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/data/set2/dhfr00038.sdf

http://github.com/rajarshi/cdkr
Unknown | 127 lines | 127 code | 0 blank | 0 comment | 0 complexity | 7cd68951b1732d55d24dc8760fdc94ef MD5 | raw file
  1. 3-10
  2. Cerius2 12180216023D 1 1.00000
  3. Structure written by MMmdl.
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  113. M CHG 2 25 1 27 -1
  114. M END
  115. > <Name>
  116. 3-10
  117. > <Family>
  118. A
  119. > <PC_uM>
  120. 0.270000
  121. > <TG_uM>
  122. 0.003100
  123. > <RL_uM>
  124. 0.003800
  125. > <set>
  126. 0
  127. $$$$