0  B4R0.1  CC(=O)NO HMDB0014691 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  CC(O)=NN HMDB0060428 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  CC(O)CO HMDB0001881 [0,0,0,0,0,0|1,0,2]=3
3  B4R0.1  NC(=O)NO HMDB0015140 [0,0,0,0,0,0|3,0,0]=3
4  B3R0.1  C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,0]=2
5  B3R0.1  C=CC=O HMDB0041822 [1,0,0,0,0,0|0,0,2]=3
6  B3R0.1  NCCN HMDB0031225 [1,0,0,0,0,0|2,0,1]=4
7  B3R0.2  CC(O)=O HMDB0000042 [1,0,0,0,0,0|1,0,0]=2
8  B3R0.2  CS(C)=O HMDB0002151 [1,0,0,0,0,0|1,0,0]=2
9  B3R0.2  [O-][N+]([O-])=O HMDB0015612 [1,0,0,0,0,0|3,0,0]=4
10  B5R0.3  NCC(=O)O[Al] HMDB0015457 [0,1,0,0,0,0|2,0,0]=3
11  B5R0.3  OCC(S)CS HMDB0015677 [0,1,0,0,0,0|1,1,1]=4
12  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,1,0,0,0,0|1,0,0]=2
13  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [0,1,0,0,0,0|0,0,2]=3
14  B5R0.5  OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|2,0,1]=4
15  B5R1.3  ClCC1CO1 HMDB0014796 [0,0,0,1,0,0|1,0,2]=4
16  B2R0.1  CC=O HMDB0000990 [2,0,0,0,0,0|0,0,0]=2
17  B2R0.1  CSC HMDB0002303 [2,0,0,0,0,0|1,0,0]=3
18  B2R0.1  O=C=O HMDB0001967 [2,0,0,0,0,0|1,0,1]=4
19  B2R0.1  O=[Si]=O HMDB0014657 [2,0,0,0,0,0|1,1,0]=4
20  B2R0.1  OC=O HMDB0000142 [2,0,0,0,0,0|1,0,0]=3
21  B4R0.2  C/C=C\C=O HMDB0034233 [1,1,0,0,0,0|0,0,1]=3
22  B4R0.3  CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|1,0,0]=3
23  B4R0.3  C[N+](C)(C)[O-] HMDB0000925 [1,1,0,0,0,0|1,0,1]=4
24  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.4  CCCOC(C)=O HMDB0034237 [0,2,0,0,0,0|0,0,0]=2
28  B6R0.4  OCCCC([O-])=O HMDB0015507 [0,2,0,0,0,0|1,0,0]=3
29  B6R0.5  C[N+](C)(C)CCO HMDB0000097 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.7  OC(=O)C(F)(F)F HMDB0014118 [0,2,0,0,0,0|2,0,0]=4