0  B11R1.19  CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.19  CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,0,0,0,0,0|2,0,0]=2
2  B10R1.13  CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|1,0,2]=4
3  B10R1.13  CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|2,0,1]=4
4  B10R1.13  CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|1,0,2]=4
5  B10R1.13  CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|0,0,0]=1
6  B10R1.13  CC(C)C1=CCC(C)=CC1 HMDB0005806 [1,0,0,0,0,0|1,0,2]=4
7  B10R1.13  CC(C)C1=CCC(C)C=C1 HMDB0038150 [1,0,0,0,0,0|1,0,2]=4
8  B10R1.13  CC(C)C1=NC=C(C)N=C1 HMDB0037151 [1,0,0,0,0,0|3,0,0]=4
9  B10R1.13  CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|1,0,2]=4
10  B10R1.13  CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,0,0,0,0,0|2,0,0]=3
11  B10R1.13  [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|1,0,2]=4
12  B10R1.13  [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|1,0,2]=4
13  B10R1.28  [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [1,0,0,0,0,0|0,0,1]=2
14  B12R1.9  COC(C)(C)C1=CC=C(C)C=C1 HMDB0029653 [0,1,0,0,0,0|1,0,0]=2
15  B9R1.1  CC1=CC=C(CO)C=C1 HMDB0041609 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.1  CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|0,0,0]=2
17  B9R1.1  CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.1  CCC1=NC=C(C)C=C1 HMDB0040041 [2,0,0,0,0,0|2,0,0]=4
19  B9R1.1  COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|2,0,0]=4
20  B9R1.1  COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4
21  B9R1.1  COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|1,0,0]=3
22  B9R1.1  NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|1,0,0]=3
23  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [2,0,0,0,0,0|1,0,1]=4
24  B9R1.6  CC(C)C1=CC=CC=C1 HMDB0034029 [2,0,0,0,0,0|0,0,0]=2
25  B9R1.6  CC(C)C1=CN=CC=N1 HMDB0041570 [2,0,0,0,0,0|2,0,0]=4
26  B9R1.6  CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,0]=3
27  B9R1.6  CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|1,0,0]=3
28  B11R1.3  CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|0,0,0]=2
29  B11R1.3  COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,1]=4
30  B11R1.3  COC1=NC=C(N=C1)C(C)C HMDB0040052 [1,1,0,0,0,0|2,0,0]=4
31  B11R1.21  CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|1,0,1]=4
32  B11R1.21  CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|1,0,0]=3
33  B11R1.22  CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|1,0,1]=4
34  B11R1.22  CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|1,0,0]=3
35  B11R1.22  COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|1,0,1]=4
36  B11R1.22  OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|1,0,1]=4
37  B11R1.166  CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [1,1,0,0,0,0|1,0,1]=4
38  B9R1.35  CC(C)C1=CC=C(C)O1 HMDB0033238 [1,0,0,0,1,0|2,0,0]=4
39  B11R1.509  CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [1,0,0,0,0,1|1,0,0]=3