0  B7R0.1  C=CCCCCCC SBB059884 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.1  C=CCNCC#CC SBB301263 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.1  C=CCNCCC#N SBB116759 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.1  C=CCSCCCC SBB058522 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.1  CCCCCN=C=S SBB085742 [0,0,0,0,0,0|0,0,2]=2
5  B7R0.1  COCCCN=C=S SBB085786 [0,0,0,0,0,0|1,0,1]=2
6  B7R0.1  CSCCCN=C=S SBB066566 [0,0,0,0,0,0|1,0,1]=2
7  B6R0.6  C#CCNCC=C SBB301262 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.6  C=CCCCCBr SBB054740 [1,0,0,0,0,0|1,0,1]=3
9  B6R0.6  C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,1]=3
10  B6R0.6  C=CCNCC=C SBB060901 [1,0,0,0,0,0|2,0,1]=4
11  B6R0.6  C=CCOCCO SBB060194 [1,0,0,0,0,0|1,1,1]=4
12  B6R0.6  C=CCSCC=C SBB060116 [1,0,0,0,0,0|2,0,1]=4
13  B6R0.6  CCCCN=C=S SBB060985 [1,0,0,0,0,0|0,0,1]=2
14  B6R0.6  COCCN=C=S SBB013663 [1,0,0,0,0,0|1,0,1]=3
15  B6R0.6  O=C=NCCCCl SBB068362 [1,0,0,0,0,0|1,1,0]=3
16  B8R0.4  C=CCCCCCCC SBB060474 [0,1,0,0,0,0|2,0,1]=4
17  B8R0.4  CCCCCCN=C=O SBB058614 [0,1,0,0,0,0|0,1,2]=4
18  B8R0.4  CCCCCCN=C=S SBB061289 [0,1,0,0,0,0|0,0,2]=3
19  B8R0.4  CCOCCCN=C=S SBB030512 [0,1,0,0,0,0|0,0,2]=3
20  B8R1.2  C=CC1CC=CCC1 SBB059892 [0,0,0,1,0,0|2,0,1]=4
21  B8R1.2  COC1C=CCCC1 SBB060461 [0,0,0,1,0,0|3,0,0]=4
22  B8R1.8  C=CCC1CCCC1 SBB008872 [0,0,0,1,0,0|2,0,1]=4
23  B8R1.8  O=C=NC1CCCC1 SBB046723 [0,0,0,1,0,0|0,1,2]=4
24  B8R1.8  S=C=NC1CCCC1 SBB017610 [0,0,0,1,0,0|0,0,2]=3
25  B8R1.49  C1=CCCCCCC1 SBB059890 [0,0,0,1,0,0|2,0,1]=4
26  B5R0.2  C=CCN=C=O SBB048102 [2,0,0,0,0,0|0,1,0]=3
27  B5R0.2  C=CCN=C=S SBB060631 [2,0,0,0,0,0|0,0,0]=2
28  B5R0.2  C=COCCCl SBB061485 [2,0,0,0,0,0|2,0,0]=4
29  B5R0.2  C=COCCN SBB072719 [2,0,0,0,0,0|1,0,1]=4
30  B5R0.2  CCCN=C=S SBB060984 [2,0,0,0,0,0|0,0,0]=2
31  B5R0.2  O=C=NCCCl SBB054898 [2,0,0,0,0,0|1,1,0]=4
32  B7R0.3  C=CC(O)CCCC SBB008778 [1,1,0,0,0,0|1,0,1]=4
33  B7R0.3  CCC(C)CN=C=S SBB085743 [1,1,0,0,0,0|0,0,1]=3
34  B7R0.3  S=C=NCC(Br)CBr SBB019321 [1,1,0,0,0,0|1,0,0]=3
35  B7R0.7  COCC(C)N=C=S SBB059494 [1,1,0,0,0,0|1,0,1]=4
36  B7R1.3  BrC1C=CCCC1 SBB007864 [1,0,0,1,0,0|1,0,1]=4
37  B7R1.3  O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,1,1]=4
38  B7R1.24  C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,1]=4
39  B9R1.8  S=C=NC1CCCCC1 SBB014110 [0,1,0,1,0,0|0,0,2]=4
40  B9R1.12  S=C=NCC1=CC=CO1 SBB017397 [0,1,0,1,0,0|0,0,2]=4
41  B9R1.12  S=C=NCC1CCCO1 SBB017396 [0,1,0,1,0,0|0,0,2]=4