beta2_adrenergic_aid37833.sdf

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     RDKit          2D

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  5  1  2  0
  6  8  1  0
  7  8  1  0
  8 13  1  0
  9  2  1  0
 10 12  1  0
 11  3  1  0
 12 20  1  0
 13 10  1  0
 14  1  1  0
 15 16  1  0
 16  7  1  0
 17 11  2  0
 18 11  1  0
 19 17  1  0
 20 18  2  0
 21  9  2  0
 22  9  1  0
 23 22  2  0
 24 21  1  0
 25 23  1  0
 12 19  2  0
 15  2  1  0
 24 25  2  0
M  END
$$$$
273067
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    3.9972   -0.5608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0
  3 12  1  0
  4  2  1  0
  5  1  1  0
  6  3  1  0
  7  4  2  0
  8  1  2  0
  9  1  2  0
 10 13  1  0
 11 13  1  0
 12 15  2  0
 13 18  1  0
 14  3  2  0
 15 24  1  0
 16 23  2  0
 17  5  1  0
 18  6  1  0
 19  7  1  0
 20  1  1  0
 21 22  1  0
 22 11  1  0
 23 17  1  0
 24 17  2  0
 25 19  1  0
 26  4  1  0
 27 26  2  0
 28 27  1  0
 12 16  1  0
 21  2  1  0
 19 28  2  0
M  END
$$$$
91618
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.3110    0.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1355    0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5147    1.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8247    0.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3370   -2.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  2  0
  4 11  1  0
  5  3  1  0
  6  1  1  0
  7  1  1  0
  8  5  1  0
  9  2  1  0
 10  6  1  0
 11  7  1  0
 12  9  2  0
 13 12  1  0
 14  8  1  0
  4 10  1  0
 13  5  2  0
M  END
$$$$
5884
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.0556   -0.0633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -1.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0302    0.3262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4317   -0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4940   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0067   -1.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7436    1.9285    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  1  6  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  7 12  1  0
  9 13  1  0
  1  7  1  0
M  END
$$$$
273809
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.1000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  3  1  1  0
  4  1  1  0
  5 11  1  0
  6  1  2  0
  7 14  1  0
  8  3  2  0
  9  3  1  0
 10  8  1  0
 11  9  2  0
 12  2  1  0
 13  2  1  0
 14 13  1  0
 15 12  1  0
  5 10  2  0
 15  7  1  0
M  CHG  2   1   1   4  -1
M  END
$$$$
273808
     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.9000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3 10  2  0
  4  3  1  0
  5 13  1  0
  6  4  2  0
  7  2  1  0
  8  2  2  0
  9  7  2  0
 10  8  1  0
 11  1  1  0
 12  1  1  0
 13 12  1  0
 14 11  1  0
 15  4  1  0
  5 14  1  0
  9  3  1  0
M  END
$$$$
273148
     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.8996   -0.9335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6996    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4962   -4.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0
  3  1  1  0
  4 11  1  0
  5  4  1  0
  6  1  2  0
  7  1  2  0
  8 12  1  0
  9  3  1  0
 10 12  1  0
 11 18  1  0
 12 19  1  0
 13  2  1  0
 14  4  2  0
 15  9  2  0
 16  9  1  0
 17 15  1  0
 18 16  2  0
 19  5  1  0
 20  1  1  0
 21 22  1  0
 22 10  1  0
 23  3  1  0
 24 13  2  0
 25 13  1  0
 26 25  2  0
 27 24  1  0
 28 26  1  0
 17 11  2  0
 21  2  1  0
 27 28  2  0
M  END
$$$$
273619
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1538   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8462   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3 11  1  0
  4  2  2  0
  5  2  1  0
  6  4  1  0
  7  5  2  0
  8  7  1  0
  9  1  1  0
 10  1  1  0
 11 10  1  0
 12  9  1  0
 13  8  1  0
  3 12  1  0
  6  8  2  0
M  END
$$$$
273520
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    8.2151    2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0
  3 12  1  0
  4  2  1  0
  5  1  1  0
  6  3  1  0
  7  4  2  0
  8  1  2  0
  9  1  2  0
 10 13  1  0
 11 13  1  0
 12 16  2  0
 13 18  1  0
 14  3  2  0
 15 23  2  0
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 17  5  1  0
 18  6  1  0
 19  7  1  0
 20  1  1  0
 21 22  1  0
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 23 17  1  0
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 25 19  1  0
 26  4  1  0
 27 26  2  0
 28 27  1  0
 29 25  1  0
