pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.39000010490417	QSARToolbox	2	1	Cc1c(O)c(/C=N/Nc2ccccn2)c(C[OH2+])c[n+]1C,Cc1c(O)c(/C=[NH+]/Nc2ccccn2)c(CO)c[n+]1C,Cc1c(O)c(/C=N/Nc2cccc[nH+]2)c(CO)c[n+]1C,Cc1c(O)c(/C=N/[NH2+]c2ccccn2)c(CO)c[n+]1C	Cc1c(O)c(/C=N/Nc2ccccn2)c(CO)c[n+]1C,Cc1c([O-])c(/C=N/Nc2cccc[nH+]2)c(CO)c[n+]1C	mol37867	Cc1c(O)c(/C=N/Nc2ccccn2)c(CO)c[n+]1C