pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	QSARToolbox	1	0	CCOc1cc(Cc2cnc(N)nc2[NH3+])cc(OCC)c1-n1cccc1,CCOc1cc(Cc2c[nH+]c(N)nc2N)cc(OCC)c1-n1cccc1,CCOc1cc(Cc2cnc([NH3+])nc2N)cc(OCC)c1-n1cccc1,CCOc1cc(Cc2cnc(N)[nH+]c2N)cc(OCC)c1-n1cccc1	CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1	mol34036	CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1