/data/set2/dhfr00004.sdf

1-115194
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 34 35  0  0  0  0  0  0  0  0999 V2000
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    3.3156    3.3387   -0.0086 C   0  0  0  0  0  0
    2.5810    3.1082   -1.1734 C   0  0  0  0  0  0
    1.3612    2.4280   -1.1128 C   0  0  0  0  0  0
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    0.4478   -2.3854   -0.2155 O   0  0  0  0  0  0
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    1.6414   -3.1554   -0.3803 C   0  0  0  0  0  0
    1.2285    1.8568    2.2397 H   0  0  0  0  0  0
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    1.2553   -0.6711   -1.0375 H   0  0  0  0  0  0
    2.1412   -5.2470   -0.6067 H   0  0  0  0  0  0
    0.5830   -4.7808   -1.3299 H   0  0  0  0  0  0
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    2.1600   -2.8425   -1.2932 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
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  3  4  2  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  5  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
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  9 10  2  0  0  0
  9 16  1  0  0  0
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 11 12  2  0  0  0
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 17 18  1  0  0  0
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 19 32  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
M  END
>  <Name>
1-115194
>  <Family>
A
>  <PC_uM>
12.7
>  <TG_uM>
0.08
>  <RL_uM>
0.093
>  <set>
1
$$$$