0  B12R1.30  CCCCC(=O)C1=CC=CC=C1 HMDB0031208 [0,0,0,0,0,0|1,0,0]=1
1  B12R1.30  CCCOC(=O)C1=CC=CC=C1 HMDB0031761 [0,0,0,0,0,0|0,0,0]=0
2  B11R1.16  CNCC(O)C1=CC=CC=C1 HMDB0001387 [1,0,0,0,0,0|1,0,2]=4
3  B13R1.17  CCCOC(=O)C1=CC=C(O)C=C1 HMDB0032574 [0,1,0,0,0,0|0,0,0]=1
4  B13R1.24  CNCCCC(=O)C1=CC=CN=C1 HMDB0001240 [0,1,0,0,0,0|2,0,0]=3
5  B13R1.45  OC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000714 [0,1,0,0,0,0|2,0,1]=4
6  B10R0.71  CCCCC/C=C\C=C\C=C HMDB0030944 [1,0,1,0,0,0|1,0,1]=4
7  B10R1.15  CCC(=O)C1=CC=CC=C1 HMDB0032623 [2,0,0,0,0,0|0,0,0]=2
8  B10R1.15  CCC(O)C1=CC=CC=C1 HMDB0031627 [2,0,0,0,0,0|0,0,2]=4
9  B10R1.15  CNC(=O)C1=CN=CC=C1 HMDB0003152 [2,0,0,0,0,0|2,0,0]=4
10  B10R1.15  COC(=O)C1=CN=CC=C1 HMDB0029806 [2,0,0,0,0,0|1,0,0]=3
11  B10R1.15  CSC(=O)C1=CC=CC=C1 HMDB0029694 [2,0,0,0,0,0|0,1,0]=3
12  B10R1.15  NCC(=O)C1=CC=CC=C1 HMDB0032628 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.17  CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|0,0,1]=3
14  B10R1.17  COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,1]=4
15  B10R1.17  OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|1,0,1]=4
16  B10R1.17  OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|1,0,1]=4
17  B12R1.16  CCOC(=O)C1=CC=C(O)C=C1 HMDB0032573 [1,1,0,0,0,0|0,0,0]=2
18  B12R1.107  CC(C)OC(=O)C1=CC=CC=C1 HMDB0032038 [1,1,0,0,0,0|0,0,0]=2
19  B12R1.308  CCOC(=O)C1=C(O)C=CC=C1 HMDB0029817 [1,1,0,0,0,0|0,0,0]=2
20  B12R1.308  NCCC(=O)C1=C(N)C=CC=C1 HMDB0012246 [1,1,0,0,0,0|1,0,0]=3
21  B12R1.8  CCCCOCC1=CC=CC=C1 HMDB0031311 [1,1,0,0,0,0|0,0,1]=3
22  B12R1.8  OCCCCCC1=CC=CC=C1 HMDB0031624 [1,1,0,0,0,0|1,0,1]=4
23  B12R1.27  CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|0,0,2]=4
24  B12R1.32  CCCC(O)CC1=CC=CC=C1 HMDB0031625 [1,1,0,0,0,0|1,0,1]=4
25  B12R1.35  CCCCCC(=O)C1=CC=CO1 HMDB0032462 [0,1,0,0,1,0|2,0,0]=4
26  B12R1.54  CC(O)CCC(=O)C1=COC=C1 HMDB0030472 [0,1,0,0,1,0|2,0,0]=4
27  B14R1.19  CCCCOC(=O)C1=CC=C(O)C=C1 HMDB0032575 [0,2,0,0,0,0|0,0,0]=2
28  B14R1.163  COC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000859 [0,2,0,0,0,0|1,0,1]=4
29  B14R1.420  CC(C)=CCOC(=O)C1=CC=CC=C1 HMDB0032488 [0,2,0,0,0,0|0,0,1]=3
30  B14R1.540  CC(C)C/C=C(/C=O)C1=CC=CC=C1 HMDB0031855 [0,2,0,0,0,0|1,0,0]=3
31  B12R2.2  C1CN=C(C1)C2=CN=CC=C2 HMDB0030386 [1,0,0,1,0,0|2,0,0]=4
32  B14R2.8  OCC1COC(O1)C2=CC=CC=C2 HMDB0031240 [0,1,0,1,0,0|0,0,2]=4
33  B14R2.510  CC/C=C1/OC(=O)C2=CC=CC=C12 HMDB0031845 [0,1,0,1,0,0|0,0,1]=3
34  B14R1.156  C=CCOC(=O)COC1=CC=CC=C1 HMDB0031610 [0,0,0,0,0,2|0,0,2]=4