pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84000015258789	QSARToolbox	1	0	Nc1nc([NH3+])nc(NCCO)n1,Nc1nc(N)nc([NH2+]CCO)n1,Nc1nc(NCCO)nc(N)[nH+]1,Nc1nc(N)[nH+]c(NCCO)n1	Nc1nc(N)nc(NCCO)n1	mol35554	Nc1nc(N)nc(NCCO)n1