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Compound Results

View the compounds that matched your structure search query. At the top of the page appears the search statement that retrieved the results, including the selected reactant option.

The actual number of compounds found by the search appears at the top of the page. If, however, your hit count is greater than 500, then only 500 compounds are available for viewing. You can use the navigation buttons to view compound records. For example:

Results: 650 (500 shown)

Each compound is accompanied by two links: a link to the Compound Details page and a link to the Full Record page.

If you want to print a compound record from this page, select the compound(s), and then click the Print button.

If your search also retrieved reactions, then click Go to Reaction Results button to view the reaction records.

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Output Records

Output options are available from the Compound Results and Reaction Results Record pages in the Structure Search function.

  1. Select the check box of each record to include in the output. You can also select all records on the page or a range of records. For example, 5 to 25.

  2. Select an output option: Print, E-mail, Save to File, or Add to Marked List.

Note: From the Reaction Results page, you can save your records to an RD file. From the Compound Results page, you can save your records to an SD file.

See Output Records for more information about these options.

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Compounds Marked List

You can add compound records to your Compounds Marked List and later print them, e-mail them, or save them to an SD file,

  1. Select the check box of each compound record that you want to add to your Compounds Marked List. You can also select all records on the page or a range of records. For example, 5 to 25.

  2. Click the Marked List Marked List icon icon that appears over the first record in the list to add the selected records to your Compounds Marked List.

  3. Click the Marked List link that appears in the menu bar at the top of the page to go to the Compounds Marked List page.

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Copying and Pasting Chemical Structures

You can copy a chemical structure from this page, and then paste the image in the Structure Drawing box in order to create and modify new chemical structures.

  1. Right-click inside the structure to bring up a contextual menu.

  2. Select the Copy option.

  3. Paste the copied structure in the Structure Drawing box on the search page in order to create a new chemical search query.

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Save to SD File

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You can save compound records to an SD (structure-data file) file from the Compound Results page. An SD file contains the compound's connection table, along with associated data for one or more compounds.

You can open an SD file in WordPad or you can use any chemical software tool to import the file.

For more information about SD files, go to the Accelrys CTfile Formats page and request a free copy of their "CTfile Formats" document.

Note: This file format was developed by MDL Information Systems, Inc. It is only available to customers who subscribe to the Structure Search function in Web of Science.

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Accessing Reaction Records

If your search retrieved reaction records as well as compound records, click the Go to Reaction Results button at the top of the page to view the retrieved reaction records.

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Keep in mind that if your institution subscribes to both the Index Chemicus and the Current Chemical Reactions databases, then a Compound Data search will create two sets of results: a set of compound records and a set of substructure reaction records.

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Problems with Viewing Chemical Structures in Firefox

When using Firefox, you may sometimes see a blank chemical structure image appear on the following pages.

  • Compound Results
  • Compound Details
  • Reaction Results
  • Reaction Details

To fix this problem, press the F5 key to refresh the page in order to view the chemical structure.

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