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/data/set2/dhfr00004.sdf

http://github.com/rajarshi/cdkr
Unknown | 87 lines | 87 code | 0 blank | 0 comment | 0 complexity | 61af03f8f48a7e03bfcaa6c4e0053ac4 MD5 | raw file
 11-115194
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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74M  END
75>  <Name>
761-115194
77>  <Family>
78A
79>  <PC_uM>
8012.7
81>  <TG_uM>
820.08
83>  <RL_uM>
840.093
85>  <set>
861
87$$$$