pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.48000001907349	QSARToolbox	1	0	COc1cc(-c2ncn(CCO)n2)c([NH3+])c(OC)c1OC,COc1cc(-c2nn(CCO)c[nH+]2)c(N)c(OC)c1OC,COc1cc(-c2ncn(CCO)[nH+]2)c(N)c(OC)c1OC	COc1cc(-c2ncn(CCO)n2)c(N)c(OC)c1OC	mol37070	COc1cc(-c2ncn(CCO)n2)c(N)c(OC)c1OC