ZINC15 Database

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The ZINC15 database is an updated version of ZINC12 and contains over 100 million purchasable compounds for virtual screening.

How to download molecules by catalog?

Those who are doing virtual screening can start with the ZINC 60% lead-like diversity set available at


for the mathlab computers. These are already broken into roughly 1000 molecule chunks for convenient running on seawulf. There is a total of 19241 molecules in this set. The corresponding 70% diversity set is also available in the 3_t70 folder.