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/data/set2/dhfr00014.sdf

http://github.com/rajarshi/cdkr
Unknown | 84 lines | 84 code | 0 blank | 0 comment | 0 complexity | 44b30cc2965fda663749924c61a395b5 MD5 | raw file
 11-319947
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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70M  CHG  2  19   1  20  -1
71M  END
72>  <Name>
731-319947
74>  <Family>
75A
76>  <PC_uM>
771.330000
78>  <TG_uM>
790.690000
80>  <RL_uM>
810.330000
82>  <set>
832
84$$$$