0  B7R1.3  OC1CCCCC1 YMDB01398 [1,0,0,0,0,0|0,0,2]=3
1  B7R0.3  CCC(=O)CCSC YMDB01450 [0,0,1,0,0,0|1,0,0]=2
2  B7R0.3  COC(=O)CCSC YMDB01750 [0,0,1,0,0,0|2,0,0]=3
3  B7R0.6  CC(=O)OCC(C)C YMDB00572 [0,0,1,0,0,0|1,0,0]=2
4  B7R0.6  CC(=O)OCC(C)C YMDB01589 [0,0,1,0,0,0|1,0,0]=2
5  B6R0.1  CCC(C)CCO YMDB01428 [1,0,1,0,0,0|0,0,1]=3
6  B6R0.1  CCCC(=O)OC YMDB01743 [1,0,1,0,0,0|1,0,0]=3
7  B6R0.1  CCOC(=O)CC YMDB01331 [1,0,1,0,0,0|1,0,0]=3
8  B6R0.4  CC(C)CCCO YMDB01348 [1,0,1,0,0,0|0,0,2]=4
9  B6R0.4  CCCCC(=O)O YMDB01484 [1,0,1,0,0,0|1,0,0]=3
10  B6R0.4  CCCCC(C)O YMDB01793 [1,0,1,0,0,0|0,0,2]=4
11  B6R0.4  CCCOC(C)=O YMDB01390 [1,0,1,0,0,0|1,0,0]=3
12  B6R0.4  NCCCC(=O)O YMDB00335 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.6  CCCCCC=O YMDB01759 [1,0,1,0,0,0|0,0,0]=2
14  B6R0.6  CCCCCCO YMDB01473 [1,0,1,0,0,0|0,0,2]=4
15  B6R0.6  CCC\C=C/C=O YMDB01655 [1,0,1,0,0,0|0,0,2]=4
16  B6R0.6  CCC\C=C\CO YMDB01676 [1,0,1,0,0,0|1,0,1]=4
17  B6R0.6  CCOCCCO YMDB01423 [1,0,1,0,0,0|2,0,0]=4
18  B6R0.6  CC\C=C/CCO YMDB01420 [1,0,1,0,0,0|1,0,1]=4
19  B6R0.6  CC\C=C\CCO YMDB01421 [1,0,1,0,0,0|1,0,1]=4
20  B6R1.1  C1CCNCC1 YMDB01338 [2,0,0,0,0,0|1,0,0]=3
21  B8R0.1  CCCCC(=O)OCC YMDB01342 [0,1,1,0,0,0|0,0,0]=2
22  B8R0.1  CCCOC(=O)CCC YMDB01397 [0,1,1,0,0,0|1,0,0]=3
23  B8R0.1  CCOC(=O)CCCO YMDB01419 [0,1,1,0,0,0|1,0,0]=3
24  B8R0.3  C(C=O)[C@H](O)[C@H](O)CO YMDB00661 [0,1,1,0,0,0|2,0,0]=4
25  B8R0.6  C=CC(=O)CCCCC YMDB01444 [0,1,1,0,0,0|0,0,2]=4
26  B8R0.6  CCCCCC(=O)OC YMDB01333 [0,1,1,0,0,0|1,0,0]=3
27  B8R0.9  CCC(C)COC(C)=O YMDB00568 [0,1,1,0,0,0|1,0,0]=3
28  B8R0.11  CCCCC(CC)CO YMDB01330 [0,1,1,0,0,0|0,0,2]=4
29  B8R0.23  CC(C)CC(=O)C(=O)O YMDB00388 [0,1,1,0,0,0|1,0,1]=4
30  B8R0.23  CC(C)CC(O)C(=O)O YMDB02318 [0,1,1,0,0,0|1,0,0]=3
31  B8R0.23  CC(C)C[C@@H](N)C(=O)O YMDB00997 [0,1,1,0,0,0|1,0,0]=3
32  B8R0.23  CC(C)C[C@H](N)C(=O)O YMDB00387 [0,1,1,0,0,0|1,0,0]=3
33  B8R1.1  CCC1CCC(=O)O1 YMDB01618 [0,1,0,0,1,0|1,0,0]=3
34  B8R1.50  CC1=C(O)C(=O)CC1 YMDB01663 [0,1,0,0,1,0|0,0,2]=4
35  B6R0.2  CC(C)CC(=O)O YMDB01606 [0,0,1,0,1,0|1,0,0]=3
36  B6R0.2  CC(O)CC(=O)O YMDB01561 [0,0,1,0,1,0|2,0,0]=4
37  B6R1.2  O=C1CCCO1 YMDB01418 [1,0,0,0,1,0|1,0,0]=3
38  B8R0.28  CC(=O)CCC=C(C)C YMDB00877 [0,0,1,0,0,1|0,0,1]=3
39  B8R0.28  CC(=O)OCCC(C)C YMDB00571 [0,0,1,0,0,1|0,0,0]=2