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/data/set2/dhfr00021.sdf

http://github.com/rajarshi/cdkr
Unknown | 120 lines | 120 code | 0 blank | 0 comment | 0 complexity | 1f0669d8c71682903d6de709789b909a MD5 | raw file
  11-382036
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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107M  END
108>  <Name>
1091-382036
110>  <Family>
111A
112>  <PC_uM>
1133.600000
114>  <TG_uM>
1150.015000
116>  <RL_uM>
1170.022000
118>  <set>
1192
120$$$$