A set of 5,000 molecules based on 250 scaffolds that contain the 'BioCore' motif is similar to NPs such as nicotine and anabasine etc. These scaffolds each have an intrinsic point of diversity and have a good balance between lipophilicity and solubility.

A set of 2,000 small molecules based on 25 unprecedented oxygen-enriched saturated scaffolds that have in-built points of diversity. The skeletons of natural products are often formed by saturated, fused rigid, oxygen-enriched ring systems.

A set of 2000 molecules based on 40 unprecedented scaffolds containing a 'spiro' framework as a central core. The spiro motif is a prominent element which can be found in many interesting biologically-active molecules and natural products.

A set of 2500 molecules based on 40 unprecedented scaffolds containing a saturated aza-bicyclic system and closely mimic some biologically relevant NPs such as alkaloids and endogenic peptides. These molecules may effectively modulate challenging biological processes.

A set of 500 unprecedented diverse molecules with a specific 3D-geometry which enables the coverage of under-explored 'Eastern' part of the shape universe. 3D molecules are likely to be useful tools for hit generation against difficult targets.

A subset of 8,000 compounds from BioFragments and F2L which may facilitate the bypassing of biophysical FBS techniques due to an exceptionally high solubility cut-off. We have filtered our entire F2L set of fragments by Sol. DMSO > 100 mM and H20 > 1000 uM.