molport/In-stock-Building-Block-Database

Molport In-Stock Building Blocks Database

The Molport In-Stock Building Blocks Database contains SMILES strings and Molport IDs for over 1.1 million 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.

Contents

• SMILES – The molecular structure in SMILES notation.
• SMILES_CANONICAL – Canonicalized SMILES representation.
• MOLPORTID – Unique Molport identifier for each compound.

Scope

This dataset includes:

• All in-stock building blocks listed at molport.com
• Molecules available for purchase either:
  • Directly via the Molport website, or
  • By contacting our sales team at sales@molport.com.

Update Frequency

• Files are updated on a monthly basis to reflect the latest in-stock availability.

Accessing Molport Data

Molport data can be accessed through multiple options depending on your workflow:

• Direct file downloads – ready-to-use files available for immediate use.
• FTP access – ideal for bulk downloads and automated synchronization.
• Molport API – programmatic access for integration into cheminformatics pipelines and applications.

Learn more here: Molport Database Access Options

Additional Pre-Filtered Libraries

In addition to the full in-stock datasets, Molport provides more than 22 pre-filtered libraries tailored for specific research applications, including:

• Drug-Like Compounds Library
• Diversity Library
• Kinase Library
• GPCR Library
• Natural Product Library
• Known Drugs and Clinical Candidates Library
• DEL Reagents Library

Explore the full selection: Molport Compound Libraries

Licensing

• Licensed under CC BY-NC 4.0 — you may use this dataset for internal, non-commercial purposes with attribution to Molport.
• Commercial resale, redistribution, or inclusion in commercial offerings is prohibited.