[Zinc-fans] subset 29

Ben Keshet keshet1 at umbc.edu
Mon Jun 22 12:52:20 PDT 2009


Hi,

According to the ZINC subsets page, subset #29 is CNS permeable 
molecules, however I cannot find this subset in the download-able list 
of subsets.  Is it still available anywhere?  If yes, what was the 
criteria that this subset was filtered by?

Another unrelated question - when I search ZINC, I can always view less 
hits per page than I indicate.  For example, I have only 94 hits when I 
ask for 500/page.  Below the table I have the following text:

start 0 size 500

select s.sub_id,s.smiles from substance s, protomer p, catalog_item ci, 
catalog c , zinctmp.qury q where s.sub_id = ci.sub_id_fk and 
ci.cat_id_fk = c.cat_id and c.free=1 and p.sub_id_fk = s.sub_id and 
q.qury_id = 146604 and q.sub_id = s.sub_id limit 0,500


When I downloaded the table, I got a shorter table than what I 
expected.  For example, searching by smile: Cc1ccc(C)cc1, yielded only 
165 molecules.   What am I missing?

Thanks,
Ben Keshet
UMBC
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