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We describe the predominant formation of a specific constitution arising from the combination of building blocks with different topologies through disulphide chemistry in a Dynamic Combinatorial Library (DCL). The supramolecular interactions established by a zwitterionic cysteine moiety are responsible for the self-selection of one product from all the virtual members of a large library.

Graphical abstract: Constitutional self-selection from dynamic combinatorial libraries in aqueous solution through supramolecular interactions

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