These MACCS format files are the 31 compounds from the Selwood
data set (Selwood, Livingstone, Comley, O'Dowd, Hudson, Jackson, Jandu,
Rose, and Stables, J. Med. Chem., 33, pp. 136-142, 1989.) as as described
by Rose (Rose, Croall, MacFie, Quant, Struct.-Act. Relat., 10, pp. 6-15, 
1991).

The compounds have been minimized using UFF and hydrogen filled.

Currently, the molecules in the file do NOT share the same numbering
as given in the Selwood paper.  

The file SW.data is an ASCII file with the original Selwood data set.

Two compounds as described by Rose did not have the molecular weight
given in the Selwood data set, obtained from one of the original authors
(Rose) via Jim McFarland at Pfizer.  I (David Rogers) believe that the
drawings had typos.  These original molecules are given as rose15.mol
and rose20.mol.  I made what I am convinced are the appropriate 
modifications to the files in the series so their molecular weights 
match. 
