pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.87	OCHEM	1	0	OC[C@H]1CC[NH+]2CCC[C@H]12	OC[C@H]1CCN2CCC[C@H]12	mol30246	OCC1CCN2CCCC12
10.88	AttenGpKa training set	1	0	OC[C@H]1CC[NH+]2CCC[C@H]12	OC[C@H]1CCN2CCC[C@H]12	mol30246	OCC1CCN2CCCC12