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Overview

After completing your virtual screening campaign and identifying promising candidates, you can seamlessly transition from in silico predictions to compound procurement. The small molecule agent within Boltz Lab searches Enamine’s synthesis-on-demand services, any molecule generated can be purchased from the Enamine REAL Space (~75B compounds).
All generative screens using “Enamine REAL Space” chemical space filtering produce molecules that are theoretically synthesizable through Enamine’s building block library.
If you have you have your own synthesis team, you can synthesize molecules yourself. Using the small molecule agent does not obligate purchasing.

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Workflow: From Results to Purchase

1

Triage Your Results

Use the Table or Triage UI to collaboratively evaluate your virtual screen output:
  • Upvote molecules you favor based on predicted binding and properties
  • Flag molecules for team discussion or further analysis
  • Tag molecules with contextual labels (e.g., “high-affinity”, “lead-like”)
Use keyboard shortcuts for rapid triage: ←→ to navigate, 3 for upvote+flag, 2 for flag, 1 for downvote
2

Add to Catalog

After triage and team review, mark your final selection as ‘active’ by clicking the ⭐ star icon:
  • In the Table view: Click the star in the “ID and Tags” column
  • In the Triage UI: Use the star action button
Active molecules are automatically added to your Design Project Catalog.
3

Review Catalog

Navigate to the Catalog from your Design Project dashboard to view all active molecules across your experiments.
Design project catalog showing selected molecules
The **Catalog **functions as your curated shortlist of molecules for procurement and provides the same filtering and analysis tools as the Results Table.
4

Download Your Selection

From the Catalog:
  1. Select molecules using the checkboxes (or select all)
  2. Click the Download button in the top menu
  3. Export as TSV format
The file will contain SMILES strings and all associated prediction data for your selected molecules.
5

Contact Enamine for Quote

Send your exported SMILES strings to Enamine using the contact information below. Include:
  • SMILES strings from your downloaded file
  • Quantities required for each compound
  • Purity specifications (if applicable)
  • Timeline for delivery
Enamine will provide a quote for synthesis and timeline estimates.

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Enamine Contact Information

USA & Canada

Enamine US Inc.Phone: (732) 274 9150Toll Free: +1 888 745 6132Email: sales_usa@enamine.net

Europe

Enamine LV SIAPhone: +371 29 473 022Email: sales_europe@enamine.net

Asia Pacific

Enamine LTDPhone: +380 44 333 5601Email: info@enamine.net

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Important Notes

Enamine REAL Space vs. Website:Boltz Lab screens the complete ~75 billion compound Enamine REAL virtual space. The Enamine website displays only a subset of this library.If you cannot find your molecule on the Enamine website, this is normal. Email Enamine directly with your SMILES strings to confirm availability and obtain accurate quotes.
Synthesis Timeline:Most compounds from the REAL Space can be synthesized on-demand within 3-6 weeks, depending on complexity and quantity. Enamine will provide specific timelines when you request a quote.
Ordering Best Practices:
  • Start with small quantities (2-10 mg) for initial validation experiments
  • Request standard purity (≥90%) unless high purity (≥95%) is essential for your assays
  • Order in batches to optimize shipping costs
  • Plan ahead - allow 4-8 weeks from quote to delivery for typical orders

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Alternative Procurement Options

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Custom Library Screening

If you have preferred compound vendors or internal libraries:
  1. Export molecules from your Catalog as CSV
  2. Share SMILES strings with your preferred synthesis provider
  3. Many CRO partners can synthesize compounds from SMILES specifications

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Cross-Vendor Validation

For high-priority leads:
  1. Request quotes from multiple synthesis providers
  2. Compare pricing, timelines, and purity specifications
  3. Consider ordering duplicates for critical validation studies

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Troubleshooting

While most REAL Space compounds are synthesizable, some edge cases may require:
  • Modified building blocks (may increase cost/timeline)
  • Alternative synthesis routes (discuss with Enamine)
  • Selecting a structurally similar analog from your results
Enamine will advise on feasibility when you request a quote.
Yes! If you uploaded a custom library or screened pre-computed vendor libraries:
  • Check the original source of your molecules
  • Contact the vendor directly with SMILES or compound IDs
  • Many vendors offer direct purchasing through their websites
We recommend maintaining a spreadsheet with:
  • Boltz molecule ID
  • SMILES string
  • Enamine quote reference
  • Order date and expected delivery
  • Batch/lot numbers upon receipt
You can also use Tags in the Catalog to mark “Ordered”, “In Transit”, “Received” for tracking within Boltz Lab.

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Next Steps

After receiving your compounds:
  1. Experimental Validation: Run biochemical or cell-based binding assays
  2. Hit Expansion: Use validated hits as templates for generative design or manual optimization in the Design Hub, or via CSV uplaod
  3. Iterate: Run follow-up virtual screens focused on validated chemotypes
Have questions about compound procurement? Contact our support team at support@boltz.bio