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/data/set2/dhfr00024.sdf

http://github.com/rajarshi/cdkr
Unknown | 103 lines | 103 code | 0 blank | 0 comment | 0 complexity | 0152cb21d38c48df9929d78b5a374ab1 MD5 | raw file
  11-400654
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 90M  END
 91>  <Name>
 921-400654
 93>  <Family>
 94A
 95>  <PC_uM>
 961.400000
 97>  <TG_uM>
 98N/A
 99>  <RL_uM>
1000.280000
101>  <set>
1021
103$$$$