Search for Species Data by Structure File

Please follow the following steps to upload a file containing a mol (MDL) file of the structure or substructure you wish to search for. If you are searching for the first time, please read the notes provided below.

  1. Select the search type:

  2. Select the desired units for thermodynamic data:
  3. Select the desired type(s) of data:
    Thermodynamic Data Other Data


© 2016 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.

If you have comments or questions about this site, please contact us.