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/data/set2/dhfr00003.sdf

http://github.com/rajarshi/cdkr
Unknown | 73 lines | 73 code | 0 blank | 0 comment | 0 complexity | 468521186be6a164b9817076d3484bd8 MD5 | raw file
 11-7364
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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60M  END
61>  <Name>
621-7364
63>  <Family>
64A
65>  <PC_uM>
661.68
67>  <TG_uM>
683.7
69>  <RL_uM>
700.32
71>  <set>
721
73$$$$