#40 KCF file format

[Anonymous]

The format looks close to the mol format so conversion
should be easy.

You should be able to find more information in:
Hattori, M., Okuno, Y., Goto, S., and Kanehisa, M.,
"Development of a chemical structure comparison method
for integrated analysis of chemical and genomic
information in the metabolic pathways", Journal of
American Chemical Society, 125:11853-11865 (2003).
[PMID:14505407]

or maybe on the kegg site.

To get samples you can go to:
http://www.genome.jp/kegg/ligand.html
and search for common drugs (e.g. aspirin) or go to:
http://www.genome.jp/kegg/brite.html
and just explore anything related to ligands, compounds
or drugs.

[Anonymous]

mol2kcf source

ftp://ftp.genome.jp/pub/tools/simcomp/kcfco-1.1.2.tar.gz