0  B6R0.1  CCC(C)CCBr MC112369 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.1  CCCC(C)CBr MC112368 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CC(C)CC=O CS11530 [1,0,0,0,0,0|1,1,1]=4
3  B5R0.1  CC(C)SC#N MC41971 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.2  C#CCN=C=O MC107730 [1,0,0,0,0,0|0,1,2]=4
5  B5R0.2  CCCCCBr CS20657 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.2  CCCC[Zn]Br MC121334 [1,0,0,0,0,0|3,0,0]=4
7  B5R0.3  CCC(C)[Zn]Br MC121335 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.3  CCC(N)CO CS15119 [1,0,0,0,0,0|1,1,1]=4
9  B5R0.3  CCC(N)CO MC10528 [1,0,0,0,0,0|1,1,1]=4
10  B5R0.3  CCC(N)CO MC20718 [1,0,0,0,0,0|1,1,1]=4
11  B5R0.3  CCC(N)CO MC436159 [1,0,0,0,0,0|1,1,1]=4
12  B5R0.3  CCC(O)CO CS15622 [1,0,0,0,0,0|1,1,1]=4
13  B5R0.3  COC(C)CN CS17733 [1,0,0,0,0,0|2,0,1]=4
14  B5R0.3  COC(C)CO CS12306 [1,0,0,0,0,0|1,1,1]=4
15  B7R0.10  CCC(C)C(N)CO CS18903 [0,1,0,0,0,0|1,1,1]=4
16  B7R0.10  CCC(C)C(N)CO MC437812 [0,1,0,0,0,0|1,1,1]=4
17  B7R1.1  CCC1CCCN1 MC110951 [0,0,0,1,0,0|1,0,2]=4
18  B7R1.2  CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|2,0,1]=4
19  B7R1.2  CC1CCC(C)N1 MC102818 [0,0,0,1,0,0|1,0,2]=4
20  B7R1.3  CC1CCCCN1 MC20418 [0,0,0,1,0,0|1,0,2]=4
21  B7R1.3  CC1CCCNC1 CS16133 [0,0,0,1,0,0|3,0,0]=4
22  B7R1.3  CC1CCCNC1 MC425227 [0,0,0,1,0,0|3,0,0]=4
23  B7R1.5  CC1CC1N=C=O MC121381 [0,0,0,1,0,0|0,1,0]=2
24  B7R1.6  NNCC1CCC1 MC106836 [0,0,0,1,0,0|3,0,0]=4
25  B4R0.1  CC(C)=NO CS10884 [2,0,0,0,0,0|0,1,1]=4
26  B4R0.1  CC(C)C#N MC41920 [2,0,0,0,0,0|1,0,1]=4
27  B4R0.1  CC(C)NN CS11525 [2,0,0,0,0,0|1,0,1]=4
28  B4R0.1  CC(C)ON CS13668 [2,0,0,0,0,0|2,0,0]=4
29  B4R0.1  CC(C)[Zn]Br MC121350 [2,0,0,0,0,0|2,0,0]=4
30  B4R0.1  CC(Cl)CO CS20251 [2,0,0,0,0,0|2,0,0]=4
31  B4R0.1  CC(Cl)CO MC428270 [2,0,0,0,0,0|2,0,0]=4
32  B4R0.1  CC(N)CN CS20323 [2,0,0,0,0,0|1,0,1]=4
33  B4R0.1  CC(N)CN MC10147 [2,0,0,0,0,0|1,0,1]=4
34  B4R0.1  CC(N)CO CS14182 [2,0,0,0,0,0|1,0,1]=4
35  B4R0.1  CC(N)CO CS19476 [2,0,0,0,0,0|1,0,1]=4
36  B4R0.1  CC(N)CO CS21310 [2,0,0,0,0,0|1,0,1]=4
37  B4R0.1  CC(O)CCl MC20696 [2,0,0,0,0,0|1,1,0]=4
38  B4R0.1  CC(O)CCl MC20697 [2,0,0,0,0,0|1,1,0]=4
39  B4R0.1  CC(O)CN CS14075 [2,0,0,0,0,0|1,1,0]=4
40  B4R0.1  CC(O)CO MC20330 [2,0,0,0,0,0|1,1,0]=4
41  B4R0.1  CCC(C)O MC10786 [2,0,0,0,0,0|0,1,0]=3
42  B4R0.2  CCCC=O MC41868 [2,0,0,0,0,0|0,1,1]=4
43  B4R0.2  CCCCO MC41869 [2,0,0,0,0,0|0,1,1]=4
44  B4R0.2  CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4
45  B6R0.8  C#CC(C)(N)CC CS22059 [1,1,0,0,0,0|1,0,1]=4
46  B6R0.8  CCC(C)(N)C#N CS17000 [1,1,0,0,0,0|1,0,1]=4
47  B6R1.3  O=C=NC1CC1 MC418391 [1,0,0,1,0,0|0,1,0]=3