pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.98	Datawarrior	1	0	Cl[C@H]1CC2CC[NH+]1CC2	Cl[C@H]1CC2CCN1CC2	mol13539	ClC1CC2CCN1CC2
6.98000001907349	QSARToolbox	1	0	Cl[C@H]1CC2CC[NH+]1CC2	Cl[C@H]1CC2CCN1CC2	mol13539	ClC1CC2CCN1CC2