0  B3R0.1  N[13CH2][13CH2]O 105350 [0,0,0,0,0,0|1,0,2]=3
1  B3R0.1  [C-]#[N+]CC 433365 [0,0,0,0,0,0|2,0,0]=2
2  B2R0.1  C[13CH2]I 105184 [1,0,0,0,0,0|1,0,0]=2
3  B2R0.1  ClCCl 035912 [1,0,0,0,0,0|2,0,0]=3
4  B2R0.1  O=CO 080324 [1,0,0,0,0,0|1,0,0]=2
5  B2R0.1  [13CH3][13CH2]I 105187 [1,0,0,0,0,0|1,0,0]=2
6  B4R0.1  COC(N)=S 105257 [0,1,0,0,0,0|1,1,0]=3
7  B4R0.1  N#CC(F)I 038351 [0,1,0,0,0,0|2,0,1]=4
8  B4R0.1  [13CH](=O)N(C)C 105188 [0,1,0,0,0,0|1,0,0]=2
9  B4R0.1  [2H]C(=O)OC 105254 [0,1,0,0,0,0|1,0,0]=2
10  B4R0.2  CCN=C=O 386377 [0,1,0,0,0,0|0,0,1]=2
11  B4R0.2  COCC=O 105128 [0,1,0,0,0,0|0,0,0]=1
12  B4R0.2  CSCCBr 472152 [0,1,0,0,0,0|1,0,1]=3
13  B1R0.1  CI 001363 [2,0,0,0,0,0|1,0,0]=3
14  B1R0.1  CO 035910 [2,0,0,0,0,0|0,0,1]=3
15  B1R0.1  [13CH3]I 105189 [2,0,0,0,0,0|1,0,0]=3
16  B3R0.2  C(F)(F)F 003327 [1,1,0,0,0,0|2,0,0]=4
17  B3R0.2  CC(=O)O 035907 [1,1,0,0,0,0|0,0,0]=2
18  B3R0.2  CC(=O)O 044721 [1,1,0,0,0,0|0,0,0]=2
19  B3R0.2  CC(C)=O 050332 [1,1,0,0,0,0|0,0,0]=2
20  B3R0.2  O=C(O)O 094746 [1,1,0,0,0,0|1,0,0]=3
21  B3R0.2  O=C(O)O 105338 [1,1,0,0,0,0|1,0,0]=3
22  B3R0.2  O=C([O-])[O-] 044706 [1,1,0,0,0,0|1,0,0]=3
23  B3R0.2  O=C([O-])[O-] 245931 [1,1,0,0,0,0|1,0,0]=3
24  B3R0.2  [2H]C(=O)O 105268 [1,1,0,0,0,0|1,0,0]=3
25  B3R0.2  [2H]C(=O)[O-] 105199 [1,1,0,0,0,0|1,0,0]=3
26  B5R0.1  CCOC(=S)Cl 470560 [0,2,0,0,0,0|0,1,0]=3
27  B5R0.1  CCOC(N)=S 105176 [0,2,0,0,0,0|0,1,0]=3
28  B5R0.1  CNCC(F)F 436159 [0,2,0,0,0,0|1,0,1]=4
29  B5R0.1  NNCC(F)F 094029 [0,2,0,0,0,0|2,0,0]=4
30  B5R0.1  [2H]C(=O)OCC 105259 [0,2,0,0,0,0|0,0,0]=2
31  B5R0.3  CC(CCl)CCl 098443 [0,2,0,0,0,0|1,0,1]=4
32  B5R0.3  CCC(S)CC 105148 [0,2,0,0,0,0|0,1,1]=4
33  B5R0.3  CNC(=O)NN 237741 [0,2,0,0,0,0|1,0,0]=3
34  B5R0.4  CC(C)(C)CBr 403118 [0,2,0,0,0,0|1,0,1]=4
35  B5R0.4  CC(C)(F)C#N 062795 [0,2,0,0,0,0|1,0,1]=4
36  B5R0.4  CC(C)(F)CBr 386871 [0,2,0,0,0,0|1,0,1]=4
37  B5R0.4  CC(C)(F)CO 104410 [0,2,0,0,0,0|0,0,2]=4
38  B5R0.4  CC(C)(N)C#N 030869 [0,2,0,0,0,0|1,0,1]=4
39  B5R0.4  CC(C)(N)C#N 078649 [0,2,0,0,0,0|1,0,1]=4
40  B5R0.4  COC(C)(C)C 044713 [0,2,0,0,0,0|2,0,0]=4
41  B5R0.4  COC(C)(C)C 106403 [0,2,0,0,0,0|2,0,0]=4
42  B5R0.5  O=C(Cl)C(F)Cl 104873 [0,2,0,0,0,0|1,0,0]=3
43  B5R0.2  CCOCC#N 104806 [0,2,0,0,0,0|1,0,1]=4
44  B5R0.2  CSCCC#N 371092 [0,2,0,0,0,0|1,0,1]=4
45  B5R0.2  N#CCCC=O 101160 [0,2,0,0,0,0|0,0,0]=2
46  B5R1.1  C1CCOC1 046883 [0,1,0,1,0,0|0,0,2]=4
47  B5R1.1  C1CCOC1 046883 [0,1,0,1,0,0|0,0,2]=4
48  B5R1.1  C1CCOC1 106169 [0,1,0,1,0,0|0,0,2]=4