Search for Species Data by Structure or Substructure

There are three structure search options available:

  1. Use applet to draw a structure.
    This option requires a Java capable browser.
  2. Submit a mol (MDL) file containing the structure. This option requires a browser which can upload files.
  3. Specify structure properties and subgroups in a form.

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NIST, National Institute of Standards and Technology Standard Reference
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