0  B3R0.1  N[13CH2][13CH2]O 105350 [0,0,0,0,0,0|0,0,0]=0
1  B3R0.1  [C-]#[N+]CC 433365 [0,0,0,0,0,0|3,0,0]=3
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|1,0,1]=3
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|2,0,1]=4
7  B4R0.1  N#CC(F)I 038351 [0,1,0,0,0,0|1,0,2]=4
8  B4R0.2  CCN=C=O 386377 [0,1,0,0,0,0|1,0,2]=4
9  B4R0.2  COCC=O 105128 [0,1,0,0,0,0|1,0,1]=3
10  B4R0.2  CSCCBr 472152 [0,1,0,0,0,0|1,1,0]=3
11  B1R0.1  CI 001363 [2,0,0,0,0,0|1,0,0]=3
12  B1R0.1  CO 035910 [2,0,0,0,0,0|0,0,0]=2
13  B1R0.1  [13CH3]I 105189 [2,0,0,0,0,0|1,0,0]=3
14  B3R0.2  C(F)(F)F 003327 [1,1,0,0,0,0|2,0,0]=4
15  B3R0.2  CC(=O)O 035907 [1,1,0,0,0,0|0,0,1]=3
16  B3R0.2  CC(=O)O 044721 [1,1,0,0,0,0|0,0,1]=3
17  B3R0.2  CC(C)=O 050332 [1,1,0,0,0,0|0,0,2]=4
18  B3R0.2  O=C(O)O 094746 [1,1,0,0,0,0|1,0,1]=4
19  B3R0.2  O=C(O)O 105338 [1,1,0,0,0,0|1,0,1]=4
20  B3R0.2  [2H]C(=O)O 105268 [1,1,0,0,0,0|1,0,1]=4
21  B5R0.1  CCOC(N)=S 105176 [0,2,0,0,0,0|1,0,1]=4
22  B5R0.1  CNCC(F)F 436159 [0,2,0,0,0,0|1,0,0]=3
23  B5R0.1  NNCC(F)F 094029 [0,2,0,0,0,0|1,0,0]=3
24  B5R0.3  CC(CCl)CCl 098443 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.3  CCC(S)CC 105148 [0,2,0,0,0,0|1,1,0]=4
26  B5R0.4  CC(C)(C)CBr 403118 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.4  CC(C)(F)CBr 386871 [0,2,0,0,0,0|2,0,0]=4
28  B5R0.4  CC(C)(F)CO 104410 [0,2,0,0,0,0|1,0,0]=3
29  B5R0.4  CC(C)(N)C#N 030869 [0,2,0,0,0,0|1,0,1]=4
30  B5R0.4  CC(C)(N)C#N 078649 [0,2,0,0,0,0|1,0,1]=4
31  B5R0.2  CCOCC#N 104806 [0,2,0,0,0,0|0,0,2]=4
32  B5R0.2  CSCCC#N 371092 [0,2,0,0,0,0|0,1,1]=4
33  B5R0.2  N#CCCC=O 101160 [0,2,0,0,0,0|0,0,2]=4
34  B5R1.1  C1CCOC1 046883 [0,1,0,1,0,0|1,0,0]=3
35  B5R1.1  C1CCOC1 046883 [0,1,0,1,0,0|1,0,0]=3
36  B5R1.1  C1CCOC1 106169 [0,1,0,1,0,0|1,0,0]=3