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/data/set2/dhfr00039.sdf

http://github.com/rajarshi/cdkr
Unknown | 135 lines | 135 code | 0 blank | 0 comment | 0 complexity | da46e583d3f38c374b7bbef3f856b1c3 MD5 | raw file
  13-14
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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121M  CHG  2  25   1  27  -1
122M  END
123>  <Name>
1243-14
125>  <Family>
126A
127>  <PC_uM>
1280.460000
129>  <TG_uM>
1300.007400
131>  <RL_uM>
1320.006800
133>  <set>
1340
135$$$$