DOCK Blaster:Custom Database

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There are two kinds of custom database supported by ZINC: user uploads and user subsets.

User Uploads

Sometimes, the molecules you want to dock are not in ZINC. To load your own molecules, go to and browse to load your molecules in SMILES (best), mol2 or SDF format. Click on "upload & build" and then wait while we process your molecules.

User Subsets

Sometimes, you want to download more than 500 molecules matching certain criteria. To do this, you must create a subset. To create a subset, click on "Create Subset" in the ZINC Results browser, which you reach after performing a search using the | ZINC Search Tool. . You will be assigned a number for your subset. Wait a little while, then browse and download your subset.