pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.54	Datawarrior	0	-1	O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCCCC2)c1	O=[N+]([O-])c1ccc([O-])c(CN2CCCCC2)c1	mol15166	O=[N+]([O-])c1ccc(O)c(CN2CCCCC2)c1
5.88	Datawarrior	1	0	O=[N+]([O-])c1ccc(O)c(C[NH+]2CCCCC2)c1	O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCCCC2)c1	mol15166	O=[N+]([O-])c1ccc(O)c(CN2CCCCC2)c1
5.8800001	OCHEM	1	0	O=[N+]([O-])c1ccc(O)c(C[NH+]2CCCCC2)c1	O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCCCC2)c1	mol15166	O=[N+]([O-])c1ccc(O)c(CN2CCCCC2)c1
5.88000011444092	QSARToolbox	1	0	O=[N+]([O-])c1ccc(O)c(C[NH+]2CCCCC2)c1	O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCCCC2)c1	mol15166	O=[N+]([O-])c1ccc(O)c(CN2CCCCC2)c1