 15 12  1  0
 21  2  1  0
 19 28  2  0
M  END
$$$$
5528
     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.8646    0.1508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7169    1.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  1  3  2  0
  1  4  2  0
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  7 10  1  0
  2 11  1  0
  1 12  1  0
  8 13  1  0
 11 13  2  0
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 11 14  1  0
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 16 17  1  0
 16 18  1  0
M  END
$$$$
273841
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0
  3  9  1  0
  4  2  2  0
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  6  1  1  0
  7  1  1  0
  8  2  1  0
  9  7  1  0
 10  6  1  0
 11  8  2  0
 12 11  1  0
 13  5  1  0
  3 10  1  0
 12  5  2  0
M  END
$$$$
273095
     RDKit          2D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0
  3  5  2  0
  4  6  1  0
  5  2  1  0
  6 20  1  0
  7 17  2  0
  8  1  1  0
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 10  4  1  0
 11  2  1  0
 12 11  2  0
 13  8  1  0
 14  1  1  0
 15  4  2  0
 16 18  2  0
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 18 10  1  0
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 25 24  2  0
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 27 25  1  0
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 27 26  2  0
  7 16  1  0
 12  3  1  0
M  END
$$$$
6161
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0
  3  7  1  0
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 10  4  1  0
 11  4  1  0
 12  9  2  0
 13 12  1  0
  8  3  1  0
 11 13  2  0
M  END
$$$$
273391
     RDKit          2D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0063   -1.1229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 11  4  1  0
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 13 18  1  0
 14  7  1  0
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 17  4  1  0
 26 25  2  0
M  END
$$$$
273519
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 27 26  2  0
M  END
$$$$
273120
     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  7  1  1  0
  8  2  2  0
  9  2  1  0
 10  6  1  0
 11  1  1  0
 12 11  1  0
 13  7  2  0
 14  7  1  0
 15  9  2  0
 16  9  1  0
 17 14  2  0
 18 15  1  0
 19 16  2  0
 20 13  1  0
 21 17  1  0
 22 19  1  0
  5  6  1  0
 21 20  2  0
 22 18  2  0
M  END
$$$$
186685
     RDKit          2D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1538   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3462   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8462   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.4038   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3 12  1  0
  4  2  2  0
  5  2  1  0
  6  7  1  0
  7  5  2  0
  8  4  1  0
  9  6  1  0
 10  1  1  0
 11  1  1  0
 12 11  1  0
 13 10  1  0
 13  3  1  0
  8  6  2  0
M  END
$$$$
273806
     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.3970   -2.3318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7420    0.3977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9210   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5760   -0.8426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958    2.1665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3628    0.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2791   -4.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0
  3 11  1  0
  4  2  1  0
  5  1  1  0
  6  3  1  0
  7 12  1  0
  8  1  2  0
  9  1  2  0
 10 12  1  0
 11 16  2  0
 12 18  1  0
 13  3  2  0
 14  4  2  0
 15 22  2  0
 16 23  1  0
 17  5  1  0
 18  6  1  0
 19  1  1  0
 20 21  1  0
 21 10  1  0
 22 17  1  0
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 24 14  1  0
 25  4  1  0
 26 14  1  0
 27 24  1  0
 28 25  2  0
 29 28  1  0
 15 11  1  0
 20  2  1  0
 26 29  2  0
M  END
$$$$
272957
     RDKit          2D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    2.5761    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0882    3.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  3  1  1  0
  4 10  1  0
  5  1  2  0
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  8 15  1  0
  9 12  1  0
 10  9  1  0
 11  3  1  0
 12 19  1  0
 13  1  1  0
 14  2  1  0
 15  4  1  0
 16 11  2  0
 17 11  1  0
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 20  8  1  0
 21  7  2  0
 22  7  1  0
 23 22  2  0
 24 21  1  0
 25 23  1  0
 12 18  2  0
 14 20  1  0
 25 24  2  0
M  END
$$$$