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/data/set2/dhfr00005.sdf

http://github.com/rajarshi/cdkr
Unknown | 101 lines | 101 code | 0 blank | 0 comment | 0 complexity | e32392f7ad37fe454d7ec9061dc05f21 MD5 | raw file
  11-118203
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 87M  CHG  2  24   1  26  -1
 88M  END
 89>  <Name>
 901-118203
 91>  <Family>
 92A
 93>  <PC_uM>
 9485.1
 95>  <TG_uM>
 961.37
 97>  <RL_uM>
 9842.5
 99>  <set>
1002
101$$$$