pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.19999980926514	QSARToolbox	1	0	COc1ccc(Cc2cnc([NH3+])nc2N)c(OC)n1,COc1ccc(Cc2cnc(N)nc2[NH3+])c(OC)n1,COc1ccc(Cc2cnc(N)nc2N)c(OC)[nH+]1,COc1ccc(Cc2cnc(N)[nH+]c2N)c(OC)n1,COc1ccc(Cc2c[nH+]c(N)nc2N)c(OC)n1	COc1ccc(Cc2cnc(N)nc2N)c(OC)n1	mol34034	COc1ccc(Cc2cnc(N)nc2N)c(OC)n1