[Zinc-fans] download all-now

John J. Irwin jji at cgl.ucsf.edu
Thu Sep 10 12:39:15 PDT 2009


Hi Matt

Subset 26 ("all-now" aka "immediately purchasable chemical space") has
been updated and is ready for download.

Thanks for pointing out this problem to us.

John


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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