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/data/set2/dhfr00018.sdf

http://github.com/rajarshi/cdkr
Unknown | 101 lines | 101 code | 0 blank | 0 comment | 0 complexity | 057436188e30749ff31b8eae9c0b1ec2 MD5 | raw file
  11-372950
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 88M  END
 89>  <Name>
 901-372950
 91>  <Family>
 92A
 93>  <PC_uM>
 9410.600000
 95>  <TG_uM>
 961.600000
 97>  <RL_uM>
 983.500000
 99>  <set>
1001
101$$$$