Hbye2231/In-stock-Database

---
license: cc-by-nc-4.0
size_categories:
- 1M<n<10M
tags:
- chemistry
- molecules
- smiles
- screening-compounds
- building-blocks
---
# Molport In-Stock Database

The **Molport In-Stock Database** contains SMILES strings and Molport IDs for all **5.9 million in-stock molecules**, covering both **screening compounds** and **building blocks** that are currently available for purchase.

## Contents
- **SMILES** – The molecular structure in [SMILES notation](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system).
- **SMILES_CANONICAL** – Canonicalized SMILES representation.
- **MOLPORTID** – Unique Molport identifier for each compound.

## Scope
This dataset includes:
- All screening compounds and building blocks listed as in-stock at [molport.com](https://www.molport.com)
- Molecules available for purchase either:
- Directly via the [Molport website](https://www.molport.com), or
- By contacting our sales team at **[e-mail]**.

## 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](https://www.molport.com/shop/database)

### Additional Pre-Filtered Libraries

In addition to the full in-stock datasets, Molport provides more than **18 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](https://www.molport.com/shop/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**.