0  B1R0.1  C=O HMDB0001426 [0,0,0,0,0,0|2,0,0]=2
1  B1R0.1  CO HMDB0001875 [0,0,0,0,0,0|2,0,0]=2
2  B1R0.1  II HMDB0000675 [0,0,0,0,0,0|1,0,0]=1
3  B1R0.1  N#N HMDB0001371 [0,0,0,0,0,0|2,0,0]=2
4  B1R0.1  NN HMDB0012973 [0,0,0,0,0,0|2,0,0]=2
5  B1R0.1  NO HMDB0003338 [0,0,0,0,0,0|2,0,0]=2
6  B1R0.1  S=[Se] HMDB0015106 [0,0,0,0,0,0|2,0,0]=2
7  B0R0.1  C HMDB0002714 [1,0,0,0,0,0|0,0,0]=1
8  B0R0.1  O HMDB0002111 [1,0,0,0,0,0|0,0,0]=1
9  B0R0.1  O HMDB0015458 [1,0,0,0,0,0|0,0,0]=1
10  B0R0.1  P HMDB0001315 [1,0,0,0,0,0|0,0,0]=1
11  B0R0.1  [Al+3] HMDB0001247 [1,0,0,0,0,0|0,0,0]=1
12  B0R0.1  [Al] HMDB0015456 [1,0,0,0,0,0|0,0,0]=1
13  B0R0.1  [B+3] HMDB0002386 [1,0,0,0,0,0|0,0,0]=1
14  B0R0.1  [Bi+3] HMDB0002196 [1,0,0,0,0,0|0,0,0]=1
15  B0R0.1  [Br-] HMDB0002500 [1,0,0,0,0,0|0,0,0]=1
16  B0R0.1  [Ca+2] HMDB0000464 [1,0,0,0,0,0|0,0,0]=1
17  B0R0.1  [Cl-] HMDB0000492 [1,0,0,0,0,0|0,0,0]=1
18  B0R0.1  [Cr+3] HMDB0000599 [1,0,0,0,0,0|0,0,0]=1
19  B0R0.1  [F-] HMDB0000662 [1,0,0,0,0,0|0,0,0]=1
20  B0R0.1  [Fe+2] HMDB0000692 [1,0,0,0,0,0|0,0,0]=1
21  B0R0.1  [Fe] HMDB0015531 [1,0,0,0,0,0|0,0,0]=1
22  B0R0.1  [Gd] HMDB0041899 [1,0,0,0,0,0|0,0,0]=1
23  B0R0.1  [Mg+2] HMDB0000547 [1,0,0,0,0,0|0,0,0]=1
24  B0R0.1  [Na+] HMDB0000588 [1,0,0,0,0,0|0,0,0]=1
25  B0R0.1  [S-2] HMDB0000598 [1,0,0,0,0,0|0,0,0]=1
26  B0R0.1  [Sb+3] HMDB0004118 [1,0,0,0,0,0|0,0,0]=1
27  B0R0.1  [Se+2] HMDB0001349 [1,0,0,0,0,0|0,0,0]=1
28  B0R0.1  [Zn+2] HMDB0001303 [1,0,0,0,0,0|0,0,0]=1
29  B0R0.1  [Zn] HMDB0015532 [1,0,0,0,0,0|0,0,0]=1
30  B2R0.1  CC=O HMDB0000990 [0,1,0,0,0,0|2,0,0]=3
31  B2R0.1  CSC HMDB0002303 [0,1,0,0,0,0|2,0,0]=3
32  B2R0.1  O=C=O HMDB0001967 [0,1,0,0,0,0|2,0,0]=3
33  B2R0.1  O=[Si]=O HMDB0014657 [0,1,0,0,0,0|2,0,0]=3
34  B2R0.1  OC=O HMDB0000142 [0,1,0,0,0,0|2,0,0]=3
35  B2R0.1  [O-][N+]#N HMDB0035807 [0,1,0,0,0,0|2,0,0]=3
36  B3R0.1  C(=O)CCl HMDB0013860 [0,2,0,0,0,0|1,1,0]=4
37  B3R0.1  C=CC=O HMDB0041822 [0,2,0,0,0,0|2,0,0]=4
38  B3R0.1  NCCN HMDB0031225 [0,2,0,0,0,0|2,0,0]=4
39  B3R0.2  CC(O)=O HMDB0000042 [0,2,0,0,0,0|2,0,0]=4
40  B3R0.2  CS(C)=O HMDB0002151 [0,2,0,0,0,0|2,0,0]=4
41  B3R0.2  [O-][N+]([O-])=O HMDB0015612 [0,2,0,0,0,0|2,0,0]=4