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/data/set2/dhfr00026.sdf

http://github.com/rajarshi/cdkr
Unknown | 119 lines | 119 code | 0 blank | 0 comment | 0 complexity | fec10fa1ee3fcb579ee23dea34f5fb4b MD5 | raw file
  12-11a
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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106M  END
107>  <Name>
1082-11a
109>  <Family>
110A
111>  <PC_uM>
1125.180000
113>  <TG_uM>
1140.520000
115>  <RL_uM>
1161.380000
117>  <set>
1180
119$$$$