Signals Notebook: How to Populate the SMILES Column in System Salts and Solvates Lists

Audience: Administrators of Signals Notebook

Issue

In Signals Configuration under System Settings > Salts and Solvates, the System Salts List and System Solvates List include a SMILES column. Depending on the configuration of your tenant when it was created, this column may appear empty.

Solution

You can populate the SMILES column by downloading the system’s default Salts and Solvates lists in CSV format and importing them into your tenant.

⚠️ Important:

• This process replaces the entire Salts or Solvates list with the contents of the CSV file you upload.
• There is no undo option for this action.
• Always take a backup of your current list before proceeding.

Steps to Populate the SMILES Column for Salts

1. Log in to Signals Configuration as an administrator.
2. Navigate to System Settings > Salts and Solvates > Salts.
3. Check the SMILES column: If it is empty, proceed to the next step.
4. Open the Table Settings menu: Click the cog icon at the top-left of the table.
5. Export the system’s default Salts list: Select Export System Salts to.csv. This file contains the default list with the SMILES column populated.
6. Export your current Salts list: Select Export All Salts to.csv. This file serves as a backup of your existing list.
7. Open the Table Settings menu again: Click the cog icon.
8. Bulk update the Salts list: Select Bulk Update Salts and choose the system salts CSV file you downloaded in Step 5.
9. Complete the update: Click the Update button. The system will display the results of the import.

Steps to Populate the SMILES Column for Solvates

1. Log in to Signals Configuration as an administrator.
2. Navigate to System Settings > Salts and Solvates > Solvates.
3. Check the SMILES column: If it is empty, proceed to the next step.
4. Open the Table Settings menu: Click the cog icon at the top-left of the table.
5. Export the system’s default Solvates list: Select Export System Solvates to.csv. This file contains the default list with the SMILES column populated.
6. Export your current Solvates list: Select Export All Solvates to.csv. This file serves as a backup of your existing list.
7. Open the Table Settings menu again: Click the cog icon.
8. Bulk update the Solvates list: Select Bulk Update Solvates and choose the system solvates CSV file you downloaded in Step 5.
9. Complete the update: Click the Update button. The system will display the results of the import.

Verify the Update

After importing the default lists:

• Compare the updated Salts and Solvates lists with your backup CSV files to ensure no unintended changes were made.
• Check the SMILES column to confirm it is now populated with the correct values.