Advanced 3D Searching of Structures in the Cambridge Structural Database

Providing easy and convenient access to the wealth of structural knowledge contained in the CSD, ConQuest allows users to carry out more advanced searches than WebCSD including context and criteria matching. Search results can be seamlessly analysed by the powerful algorithms provided by the CCDC suite of software tools.

ConQuest gives big-data insights with multiple search options by substructure, reference, unit cell, and text terms including known polymorphs and subsets.


ConQuest search


Integrated with powerful informatics tools

Take search results straight into the CCDC suite of software tools that use powerful algorithms for further analysis.

Chemical substructure search

Search from a 2D molecular sketch including chemical constraints such as charge, hybridization state, and cyclicity.

3D geometric searching

Quickly analyse molecular dimensions and determine conformational preferences.

Intermolecular contact searching

Explore interactions of all types and to locate pharmacophoric patterns.

Wide range of text and numeric database search options

Locate structures based on compound name, formula, elemental composition, literature reference and experimental details.

Link to proprietary data

Include your proprietary data so you get the complete picture of your system of interest.

Included in
  • CSD-Core
  • CSD-Enterprise
  • Academic Research
  • Agrochemical Software
  • Crystallography
  • Pharmaceutical Software
Use Cases
  • End-to-End Molecular Design
  • Search Known Small Molecules


Queries of name, formula and more can be combined if necessary to narrow results. For proprietary databases you can apply your naming conventions too.

Yes you can point ConQuest to proprietary data. Once set up advanced search options are available.

Results from ConQuest can be saved in cif, SHELX, MDL sd file, SMILES and more.

For a complete and up-to-date list of file types ConQuest supports, see our technical FAQ in our knowledgebase here.