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  • Please specify the rationale in some detail (by eye, docking, FEP, ...)
  • Add any notes or special considerations regarding your compound (complex sythesis required, past experience, ...)
  • If there are other compounds related to your main structure, submit them as a comma separated list of SMILES
  • Please specify which molecules were used as inspiration
  • A PDB of the bound structure from simulations is optional