0  B5R0.1  CCCS(=O)[O-] 035598 [0,0,0,0,0,0|4,0,0]=4
1  B5R0.1  C\C=N\N(C)C 101274 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  NC(=O)NCO 101312 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  C=NN(C)C 062220 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  CNN(C)C 062215 [1,0,0,0,0,0|2,0,0]=3
5  B4R0.1  [C-]#[N+]C(C)C 480961 [1,0,0,0,0,0|1,0,1]=3
6  B4R0.2  CC[Zn]CC 105051 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.1  CNC(=O)CCCl 310786 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.5  CC(F)(F)CCO 101918 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.5  COCC(C)(C)N 044036 [0,1,0,0,0,0|2,0,0]=3
10  B6R1.2  BrC1CCOC1 079615 [0,0,0,1,0,0|1,0,0]=2
11  B6R1.2  CC1CCCO1 105578 [0,0,0,1,0,0|2,0,0]=3
12  B6R1.2  C[C@H]1CCNC1 034511 [0,0,0,1,0,0|1,0,0]=2
13  B3R0.1  C#CCC 009072 [2,0,0,0,0,0|0,0,2]=4
14  B3R0.1  CNNC 371949 [2,0,0,0,0,0|2,0,0]=4
15  B3R0.2  C[AlH3](C)C 098855 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.4  CC(C)(Br)C#N 102470 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.4  CS[Si](C)(C)C 103954 [1,1,0,0,0,0|1,1,0]=4
18  B5R0.2  C#CCCCBr 099558 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.2  C=CCCCCl 097807 [1,1,0,0,0,0|1,0,1]=4
20  B5R0.2  CC\C=C\CBr 104983 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.2  CNC(=O)CC(C)C 103448 [0,2,0,0,0,0|0,0,2]=4
22  B7R0.3  CCCCC(N)CC 214311 [0,2,0,0,0,0|2,0,0]=4
23  B7R0.3  CCN(C)CCCO 310482 [0,2,0,0,0,0|1,0,0]=3
24  B7R0.3  CNC(=O)CCOC 091206 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.5  CC(C)C(C)N=C=O 097760 [0,2,0,0,0,0|0,0,2]=4
26  B7R0.7  CCCC(C)N=C=O 097755 [0,2,0,0,0,0|1,0,1]=4
27  B7R0.9  CN(C)CC(F)(F)F 099990 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.16  CC(C)C(Br)C(=O)Cl 477377 [0,2,0,0,0,0|0,0,2]=4
29  B7R0.16  CC(C)[C@@H](Br)C(=O)O 209858 [0,2,0,0,0,0|0,0,1]=3
30  B7R0.4  CC(C)CCN=C=O 044448 [0,2,0,0,0,0|0,0,1]=3
31  B7R0.6  CN(C)CCN(C)C 181603 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.8  CCC#CC(C)(C)O 103639 [0,2,0,0,0,0|1,0,1]=4
33  B5R1.3  SCC1CC1 099822 [1,0,0,1,0,0|0,1,0]=3
34  B5R1.3  [C-]#[N+]C1CC1 021033 [1,0,0,1,0,0|1,0,1]=4
35  B5R1.1  C1CCNC1 106070 [1,0,0,1,0,0|1,0,0]=3
36  B5R1.1  C1CCOC1 102404 [1,0,0,1,0,0|0,0,0]=2
37  B7R1.2  CC1COC(=O)O1 102084 [0,1,0,1,0,0|1,0,1]=4
38  B7R1.3  C[C@@H]1CCCCN1 044539 [0,1,0,1,0,0|1,0,0]=3
39  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [0,1,0,1,0,0|1,0,1]=4
40  B7R1.7  OCCNC1CC1 494797 [0,1,0,1,0,0|0,0,0]=2