0  B7R0.5  C=C(C)C(=O)OCC YMDB01685 [0,0,0,0,0,0|1,0,1]=2
1  B7R0.5  CCCC(=O)C(C)=O YMDB01708 [0,0,0,0,0,0|1,1,1]=3
2  B7R0.5  CCOC(=O)C(C)O YMDB01429 [0,0,0,0,0,0|0,1,0]=1
3  B6R0.1  CCCC(=O)OC YMDB01743 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.1  CCOC(=O)CC YMDB01331 [1,0,0,0,0,0|0,0,0]=1
5  B6R0.3  CCC(=O)C(=O)O YMDB00071 [1,0,0,0,0,0|1,1,1]=4
6  B6R0.3  CCC(=O)C(C)=O YMDB01434 [1,0,0,0,0,0|0,1,1]=3
7  B6R0.3  COC(=O)C(C)C YMDB01748 [1,0,0,0,0,0|1,0,0]=2
8  B6R0.4  CCCCC(C)O YMDB01793 [1,0,0,0,0,0|1,1,1]=4
9  B8R0.3  CCOC(=O)C(C)CC YMDB01353 [0,1,0,0,0,0|1,0,0]=2
10  B8R1.18  CC1OC(C)C(C)O1 YMDB01362 [0,0,0,1,0,0|1,1,1]=4
11  B8R0.5  CCOC(=O)CC(C)C YMDB01334 [0,0,0,0,0,1|1,0,0]=2
12  B8R0.5  CCOC(=O)CC(C)O YMDB01425 [0,0,0,0,0,1|0,1,0]=2
13  B5R0.1  CCCC(=O)O YMDB01392 [2,0,0,0,0,0|1,1,0]=4
14  B5R0.1  CCOC(C)=O YMDB00569 [2,0,0,0,0,0|0,0,0]=2
15  B5R0.2  CCSSCC YMDB01671 [2,0,0,0,0,0|1,1,0]=4
16  B5R0.3  O=C(CO)CO YMDB00018 [2,0,0,0,0,0|1,1,0]=4
17  B5R0.5  CC(=O)C(=O)O YMDB00175 [2,0,0,0,0,0|0,1,1]=4
18  B5R0.5  CC(=O)C(C)=O YMDB00367 [2,0,0,0,0,0|0,1,1]=4
19  B5R0.5  CC(=O)[C@@H](C)O YMDB00410 [2,0,0,0,0,0|0,1,0]=3
20  B5R0.5  CC(C)C(=O)O YMDB01320 [2,0,0,0,0,0|1,0,0]=3
21  B5R0.5  C[C@@H](N)C(=O)O YMDB00993 [2,0,0,0,0,0|1,0,0]=3
22  B5R0.5  C[C@@H](O)C(=O)O YMDB00287 [2,0,0,0,0,0|0,1,0]=3
23  B5R0.5  C[C@H](N)C(=O)O YMDB00154 [2,0,0,0,0,0|1,0,0]=3
24  B5R0.5  C[C@H](O)C(=O)O YMDB00247 [2,0,0,0,0,0|0,1,0]=3
25  B7R0.3  CCC(=O)CCSC YMDB01450 [1,1,0,0,0,0|1,0,0]=3
26  B7R0.3  COC(=O)CCSC YMDB01750 [1,1,0,0,0,0|2,0,0]=4
27  B7R0.7  CCCC(=O)OCC YMDB01385 [1,1,0,0,0,0|0,0,0]=2
28  B7R0.7  CCOC(C)OCC YMDB01369 [1,1,0,0,0,0|1,0,1]=4
29  B7R0.10  CCC(=O)C(O)CC YMDB00804 [1,1,0,0,0,0|1,0,0]=3
30  B9R0.35  CCCC(O)C(=O)OCC YMDB01403 [0,2,0,0,0,0|0,1,0]=3
31  B9R0.47  C=C(C)C(=O)OCCCC YMDB01329 [0,2,0,0,0,0|1,0,1]=4
32  B9R0.47  CCCCOC(=O)C(C)C YMDB01328 [0,2,0,0,0,0|1,0,0]=3
33  B7R1.4  CC1SCCC1=O YMDB01467 [1,0,0,1,0,0|2,0,0]=4
34  B9R1.37  CC1=C(O)C(=O)OC1C YMDB01572 [0,1,0,1,0,0|0,1,1]=4