0  B4R0.2  C=CCC=C 102032 [0,0,0,0,0,0|1,0,3]=4
1  B4R0.2  CC[Zn]CC 105051 [0,0,0,0,0,0|2,0,0]=2
2  B3R0.1  C#CCC 009072 [1,0,0,0,0,0|0,0,2]=3
3  B3R0.1  CNNC 371949 [1,0,0,0,0,0|2,0,0]=3
4  B3R0.1  O=CCBr 105198 [1,0,0,0,0,0|1,0,2]=4
5  B5R0.1  CCCS(=O)[O-] 035598 [0,1,0,0,0,0|1,0,1]=3
6  B5R0.1  NC(=O)NCO 101312 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.2  C#CCCCBr 099558 [0,1,0,0,0,0|1,0,1]=3
8  B5R0.2  C=CCCCCl 097807 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.2  CC\C=C\CBr 104983 [0,1,0,0,0,0|1,0,1]=3
10  B5R1.1  C1CCNC1 106070 [0,0,0,1,0,0|1,0,0]=2
11  B5R1.1  C1CCOC1 102404 [0,0,0,1,0,0|0,0,0]=1
12  B5R1.3  SCC1CC1 099822 [0,0,0,1,0,0|0,1,0]=2
13  B5R1.3  [C-]#[N+]C1CC1 021033 [0,0,0,1,0,0|2,0,0]=3
14  B2R0.1  C[Zn]Cl 102551 [2,0,0,0,0,0|2,0,0]=4
15  B2R0.1  ClCCl 102413 [2,0,0,0,0,0|2,0,0]=4
16  B2R0.1  [C-]#[N+]C 477126 [2,0,0,0,0,0|1,0,1]=4
17  B4R0.1  CNN(C)C 062215 [1,1,0,0,0,0|2,0,0]=4
18  B4R0.1  [C-]#[N+]C(C)C 480961 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.1  CNC(=O)CCCl 310786 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.4  CCCCS(=O)[O-] 044582 [0,2,0,0,0,0|0,0,1]=3
21  B6R0.4  NCCCC(N)=O 373559 [0,2,0,0,0,0|0,0,2]=4
22  B6R0.5  CC(F)(F)CCO 101918 [0,2,0,0,0,0|0,0,0]=2
23  B6R0.5  COCC(C)(C)N 044036 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.5  O=P(O)(O)CCCl 104639 [0,2,0,0,0,0|2,0,0]=4
25  B6R0.6  C=CCCCNC 104140 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.6  CCOCCNC 104271 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.9  CCN(CC)CC 005055 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.9  CCN(CC)CC 005055 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.9  CCP(CC)CC 099082 [0,2,0,0,0,0|2,0,0]=4
30  B6R1.2  BrC1CCOC1 079615 [0,1,0,1,0,0|0,0,0]=2
31  B6R1.2  CC1CCCO1 105578 [0,1,0,1,0,0|0,0,0]=2
32  B6R1.2  C[C@H]1CCNC1 034511 [0,1,0,1,0,0|1,0,0]=3
33  B6R1.2  O=C1OCCO1 075946 [0,1,0,1,0,0|1,0,1]=4
34  B6R1.1  C1=NCCCC1 403930 [0,1,0,1,0,0|1,0,0]=3
35  B6R1.6  NNC1CCC1 070609 [0,1,0,1,0,0|1,0,0]=3
36  B6R1.6  SCC1CCC1 099277 [0,1,0,1,0,0|0,1,0]=3
37  B6R1.7  N#CC1(Br)CC1 104771 [0,1,0,1,0,0|1,0,1]=4