[Zinc-fans] download all-now

John J. Irwin jji at cgl.ucsf.edu
Thu Sep 3 10:16:14 PDT 2009

Dear Matt

Thank you for pointing out that the "all-now" subset of ZINC is
incomplete.  There are 9.1 M molecules in this subset, but only 3.36M of
them are available in mol2 and SDF format (the SMILES file is complete).

I have started a re-build of this subset. It will be ready in about a week.

Thanks for your interest in ZINC, and your helpful feedback.


mattia wrote:
> Dear all,
> we are trying to download the "all-now" subset.
> It should be constituted by more than 9M of molecules. After downloading 
> both sdf and mol2 format of "all-now" subset we obtain no more than 3,5M 
> molecules each format.
> Does anyone can explain this difference in subset dimension?
> Which is the real dimension of the "all-now" subset?
> How is it possible to download all 9M molecules directly in the sdf or 
> mol2 format?
> [in SMILE format we effectively download 9M of molecules (ZINC ID)...]
> Thanks for support.
> matt
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