pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.60999965667725	QSARToolbox	1	0	ClC12CC[NH+](CC1)CC2	ClC12CCN(CC1)CC2	mol24534	ClC12CCN(CC1)CC2
8.695	AttenGpKa training set	1	0	ClC12CC[NH+](CC1)CC2	ClC12CCN(CC1)CC2	mol24534	ClC12CCN(CC1)CC2