pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.71	IUPAC digitized pKa	1	0	CCCC[NH+](C)[C@@H]1CCc2ccccc2C1	CCCCN(C)[C@@H]1CCc2ccccc2C1	mol3537	CCCCN(C)C1CCc2ccccc2C1
9.71000003814697	QSARToolbox	1	0	CCCC[NH+](C)[C@@H]1CCc2ccccc2C1	CCCCN(C)[C@@H]1CCc2ccccc2C1	mol3537	CCCCN(C)C1CCc2ccccc2C1