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/data/set2/dhfr00027.sdf

http://github.com/rajarshi/cdkr
Unknown | 113 lines | 113 code | 0 blank | 0 comment | 0 complexity | ceac2634a30e72834ea7bba6790d9354 MD5 | raw file
  12-11c
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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100M  END
101>  <Name>
1022-11c
103>  <Family>
104A
105>  <PC_uM>
1063.530000
107>  <TG_uM>
1080.370000
109>  <RL_uM>
1100.150000
111>  <set>
1120
113$$$$