pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26000022888184	QSARToolbox	1	0	COC12CC[NH+](CC1)CC2	COC12CCN(CC1)CC2	mol24521	COC12CCN(CC1)CC2
9.355	AttenGpKa training set	1	0	COC12CC[NH+](CC1)CC2	COC12CCN(CC1)CC2	mol24521	COC12CCN(CC1)CC2