Fig. 1

Structural formulae and SMILES strings of some compounds from the COD. a Caffeine as an example of compound with arguable aromaticity. b A coordination compound including neutral and anionic donor atoms. c An example of borane cage compound. d An organometallic with η-6 and carbonyl ligands. e A pure enantiomer of a chiral compound. f) Both enantiomers of a compound present in a racemic crystal