Binary package “chemical-structures-data” in ubuntu oracular

set of molecular structures in open formats

 hundreds of molecular structures, in the following classes: alcohols,
 aldehydes, alkanes, alkenes, amides, amines, amino_acids, aromatics,
 carboxylic_acids, esters, ethers, fatty_acids, haloalkanes, ketones,
 nitriles,nucleobases, water.