0  B3R0.1  N[13CH2][13CH2]O 105350 [0,0,0,0,0,0|1,0,3]=4
1  B3R0.1  [C-]#[N+]CC 433365 [0,0,0,0,0,0|2,0,2]=4
2  B2R0.1  C[13CH2]I 105184 [1,0,0,0,0,0|1,0,2]=4
3  B2R0.1  ClCCl 035912 [1,0,0,0,0,0|2,0,1]=4
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|1,0,2]=4
6  B4R0.1  COC(N)=S 105257 [0,1,0,0,0,0|1,1,1]=4
7  B4R0.1  [13CH](=O)N(C)C 105188 [0,1,0,0,0,0|1,0,1]=3
8  B4R0.1  [2H]C(=O)OC 105254 [0,1,0,0,0,0|1,0,1]=3
9  B4R0.2  CCN=C=O 386377 [0,1,0,0,0,0|0,0,3]=4
10  B4R0.2  COCC=O 105128 [0,1,0,0,0,0|0,0,2]=3
11  B1R0.1  CI 001363 [2,0,0,0,0,0|1,0,1]=4
12  B1R0.1  CO 035910 [2,0,0,0,0,0|0,0,2]=4
13  B1R0.1  [13CH3]I 105189 [2,0,0,0,0,0|1,0,1]=4
14  B3R0.2  CC(=O)O 035907 [1,1,0,0,0,0|0,0,1]=3
15  B3R0.2  CC(=O)O 044721 [1,1,0,0,0,0|0,0,1]=3
16  B3R0.2  CC(C)=O 050332 [1,1,0,0,0,0|0,0,1]=3
17  B3R0.2  O=C(O)O 094746 [1,1,0,0,0,0|1,0,0]=3
18  B3R0.2  O=C(O)O 105338 [1,1,0,0,0,0|1,0,0]=3
19  B3R0.2  O=C([O-])[O-] 044706 [1,1,0,0,0,0|1,0,0]=3
20  B3R0.2  O=C([O-])[O-] 245931 [1,1,0,0,0,0|1,0,0]=3
21  B3R0.2  [2H]C(=O)O 105268 [1,1,0,0,0,0|1,0,0]=3
22  B3R0.2  [2H]C(=O)[O-] 105199 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.1  [2H]C(=O)OCC 105259 [0,2,0,0,0,0|0,0,2]=4
24  B5R0.3  CNC(=O)NN 237741 [0,2,0,0,0,0|1,0,1]=4
25  B5R0.5  O=C(Cl)C(F)Cl 104873 [0,2,0,0,0,0|1,0,1]=4
26  B5R0.2  N#CCCC=O 101160 [0,2,0,0,0,0|0,0,2]=4