pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.04	Datawarrior	1	0	NC(=O)[C@@H]1CC2CC[NH+]1CC2	NC(=O)[C@@H]1CC2CCN1CC2	mol13999	NC(=O)C1CC2CCN1CC2
9.03999996185303	QSARToolbox	1	0	NC(=O)[C@@H]1CC2CC[NH+]1CC2	NC(=O)[C@@H]1CC2CCN1CC2	mol13999	NC(=O)C1CC2CCN1CC2