Building blocks

Our users often write us asking about building blocks. In ZINC15 there are some improved ways to do this.

I am trying to download the csh mol2 script for Unix but the file is not being found. Could you please fix the file? Or is there another way to download the zbb database?

First, you might just want to browse them and see what you're going to get.

http://zinc15.docking.org/substances/subsets/bb

Once you are ready to download, begin with 1000 SMILES:

wget -o log -O bb.smi "http://zinc15.docking.org/substances/subsets/bb.smi?count=1000"

Is that what you wanted? Perhaps you wanted only purchasable building blocks?

wget -o log -O bb.smi "http://zinc15.docking.org/substances/subsets/purchasable+bb.smi?count=1000"

Is that right? Perhaps you only wanted ones that are in stock for 2-week delivery. In this case, use

wget -o log -O bb.smi "http://zinc15.docking.org/substances/subsets/in-stock+bb.smi?count=1000"

Did you want some extra information for each one, like molecular weight and logP?

wget -o log -O bb.smi "http://zinc15.docking.org/substances/subsets/in-stock+bb.smi:zinc_id,mwt,logp?count=1000"

Now, perhaps you wanted 2D SDF format, for use in DataWarrior or InstantJchem?

wget -o log -O bb.smi "http://zinc15.docking.org/substances/subsets/in-stock+bb.sdf:zinc_id,mwt,logp?count=1000"

We hope you find this useful.