pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09000015258789	QSARToolbox	1	0	COc1cc(Cc2c(N)nc([NH3+])nc2SC)cc(OC)c1OC,COc1cc(Cc2c([NH3+])nc(N)nc2SC)cc(OC)c1OC,COc1cc(Cc2c(N)nc(N)[nH+]c2SC)cc(OC)c1OC,COc1cc(Cc2c(SC)nc(N)[nH+]c2N)cc(OC)c1OC	COc1cc(Cc2c(N)nc(N)nc2SC)cc(OC)c1OC	mol37059	COc1cc(Cc2c(N)nc(N)nc2SC)cc(OC)c1OC