0  B4R0.1  CC(=O)NO HMDB0014691 [0,0,0,0,0,0|1,0,1]=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|0,0,4]=4
3  B4R0.1  NC(=O)NO HMDB0015140 [0,0,0,0,0,0|2,0,1]=3
4  B3R0.1  C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,1]=3
5  B3R0.1  C=CC=O HMDB0041822 [1,0,0,0,0,0|0,0,1]=2
6  B3R0.2  CC(O)=O HMDB0000042 [1,0,0,0,0,0|0,0,1]=2
7  B3R0.2  CS(C)=O HMDB0002151 [1,0,0,0,0,0|1,0,1]=3
8  B3R0.2  [O-][N+]([O-])=O HMDB0015612 [1,0,0,0,0,0|2,0,1]=4
9  B5R0.3  NCC(=O)O[Al] HMDB0015457 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,1,0,0,0,0|0,0,2]=3
11  B5R0.5  OC(=O)C(O)=O HMDB0002329 [0,1,0,0,0,0|1,0,0]=2
12  B2R0.1  CC=O HMDB0000990 [2,0,0,0,0,0|0,0,0]=2
13  B2R0.1  CSC HMDB0002303 [2,0,0,0,0,0|1,0,1]=4
14  B2R0.1  O=C=O HMDB0001967 [2,0,0,0,0,0|0,0,1]=3
15  B2R0.1  O=[Si]=O HMDB0014657 [2,0,0,0,0,0|0,1,0]=3
16  B2R0.1  OC=O HMDB0000142 [2,0,0,0,0,0|0,0,1]=3
17  B4R0.2  C/C=C\C=O HMDB0034233 [1,1,0,0,0,0|0,0,0]=2
18  B4R0.3  CS(C)(=O)=O HMDB0004983 [1,1,0,0,0,0|1,0,0]=3
19  B4R0.3  NS(O)(=O)=O HMDB0034830 [1,1,0,0,0,0|2,0,0]=4
20  B4R0.3  [O-]S([O-])(=O)=O HMDB0014791 [1,1,0,0,0,0|2,0,0]=4
21  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [0,2,0,0,0,0|1,0,0]=3
22  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,2,0,0,0,0|1,0,1]=4
24  B6R0.4  CCCOC(C)=O HMDB0034237 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.7  OC(=O)P(O)(O)=O HMDB0014670 [0,2,0,0,0,0|2,0,0]=4
26  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,1,0,1,0,0|2,0,0]=4