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Import Small Molecule Compounds from a Spreadsheet

If you have your compound data in an .xlsx spreadsheet, here's how to format it for import and bring that data into Rowan

Laura Berwick avatar
Written by Laura Berwick
Updated over a week ago

This article covers the following topics:

  • Importing Compounds from a Spreadsheet

  • Now What?

Importing Compounds from a Spreadsheet

  1. Collect or arrange your compounds in an .xlsx spreadsheet with:

    1. Your internal compound reference number in the first column (required)

    2. The molecular drawing image or SMILES code in the second column (required)

    3. The compound weight in the third column (optional)

    4. The systematic name in the fourth column (optional)

  2. Open the Compounds Manager.

  3. Click the Import Compounds control in the toolbar or select the option from the Compounds menu.

  4. Select and copy the desired data in your spreadsheet.

  5. Paste your copied data into the Import Compounds dialog.

    Note that any copied and pasted columns beyond the first four will be ignored.

  6. Review your pasted data.

  7. Click the Import Compounds button if the data meets your needs.

  8. Numbering is automatically assigned for use in Compound or Example labels. Compounds can be reordered in the Compound Manager to adjust numbering as desired.

Now What?

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