]	CC(C)([S-])CN	mol9254	CC(C)(S)CN
11.0	Datawarrior	0	-1	CC(C)(S)CN,CC(C)([S-])C[NH3+]	CC(C)([S-])CN	mol9254	CC(C)(S)CN
8.07	IUPAC digitized pKa	1	0	CC(C)(S)C[NH3+]	CC(C)(S)CN,CC(C)([S-])C[NH3+]	mol9254	CC(C)(S)CN
8.48	Datawarrior	1	0	CC(C)(S)C[NH3+]	CC(C)(S)CN,CC(C)([S-])C[NH3+]	mol9254	CC(C)(S)CN
8.4799995	OCHEM	1	0	CC(C)(S)C[NH3+]	CC(C)(S)CN,CC(C)([S-])C[NH3+]	mol9254	CC(C)(S)CN
8.47999954223633	QSARToolbox	1	0	CC(C)(S)C[NH3+]	CC(C)(S)CN,CC(C)([S-])C[NH3+]	mol9254	CC(C)(S)CN