0  B4R0.2  C/C=C\C=O HMDB0034233 [0,0,0,0,0,0|0,0,2]=2
1  B3R0.1  C(=O)CCl HMDB0013860 [1,0,0,0,0,0|1,0,0]=2
2  B3R0.1  C=CC=O HMDB0041822 [1,0,0,0,0,0|0,0,2]=3
3  B3R0.1  NCCN HMDB0031225 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.3  OCC(S)CS HMDB0015677 [0,1,0,0,0,0|1,0,2]=4
5  B5R1.3  ClCC1CO1 HMDB0014796 [0,0,0,1,0,0|1,0,2]=4
6  B2R0.1  CC=O HMDB0000990 [2,0,0,0,0,0|0,0,0]=2
7  B2R0.1  CSC HMDB0002303 [2,0,0,0,0,0|1,0,0]=3
8  B2R0.1  O=C=O HMDB0001967 [2,0,0,0,0,0|1,0,1]=4
9  B2R0.1  O=[Si]=O HMDB0014657 [2,0,0,0,0,0|1,1,0]=4
10  B2R0.1  OC=O HMDB0000142 [2,0,0,0,0,0|1,0,0]=3
11  B4R0.1  CC(=O)NO HMDB0014691 [1,1,0,0,0,0|2,0,0]=4
12  B4R0.1  CC(O)CO HMDB0001881 [1,1,0,0,0,0|0,0,1]=3
13  B4R0.1  NC(=O)NO HMDB0015140 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [0,2,0,0,0,0|1,0,1]=4
15  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,2,0,0,0,0|0,0,0]=2
16  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,2,0,0,0,0|1,0,0]=3
17  B6R0.4  CCCOC(C)=O HMDB0034237 [0,2,0,0,0,0|0,0,0]=2
18  B6R0.4  OCCCC([O-])=O HMDB0015507 [0,2,0,0,0,0|0,0,0]=2
19  B6R0.6  ClCCNCCCl HMDB0060688 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.6  OCCNCCO HMDB0004437 [0,2,0,0,0,0|0,0,2]=4
21  B6R1.1  C1CNCCN1 HMDB0014730 [0,1,0,1,0,0|1,0,1]=4