pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.63	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CCCc2ccccc21	N[C@@H]1CCCc2ccccc21	mol3535	NC1CCCc2ccccc21
9.66	Datawarrior	1	0	[NH3+][C@@H]1CCCc2ccccc21	N[C@@H]1CCCc2ccccc21	mol3535	NC1CCCc2ccccc21
9.6599998	OCHEM	1	0	[NH3+][C@@H]1CCCc2ccccc21	N[C@@H]1CCCc2ccccc21	mol3535	NC1CCCc2ccccc21
9.65999984741211	QSARToolbox	1	0	[NH3+][C@@H]1CCCc2ccccc21	N[C@@H]1CCCc2ccccc21	mol3535	NC1CCCc2ccccc21
9.63000011444092	QSARToolbox	1	0	[NH3+][C@@H]1CCCc2ccccc21	N[C@@H]1CCCc2ccccc21	mol3535	NC1CCCc2ccccc21