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/data/set2/dhfr00013.sdf

http://github.com/rajarshi/cdkr
Unknown | 84 lines | 84 code | 0 blank | 0 comment | 0 complexity | 3cb1a9e4117de0259df4bd3316e6cef3 MD5 | raw file
  1. 1-302325
  2. Cerius2 12180216023D 1 1.00000
  3. Structure written by MMmdl.
  4. 32 33 0 0 0 0 0 0 0 0999 V2000
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  70. M CHG 2 16 1 18 -1
  71. M END
  72. > <Name>
  73. 1-302325
  74. > <Family>
  75. A
  76. > <PC_uM>
  77. 0.850000
  78. > <TG_uM>
  79. 0.013000
  80. > <RL_uM>
  81. 0.015000
  82. > <set>
  83. 1
  84. $$$$