0  B3R0.1  C#CCC 009072 [0,0,0,0,0,0|1,0,1]=2
1  B3R0.1  C=CC=O 103755 [0,0,0,0,0,0|0,1,3]=4
2  B3R0.1  CNNC 371949 [0,0,0,0,0,0|3,0,0]=3
3  B3R0.1  O=CCBr 105198 [0,0,0,0,0,0|1,1,1]=3
4  B2R0.1  C[Zn]Cl 102551 [1,0,0,0,0,0|2,0,0]=3
5  B2R0.1  ClCCl 102413 [1,0,0,0,0,0|2,0,0]=3
6  B2R0.1  F[Xe]F 003343 [1,0,0,0,0,0|3,0,0]=4
7  B2R0.1  O=S=O 099645 [1,0,0,0,0,0|2,1,0]=4
8  B2R0.1  [C-]#[N+]C 477126 [1,0,0,0,0,0|1,0,1]=3
9  B4R0.1  C=NN(C)C 062220 [0,1,0,0,0,0|3,0,0]=4
10  B4R0.1  CNN(C)C 062215 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  O=CC(Cl)Cl 103095 [0,1,0,0,0,0|1,1,1]=4
12  B4R0.1  [C-]#[N+]C(C)C 480961 [0,1,0,0,0,0|2,0,0]=3
13  B4R0.2  C=CCC=C 102032 [0,1,0,0,0,0|1,0,2]=4
14  B4R0.2  CC[Zn]CC 105051 [0,1,0,0,0,0|1,0,0]=2
15  B1R0.1  ClCl 099142 [2,0,0,0,0,0|2,0,0]=4
16  B1R0.1  [2H][2H] 104155 [2,0,0,0,0,0|2,0,0]=4
17  B1R0.1  [H][H] 101507 [2,0,0,0,0,0|2,0,0]=4
18  B3R0.2  C[AlH3](C)C 098855 [1,1,0,0,0,0|1,0,0]=3
19  B3R0.2  FC(F)I 023924 [1,1,0,0,0,0|2,0,0]=4
20  B3R0.2  FC(F)I 105676 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.1  CCCS(=O)[O-] 035598 [0,2,0,0,0,0|0,0,1]=3
22  B5R0.4  CC(C)(Br)C#N 102470 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.5  C[C@H](N)C(N)=O 094668 [0,2,0,0,0,0|0,1,1]=4
24  B5R0.2  C#CCCCBr 099558 [0,2,0,0,0,0|1,0,0]=3
25  B5R0.2  C=CCCCCl 097807 [0,2,0,0,0,0|1,0,0]=3
26  B5R0.2  CC\C=C\CBr 104983 [0,2,0,0,0,0|1,0,0]=3
27  B5R1.3  SCC1CC1 099822 [0,1,0,1,0,0|0,0,0]=2
28  B5R1.3  [C-]#[N+]C1CC1 021033 [0,1,0,1,0,0|1,0,0]=3
29  B5R1.1  C1CCNC1 106070 [0,1,0,1,0,0|1,0,0]=3
30  B5R1.1  C1CCOC1 102404 [0,1,0,1,0,0|0,1,0]=3