0  B7R0.7  CCCC(=O)OCC YMDB01385 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.7  CCCC(S)CCO YMDB01417 [0,0,0,0,0,0|1,2,1]=4
2  B7R0.7  CCOC(C)OCC YMDB01369 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.1  CCC(C)CCO YMDB01428 [1,0,0,0,0,0|1,1,1]=4
4  B6R0.1  CCCC(=O)OC YMDB01743 [1,0,0,0,0,0|1,0,0]=2
5  B6R0.1  CCOC(=O)CC YMDB01331 [1,0,0,0,0,0|0,0,0]=1
6  B6R0.6  CCCCCCO YMDB01473 [1,0,0,0,0,0|1,1,1]=4
7  B6R0.6  CCC\C=C\CO YMDB01676 [1,0,0,0,0,0|1,1,1]=4
8  B6R0.6  CCOCCCO YMDB01423 [1,0,0,0,0,0|0,1,1]=3
9  B6R0.6  CC\C=C/CCO YMDB01420 [1,0,0,0,0,0|1,1,0]=3
10  B6R0.6  CC\C=C\CCO YMDB01421 [1,0,0,0,0,0|1,1,0]=3
11  B8R0.1  CCCCC(=O)OCC YMDB01342 [0,1,0,0,0,0|1,0,0]=2
12  B8R0.1  CCCOC(=O)CCC YMDB01397 [0,1,0,0,0,0|1,0,0]=2
13  B8R0.1  CCOC(=O)CCCO YMDB01419 [0,1,0,0,0,0|0,1,0]=2
14  B8R0.3  CCOC(=O)C(C)CC YMDB01353 [0,1,0,0,0,0|1,0,0]=2
15  B8R0.5  CCOC(=O)CC(C)C YMDB01334 [0,1,0,0,0,0|1,0,0]=2
16  B8R0.5  CCOC(=O)CC(C)O YMDB01425 [0,1,0,0,0,0|0,1,0]=2
17  B8R1.8  SCCC1=CC=CO1 YMDB01460 [0,0,0,1,0,0|1,0,2]=4
18  B5R0.1  CC(C)=CCS YMDB01604 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.1  CCCC(=O)O YMDB01392 [2,0,0,0,0,0|1,0,0]=3
20  B5R0.1  CCOC(C)=O YMDB00569 [2,0,0,0,0,0|0,0,0]=2
21  B5R0.1  NCCC(=O)O YMDB00195 [2,0,0,0,0,0|1,0,0]=3
22  B5R0.2  CCCCCO YMDB01470 [2,0,0,0,0,0|0,1,1]=4
23  B5R0.2  CCSSCC YMDB01671 [2,0,0,0,0,0|1,1,0]=4
24  B5R0.3  O=C(CO)CO YMDB00018 [2,0,0,0,0,0|1,1,0]=4
25  B7R0.3  CCC(=O)CCSC YMDB01450 [1,1,0,0,0,0|0,0,0]=2
26  B7R0.3  COC(=O)CCSC YMDB01750 [1,1,0,0,0,0|0,0,0]=2
27  B7R0.5  C=C(C)C(=O)OCC YMDB01685 [1,1,0,0,0,0|0,0,1]=3
28  B7R0.5  CCCC(=O)C(C)=O YMDB01708 [1,1,0,0,0,0|1,0,1]=4
29  B7R0.5  CCOC(=O)C(C)O YMDB01429 [1,1,0,0,0,0|0,0,0]=2
30  B7R0.10  CCC(=O)C(O)CC YMDB00804 [1,1,0,0,0,0|1,0,0]=3
31  B9R0.5  CCC=CCC(=O)OCC YMDB01357 [0,2,0,0,0,0|1,0,0]=3
32  B9R0.5  CCCCCC(=O)OCC YMDB01381 [0,2,0,0,0,0|1,0,0]=3
33  B9R0.5  CCCCOC(=O)CCC YMDB01399 [0,2,0,0,0,0|1,0,0]=3
34  B9R0.5  CCC\C=C\C(=O)OCC YMDB01365 [0,2,0,0,0,0|1,0,0]=3
35  B9R0.35  CCCC(O)C(=O)OCC YMDB01403 [0,2,0,0,0,0|1,0,0]=3
36  B9R0.48  CCOC(=O)CCC(=O)O YMDB01402 [0,2,0,0,0,0|0,1,0]=3
37  B7R1.4  CC1SCCC1=O YMDB01467 [1,0,0,1,0,0|0,0,0]=2