HTS1610-01032368
  

 84 89  0  0  0  0  0  0  0  0999 V2000
    3.4648    0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    1.0092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    2.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392    0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639    2.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639   -1.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -1.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392    2.9726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    3.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1424    1.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757   -0.8810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    3.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3619    1.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630   -1.2408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639   -3.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -3.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6424    1.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6610    0.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648   -4.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9600    1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6610   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648   -5.7408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8842    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -0.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -6.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8879    1.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1960   -1.1639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8970   -1.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3551    1.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4244    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -3.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3587    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4280    3.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -4.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9537   -4.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8953    3.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8260    1.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -5.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7970   -5.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8989    4.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -6.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3662    4.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3698    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8371    5.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    0.8592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2835   -1.6908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461   -1.6908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826    3.5592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4486    2.7996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2835   -3.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461   -3.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424    2.2788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1806   -0.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7548    1.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4797    1.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3457    0.5496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2518   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6610   -1.8408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0701   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709   -7.0546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461   -6.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -6.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5406    0.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    2.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2426    4.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844   -3.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5018   -4.0432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8051    1.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4129    1.7843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0508    2.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6650   -5.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2824   -6.1318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3638   -6.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1415    3.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8750    4.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1844    6.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0225    4.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2385    5.6991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  2  0  0  0  0
 13 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  2  0  0  0  0
 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 32 35  1  0  0  0  0
 33 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  2  0  0  0  0
 40 44  1  0  0  0  0
 42 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 19 22  1  0  0  0  0
 31 32  1  0  0  0  0
 37 40  2  0  0  0  0
 43 45  1  0  0  0  0
  1 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
 37 71  1  0  0  0  0
 38 72  1  0  0  0  0
 39 73  1  0  0  0  0
 41 74  1  0  0  0  0
 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
 42 77  1  0  0  0  0
 43 78  1  0  0  0  0
 45 79  1  0  0  0  0
 46 80  1  0  0  0  0
 46 81  1  0  0  0  0
 47 82  1  0  0  0  0
 48 83  1  0  0  0  0
 48 84  1  0  0  0  0
M  END
> 
HTS1610-01032368-01

> 
Namiki1610

> 
NS-006267934-0000

> 
C38H36N4O5S

> 
660.794

> 
0

> 
0

> 
7

> 
-8.2461

> 
-1.5291

> 
1

> 
-10.8989

> 
5.4710

> 
C=CCOc3ccc(c5nn(c1ccccc1)cc5C=C4SC6=NC(=C(C(N6C4=O)c2ccc(cc2)OC)C(OC(C)C)=O)C)cc3C

> 
KSH2016-01924508 HTS1610-01039488 HTS1610-01039489 HTS1610-01032367 

$$$$