pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.06	OCHEM	1	0	CCCCc1c(C)nc(N)[nH+]c1N,CCCCc1c(C)nc([NH3+])nc1N,CCCCc1c(C)nc(N)nc1[NH3+],CCCCc1c(N)nc(N)[nH+]c1C	CCCCc1c(C)nc(N)nc1N	mol33676	CCCCc1c(C)nc(N)nc1N
8.60000038146973	QSARToolbox	1	0	CCCCc1c(C)nc(N)[nH+]c1N,CCCCc1c(C)nc([NH3+])nc1N,CCCCc1c(C)nc(N)nc1[NH3+],CCCCc1c(N)nc(N)[nH+]c1C	CCCCc1c(C)nc(N)nc1N	mol33676	CCCCc1c(C)nc(N)nc1N