0  B3R0.2  CC(O)=O HMDB0000042 [0,0,0,0,0,0|0,0,0]=0
1  B3R0.2  CS(C)=O HMDB0002151 [0,0,0,0,0,0|2,0,0]=2
2  B3R0.2  [O-][N+]([O-])=O HMDB0015612 [0,0,0,0,0,0|2,0,1]=3
3  B2R0.1  CC=O HMDB0000990 [1,0,0,0,0,0|0,0,0]=1
4  B2R0.1  CSC HMDB0002303 [1,0,0,0,0,0|2,0,0]=3
5  B2R0.1  O=C=O HMDB0001967 [1,0,0,0,0,0|0,0,2]=3
6  B2R0.1  O=[Si]=O HMDB0014657 [1,0,0,0,0,0|0,1,1]=3
7  B2R0.1  OC=O HMDB0000142 [1,0,0,0,0,0|0,0,0]=1
8  B2R0.1  [O-][N+]#N HMDB0035807 [1,0,0,0,0,0|2,0,1]=4
9  B4R0.1  CC(=O)NO HMDB0014691 [0,1,0,0,0,0|0,0,0]=1
10  B4R0.1  CC(O)=NN HMDB0060428 [0,1,0,0,0,0|1,0,0]=2
11  B4R0.1  CC(O)CO HMDB0001881 [0,1,0,0,0,0|0,0,2]=3
12  B4R0.1  NC(=O)NO HMDB0015140 [0,1,0,0,0,0|1,0,0]=2
13  B4R0.3  CS(C)(=O)=O HMDB0004983 [0,1,0,0,0,0|1,0,1]=3
14  B4R0.3  C[N+](C)(C)[O-] HMDB0000925 [0,1,0,0,0,0|2,0,1]=4
15  B4R0.3  NS(O)(=O)=O HMDB0034830 [0,1,0,0,0,0|2,0,0]=3
16  B4R0.3  [O-]P([O-])([O-])=O HMDB0001429 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.3  [O-]S([O-])(=O)=O HMDB0014791 [0,1,0,0,0,0|2,0,1]=4
18  B1R0.1  C=O HMDB0001426 [2,0,0,0,0,0|0,0,0]=2
19  B1R0.1  CO HMDB0001875 [2,0,0,0,0,0|0,0,0]=2
20  B1R0.1  II HMDB0000675 [2,0,0,0,0,0|2,0,0]=4
21  B1R0.1  N#N HMDB0001371 [2,0,0,0,0,0|2,0,0]=4
22  B1R0.1  NN HMDB0012973 [2,0,0,0,0,0|2,0,0]=4
23  B1R0.1  NO HMDB0003338 [2,0,0,0,0,0|1,0,0]=3
24  B1R0.1  S=[Se] HMDB0015106 [2,0,0,0,0,0|0,2,0]=4
25  B3R0.1  C(=O)CCl HMDB0013860 [1,1,0,0,0,0|0,0,0]=2
26  B3R0.1  C=CC=O HMDB0041822 [1,1,0,0,0,0|0,0,1]=3
27  B3R0.1  NCCN HMDB0031225 [1,1,0,0,0,0|1,0,1]=4
28  B5R0.3  NCC(=O)O[Al] HMDB0015457 [0,2,0,0,0,0|0,0,0]=2
29  B5R0.3  OCC(S)CS HMDB0015677 [0,2,0,0,0,0|0,1,1]=4
30  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,2,0,0,0,0|0,0,1]=3
31  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [0,2,0,0,0,0|0,0,2]=4
32  B5R0.5  OC(=O)C(O)=O HMDB0002329 [0,2,0,0,0,0|0,0,1]=3
33  B5R1.3  ClCC1CO1 HMDB0014796 [0,1,0,1,0,0|1,0,1]=4