pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.07999992370606	QSARToolbox	1	0	COc1cc(Cc2cnc(N)nc2[NH3+])cc(OC)c1SC,COc1cc(Cc2cnc([NH3+])nc2N)cc(OC)c1SC,COc1cc(Cc2cnc(N)[nH+]c2N)cc(OC)c1SC,COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1SC	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1SC	mol34035	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1SC