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/data/set2/dhfr00023.sdf

http://github.com/rajarshi/cdkr
Unknown | 111 lines | 111 code | 0 blank | 0 comment | 0 complexity | e227089fc458a1708e3941229c0b4095 MD5 | raw file
  11-382046
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 97M  CHG  2  18   1  20  -1
 98M  END
 99>  <Name>
1001-382046
101>  <Family>
102A
103>  <PC_uM>
1041.030000
105>  <TG_uM>
1060.019000
107>  <RL_uM>
1080.025000
109>  <set>
1102
111$$$$