0  B11R1.27  CCCCC[C@H]1CCC(=O)O1 C08501 [0,1,0,0,0,0|0,0,0]=1
1  B9R0.2  CCCCCCCC(=O)O C06423 [0,0,1,0,0,0|0,0,0]=1
2  B9R0.2  O=C(O)CCCCCCS C16593 [0,0,1,0,0,0|1,0,0]=2
3  B9R0.2  O=CCCCCCC(=O)O C16590 [0,0,1,0,0,0|1,0,1]=3
4  B11R2.1  [C@@H]12CCCCN1CCC2=O C16697 [0,0,0,1,0,0|2,0,0]=3
5  B8R0.4  CCCCCCCC=O C01545 [1,0,1,0,0,0|0,0,0]=2
6  B8R0.4  CCCCCCCCN C01740 [1,0,1,0,0,0|1,0,1]=4
7  B8R0.4  CCCCCCCCO C00756 [1,0,1,0,0,0|0,0,1]=3
8  B8R0.4  CCCCC\C=C\C=O C21138 [1,0,1,0,0,0|0,0,2]=4
9  B8R0.7  CC(=O)NCCCCN C02714 [1,0,1,0,0,0|2,0,0]=4
10  B8R0.7  CCCCCCC(=O)O C17714 [1,0,1,0,0,0|0,0,0]=2
11  B8R0.7  NCCCCCC(=O)O C02378 [1,0,1,0,0,0|1,0,0]=3
12  B8R0.7  O=C(O)CCCCCO C06103 [1,0,1,0,0,0|1,0,0]=3
13  B8R0.7  O=CCCCCC(=O)O C06102 [1,0,1,0,0,0|1,0,1]=4
14  B8R0.11  CCCCC(CC)CO C02498 [1,0,1,0,0,0|0,0,2]=4
15  B8R0.6  C=CC(=O)OCCCC C10921 [1,0,1,0,0,0|0,0,2]=4
16  B8R0.6  CCCCCC(=O)CC C17145 [1,0,1,0,0,0|0,0,0]=2
17  B8R0.6  CCCCCC(=O)NC C02722 [1,0,1,0,0,0|1,0,0]=3
18  B8R0.6  CCCCCC(O)CC C17144 [1,0,1,0,0,0|0,0,2]=4
19  B8R0.6  [*]SC(=O)CCCCC C05749 [1,0,1,0,0,0|2,0,0]=4
20  B10R0.4  CCCCCCCCC(=O)O C01601 [0,1,1,0,0,0|0,0,0]=2
21  B10R0.6  CCCCCC(O)CC(=O)O C20793 [0,1,1,0,0,0|0,0,0]=2
22  B10R0.74  [*]NC(=O)CCCCCCC C16236 [0,1,1,0,0,0|1,0,0]=3
23  B10R0.74  [*]SC(=O)CCCCCCC C05752 [0,1,1,0,0,0|0,1,0]=3
24  B10R0.75  CNCCCC[C@H](N)C(=O)O C02728 [0,1,1,0,0,0|1,0,0]=3
25  B10R0.75  CSCCCCC(=O)C(=O)O C17216 [0,1,1,0,0,0|1,0,1]=4
26  B10R0.75  CSCCCC[C@H](N)C(=O)O C17217 [0,1,1,0,0,0|1,0,0]=3
27  B10R0.75  N[C@@H](CCCCNO)C(=O)O C01028 [0,1,1,0,0,0|2,0,0]=4
28  B10R0.97  CC(=O)NCCCCC(=O)O C03087 [0,1,1,0,0,0|1,0,1]=4
29  B10R0.97  O=C(O)CCCCCC(=O)O C02656 [0,1,1,0,0,0|1,0,1]=4
30  B10R0.91  CCCCCC(O)\C=C\C=O C21642 [0,1,1,0,0,0|0,0,2]=4
31  B10R1.18  CC(=O)CC1CCCCN1 C06182 [0,0,1,1,0,0|2,0,0]=4
32  B10R1.18  CC(=O)OC1CCCCC1 C12297 [0,0,1,1,0,0|2,0,0]=4
33  B10R1.64  CC(=O)C[C@@H]1CCCN1C C11359 [0,0,1,1,0,0|2,0,0]=4
34  B10R1.64  CC(=O)C[C@H]1CCCN1C C06179 [0,0,1,1,0,0|2,0,0]=4
35  B10R1.348  O=C(O)C1CCCCCC1 C12104 [0,0,1,1,0,0|0,0,0]=2
36  B12R2.612  [C@H]12CC[C@@H](C)[C@H]1COC(=O)C2 C09772 [0,0,0,1,0,1|1,0,0]=3
37  B8R0.8  CCCC[C@H](N)C(=O)O C01933 [0,0,1,0,1,0|2,0,0]=4