pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.73	Datawarrior	0	-1	O=[N+]([O-])c1cc(C[NH+]2CCCCC2)c([O-])c2ccccc12	O=[N+]([O-])c1cc(CN2CCCCC2)c([O-])c2ccccc12	mol15434	O=[N+]([O-])c1cc(CN2CCCCC2)c(O)c2ccccc12
3.02999997138977	QSARToolbox	1	0	O=[N+]([O-])c1cc(C[NH+]2CCCCC2)c(O)c2ccccc12	O=[N+]([O-])c1cc(C[NH+]2CCCCC2)c([O-])c2ccccc12	mol15434	O=[N+]([O-])c1cc(CN2CCCCC2)c(O)c2ccccc12