pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5	QSARToolbox	0	-1	O=[N+]([O-])c1ccc(/N=N/c2cc3c([O-])c(c2)CCC[NH+]2CCOCCN(CCC3)CCOCC2)cc1,O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)CCCN2CCOCCN(CCC3)CCOCC2)cc1	O=[N+]([O-])c1ccc(/N=N/c2cc3c([O-])c(c2)CCCN2CCOCCN(CCC3)CCOCC2)cc1	mol37480	O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)CCCN2CCOCCN(CCC3)CCOCC2)cc1