pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.46000003814697	QSARToolbox	1	0	CSC12CC[NH+](CC1)CC2	CSC12CCN(CC1)CC2	mol24561	CSC12CCN(CC1)CC2
9.46	AttenGpKa training set	1	0	CSC12CC[NH+](CC1)CC2	CSC12CCN(CC1)CC2	mol24561	CSC12CCN(CC1)CC2