0  B8R0.4  C=CCCCCCCC SBB060474 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.4  CCCCCCCC#N SBB060053 [0,0,0,0,0,0|3,0,1]=4
2  B8R0.4  CCCCCCCC=O SBB059871 [0,0,0,0,0,0|2,1,1]=4
3  B8R0.4  CCCCCCCCBr SBB059937 [0,0,0,0,0,0|3,0,1]=4
4  B8R0.4  CCCCCCCCCl SBB059955 [0,0,0,0,0,0|3,0,1]=4
5  B8R0.4  CCCCCCCCN SBB059986 [0,0,0,0,0,0|3,0,1]=4
6  B8R0.4  CCCCCCCCO SBB059902 [0,0,0,0,0,0|2,1,1]=4
7  B8R0.4  CCCCCCCNC SBB059820 [0,0,0,0,0,0|3,0,1]=4
8  B8R0.4  CCCCCCN=C=O SBB058614 [0,0,0,0,0,0|1,1,0]=2
9  B8R0.4  CCCCCCN=C=S SBB061289 [0,0,0,0,0,0|1,0,0]=1
10  B8R0.4  CCCCCCNC=O SBB061175 [0,0,0,0,0,0|1,1,2]=4
11  B8R0.4  CCCCCCOC=O SBB060302 [0,0,0,0,0,0|2,1,1]=4
12  B8R0.4  CCCCCCSCC SBB061179 [0,0,0,0,0,0|3,0,1]=4
13  B8R0.4  CCOCCCN=C=S SBB030512 [0,0,0,0,0,0|2,0,0]=2
14  B7R0.1  C=CCCCCCC SBB059884 [1,0,0,0,0,0|2,0,1]=4
15  B7R0.1  CCCCCCC#N SBB060052 [1,0,0,0,0,0|2,0,1]=4
16  B7R0.1  CCCCCCCBr SBB059936 [1,0,0,0,0,0|2,0,1]=4
17  B7R0.1  CCCCCCCCl SBB059954 [1,0,0,0,0,0|2,0,1]=4
18  B7R0.1  CCCCCCCN SBB059985 [1,0,0,0,0,0|2,0,1]=4
19  B7R0.1  CCCCCCOC SBB061157 [1,0,0,0,0,0|1,1,1]=4
20  B7R0.1  CCCCCN=C=S SBB085742 [1,0,0,0,0,0|0,0,0]=1
21  B7R0.1  CCCCCOC=O SBB060301 [1,0,0,0,0,0|1,1,1]=4
22  B7R0.1  CCCCCSC#N SBB060089 [1,0,0,0,0,0|2,0,1]=4
23  B7R0.1  COCCCN=C=S SBB085786 [1,0,0,0,0,0|0,1,0]=2
24  B7R0.1  CSCCCN=C=S SBB066566 [1,0,0,0,0,0|0,0,0]=1
25  B7R0.1  C\C=C\CCCCC SBB059885 [1,0,0,0,0,0|2,0,1]=4
26  B7R0.1  OCCCCCCS SBB058615 [1,0,0,0,0,0|1,1,1]=4
27  B9R0.2  CCCCCCNC(N)=S SBB028342 [0,1,0,0,0,0|1,0,2]=4
28  B9R0.45  CCSCCCCSCC SBB061079 [0,1,0,0,0,0|2,0,1]=4
29  B9R1.8  O=C=NC1CCCCC1 SBB060893 [0,0,0,1,0,0|1,1,0]=3
30  B9R1.8  S=C=NC1CCCCC1 SBB014110 [0,0,0,1,0,0|1,0,0]=2
31  B9R1.12  S=C=NCC1CCCO1 SBB017396 [0,0,0,1,0,0|2,0,0]=3
32  B6R0.6  C#CCCCCC SBB067441 [2,0,0,0,0,0|1,0,1]=4
33  B6R0.6  C=CCCCCC SBB059882 [2,0,0,0,0,0|1,0,1]=4
34  B6R0.6  CCCCCC#N SBB060051 [2,0,0,0,0,0|1,0,1]=4
35  B6R0.6  CCCCCCBr SBB059934 [2,0,0,0,0,0|1,0,1]=4
36  B6R0.6  CCCCCCCl SBB059952 [2,0,0,0,0,0|1,0,1]=4
37  B6R0.6  CCCCCCN SBB059984 [2,0,0,0,0,0|1,0,1]=4
38  B6R0.6  CCCCCCO SBB059899 [2,0,0,0,0,0|0,1,1]=4
39  B6R0.6  CCCCCOC SBB061300 [2,0,0,0,0,0|0,1,1]=4
40  B6R0.6  CCCCN=C=S SBB060985 [2,0,0,0,0,0|0,0,0]=2
41  B6R0.6  COCCN=C=S SBB013663 [2,0,0,0,0,0|0,1,0]=3
42  B6R0.6  O=C=NCCCCl SBB068362 [2,0,0,0,0,0|1,1,0]=4
43  B10R0.71  CCCCCCCCN=C=O SBB068604 [0,2,0,0,0,0|1,1,0]=4
44  B10R0.71  CCCCCCCCN=C=S SBB058874 [0,2,0,0,0,0|1,0,0]=3
45  B8R1.8  O=C=NC1CCCC1 SBB046723 [1,0,0,1,0,0|0,1,0]=3
46  B8R1.8  S=C=NC1CCCC1 SBB017610 [1,0,0,1,0,0|0,0,0]=2