[Zinc-fans] Clarification on Single and Usual Downloading

[T. Andrew Binkowski]

Hi,
I have a question on clarification of what 'single' and 'usual' mean  
and how to deal with them.  Here is my scenario:

In the 70% clustering "drugs now" subset, it lists the following  
compound:

23_t70.smi  -- C(C(F)(F)F)OC(F)F	ZINC01995123

I downloaded the entire "drugs now - usual" subset and ZINC01995123  
was not present.  It was not present in the "single" subset either.

If I use the wget techniques in the FAQ:
  	wget http://zinc8.docking.org/fget2.pl?f=m&l=1&z=ZINC01995123  
returns nothing.
	wget http://zinc8.docking.org/fget2.pl?f=m&l=0&z=ZINC01995123 returns  
the molecule.


So, my questions:
1) Is this the correct behavior or an error for this particular  
compound?
2) Are the 'usual' compounds only present for a subset of the single  
compounds (e.g. all compounds in zinc have a 'single' state, but not  
necessarily a 'usual' state?
3) What is the best (most reliable) way to download a compound from a  
subset list?  Download from single first and then check for 'usuals'?   
Or check for usual, if none, then download from single?

Thanks,
Andrew

----------------------------------------------------------------------------
T. Andrew Binkowski, Ph.D.
Center for Structural Genomics of Infectious Diseases &
  Midwest Center for Structural Genomics
Biosciences Division, Argonne National Laboratory
9700 S. Cass Av. Argonne, IL 60439
Telephone: 630-252-3927 Fax: 630-252-6991
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