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--- |
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license: cc-by-nc-4.0 |
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size_categories: |
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- 100K<n<1M |
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tags: |
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- chemistry |
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- molecules |
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- smiles |
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- building-blocks |
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- synthesis |
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--- |
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# Molport In-Stock Building Blocks Database |
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The **Molport In-Stock Building Blocks Database** contains SMILES strings and Molport IDs for over **870,000 building blocks** that are currently available for purchase. These compounds represent a diverse collection of reagents and intermediates designed to support **medicinal chemistry, drug discovery, and custom synthesis workflows**. |
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## Contents |
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- **SMILES** – The molecular structure in [SMILES notation](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system). |
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- **SMILES_CANONICAL** – Canonicalized SMILES representation. |
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- **MOLPORTID** – Unique Molport identifier for each compound. |
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## Scope |
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This dataset includes: |
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- **All in-stock building blocks** listed at [molport.com](https://www.molport.com) |
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- Molecules available for purchase either: |
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- Directly via the [Molport website](https://www.molport.com), or |
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- By contacting our sales team at **sales@molport.com**. |
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## Update Frequency |
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- Files are updated on a **monthly basis** to reflect the latest in-stock availability. |
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## Accessing Molport Data |
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Molport data can be accessed through multiple options depending on your workflow: |
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- **Direct file downloads** – ready-to-use files available for immediate use. |
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- **FTP access** – ideal for bulk downloads and automated synchronization. |
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- **Molport API** – programmatic access for integration into cheminformatics pipelines and applications. |
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Learn more here: [Molport Database Access Options](https://www.molport.com/shop/database) |
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### Additional Pre-Filtered Libraries |
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In addition to the full in-stock datasets, Molport provides more than **18 pre-filtered libraries** tailored for specific research applications, including: |
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- **Drug-Like Compounds Library** |
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- **Diversity Library** |
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- **Kinase Library** |
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- **GPCR Library** |
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- **Natural Product Library** |
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- **Known Drugs and Clinical Candidates Library** |
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- **DEL Reagents Library** |
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Explore the full selection: [Molport Compound Libraries](https://www.molport.com/shop/libraries) |
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## Licensing |
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- Licensed under **CC BY-NC 4.0** — you may use this dataset for internal, non-commercial purposes with attribution to Molport. |
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- Commercial resale, redistribution, or inclusion in commercial offerings is **prohibited**. |
