dhfr00018.sdf | searchcode

/data/set2/dhfr00018.sdf

http://github.com/rajarshi/cdkr · Unknown · 101 lines · 101 code · 0 blank · 0 comment · 0 complexity · 057436188e30749ff31b8eae9c0b1ec2 MD5 · raw file

1-372950
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-372950
>  <Family>
A
>  <PC_uM>
10.600000
>  <TG_uM>
1.600000
>  <RL_uM>
3.500000
>  <set>
1
$$$$