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/data/set2/dhfr00015.sdf

http://github.com/rajarshi/cdkr
Unknown | 115 lines | 115 code | 0 blank | 0 comment | 0 complexity | 9e9ed9d77350b3d273ba9825edf8c63c MD5 | raw file
  11-319949
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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101M  CHG  2  18   1  20  -1
102M  END
103>  <Name>
1041-319949
105>  <Family>
106A
107>  <PC_uM>
1085.050000
109>  <TG_uM>
1100.430000
111>  <RL_uM>
1120.900000
113>  <set>
1141
115$$$$