pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	IUPAC digitized pKa	1	0	CC(=NO)C(C)(C)CCCCC[NH3+]	CC(=N[O-])C(C)(C)CCCCC[NH3+],CC(=NO)C(C)(C)CCCCCN	mol3253	CC(=NO)C(C)(C)CCCCCN
9.11999988555908	QSARToolbox	1	0	CC(=NO)C(C)(C)CCCCC[NH3+]	CC(=N[O-])C(C)(C)CCCCC[NH3+],CC(=NO)C(C)(C)CCCCCN	mol3253	CC(=NO)C(C)(C)CCCCCN