pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.21	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CCc2ccccc21	N[C@@H]1CCc2ccccc21	mol3515	NC1CCc2ccccc21
9.1899995803833	QSARToolbox	1	0	[NH3+][C@@H]1CCc2ccccc21	N[C@@H]1CCc2ccccc21	mol3515	NC1CCc2ccccc21
9.23999977111816	QSARToolbox	1	0	[NH3+][C@@H]1CCc2ccccc21	N[C@@H]1CCc2ccccc21	mol3515	NC1CCc2ccccc21
9.21000003814697	QSARToolbox	1	0	[NH3+][C@@H]1CCc2ccccc21	N[C@@H]1CCc2ccccc21	mol3515	NC1CCc2ccccc21