pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	1	0	Nc1cc([NH+]2CCCCC2)nc(N)[n+]1[O-],Nc1cc(N2CCCCC2)nc(N)[n+]1O	Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]	mol29584	Nc1cc(N2CCCCC2)nc(N)[n+]1O