pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.78000020980835	QSARToolbox	1	0	O=[N+]([O-])c1cccc2[nH+]ccc(NCCN3CCOCC3)c12,O=[N+]([O-])c1cccc2nccc([NH2+]CCN3CCOCC3)c12,O=[N+]([O-])c1cccc2nccc(NCC[NH+]3CCOCC3)c12	O=[N+]([O-])c1cccc2nccc(NCCN3CCOCC3)c12	mol35938	O=[N+]([O-])c1cccc2nccc(NCCN3CCOCC3)c12