pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	0	-1	CC/C=[N+](/[O-])O	CCC=[N+]([O-])[O-]	mol27822	CC/C=[N+](/[O-])O