pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.83	IUPAC digitized pKa	1	0	OC[C@H]1CC[NH+]2CCC[C@@H]12	OC[C@H]1CCN2CCC[C@@H]12	mol5198	OC[C@H]1CCN2CCC[C@@H]12
10.87	Datawarrior	1	0	OC[C@H]1CC[NH+]2CCC[C@@H]12	OC[C@H]1CCN2CCC[C@@H]12	mol5198	OC[C@H]1CCN2CCC[C@@H]12
10.8699998855591	QSARToolbox	1	0	OC[C@H]1CC[NH+]2CCC[C@@H]12	OC[C@H]1CCN2CCC[C@@H]12	mol5198	OC[C@H]1CCN2CCC[C@@H]12