pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.98	Datawarrior	0	-1	O=[N+]([O-])c1cc(C[NH+]2CCOCC2)c([O-])c2ccccc12	O=[N+]([O-])c1cc(CN2CCOCC2)c([O-])c2ccccc12	mol15429	O=[N+]([O-])c1cc(CN2CCOCC2)c(O)c2ccccc12
7.98000001907349	QSARToolbox	0	-1	O=[N+]([O-])c1cc(C[NH+]2CCOCC2)c([O-])c2ccccc12	O=[N+]([O-])c1cc(CN2CCOCC2)c([O-])c2ccccc12	mol15429	O=[N+]([O-])c1cc(CN2CCOCC2)c(O)c2ccccc12
3.0	Datawarrior	1	0	O=[N+]([O-])c1cc(C[NH+]2CCOCC2)c(O)c2ccccc12	O=[N+]([O-])c1cc(C[NH+]2CCOCC2)c([O-])c2ccccc12	mol15429	O=[N+]([O-])c1cc(CN2CCOCC2)c(O)c2ccccc12