File: Sotorasib.sdf

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (91 lines) | stat: -rw-r--r-- 3,942 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91

  MJ221900                      

 41 45  0  0  1  0  0  0  0  0999 V2000
   -1.4558   -0.0583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365   -2.9830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    3.6341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855   -1.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -0.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    2.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566   -1.7283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -0.4908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046   -1.7570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -3.7909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    1.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566   -0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    3.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046   -0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0702   -3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    3.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428   -0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -2.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428   -1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526   -3.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006   -2.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711   -3.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566   -4.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    4.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1717   -1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525   -2.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8847   -1.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654   -2.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815   -2.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 38  1  0  0  0  0
  3 19  2  0  0  0  0
  4 22  2  0  0  0  0
  5 37  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 16  2  0  0  0  0
  9 22  1  0  0  0  0
 10 20  2  0  0  0  0
 10 29  1  0  0  0  0
 11 24  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  6  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  2  0  0  0  0
 19 26  1  0  0  0  0
 21 24  1  0  0  0  0
 21 28  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 36  2  0  0  0  0
 27 29  2  0  0  0  0
 28 32  1  0  0  0  0
 28 34  1  0  0  0  0
 29 33  1  0  0  0  0
 32 35  2  0  0  0  0
 33 37  2  0  0  0  0
 33 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
M  END