MATCH (mol:Molecule)-[x:FIT]->(csite:Cluster_mol_site)
WITH mol, count(csite) as ncsite
WHERE (ncsite > 60)
RETURN mol

WITH -0.25 as efficiency_max, -8 as affinity_max
MATCH (mol:Molecule)-[x:FIT]->(csite:Cluster_mol_site)
WHERE (x.efficiency < efficiency_max) AND (x.affinity < affinity_max)
WITH mol, count(csite) as c, collect(csite.id) as Lcsite WHERE c >= 40
RETURN mol.id as inchikey, Lcsite

Exemple de la molécule 5: