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/data/set2/dhfr00017.sdf

http://github.com/rajarshi/cdkr
Unknown | 99 lines | 99 code | 0 blank | 0 comment | 0 complexity | 801fe1851bbe891739a4f98f60fdff2c MD5 | raw file
 11-330465
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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86M  END
87>  <Name>
881-330465
89>  <Family>
90A
91>  <PC_uM>
922.800000
93>  <TG_uM>
940.310000
95>  <RL_uM>
9618.900000
97>  <set>
980
99$$$$