0  B8R1.2  COC1=CC=CC=C1 HMDB0033895 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.2  NCC1=CC=CC=C1 HMDB0033871 [0,0,0,0,0,0|2,0,0]=2
2  B7R1.3  CC1=CC=CC=C1 HMDB0034168 [1,0,0,0,0,0|1,0,0]=2
3  B7R1.3  NC1=CC=CC=C1 HMDB0003012 [1,0,0,0,0,0|2,0,0]=3
4  B7R1.3  OC1=CC=CC=C1 HMDB0000228 [1,0,0,0,0,0|1,1,0]=3
5  B9R1.1  CCC1=CC=C(O)C=C1 HMDB0029306 [0,1,0,0,0,0|2,0,0]=3
6  B9R1.1  O=CC1=CC=C(O)C=C1 HMDB0011718 [0,1,0,0,0,0|1,1,1]=4
7  B9R1.6  CC(N)C1=CC=CC=C1 HMDB0002017 [0,1,0,0,0,0|2,0,0]=3
8  B9R1.6  NC(=O)C1=NC=CN=C1 HMDB0014483 [0,1,0,0,0,0|1,1,1]=4
9  B9R1.6  O=C(O)C1=CC=CC=C1 HMDB0001870 [0,1,0,0,0,0|1,1,1]=4
10  B9R1.6  O=C(O)C1=CC=CC=N1 HMDB0002243 [0,1,0,0,0,0|0,1,1]=3
11  B9R1.6  O=C(O)C1=CN=CC=N1 HMDB0059734 [0,1,0,0,0,0|1,1,1]=4
12  B9R1.8  NCCC1=CC=CC=C1 HMDB0012275 [0,1,0,0,0,0|2,0,0]=3
13  B9R1.15  COC1=C(O)C=CC=C1 HMDB0001398 [0,1,0,0,0,0|3,0,0]=4
14  B7R1.1  O=CC1=CC=CO1 HMDB0032914 [0,0,0,0,1,0|1,1,1]=4
15  B7R1.1  OCC1=CC=CO1 HMDB0013742 [0,0,0,0,1,0|1,1,0]=3
16  B7R1.1  OCC1=CNN=C1 HMDB0060768 [0,0,0,0,1,0|2,1,0]=4
17  B8R1.3  CC1=CC=C(O)C=C1 HMDB0001858 [1,1,0,0,0,0|1,0,0]=3
18  B8R1.3  NC1=CC=C(O)C=C1 HMDB0001169 [1,1,0,0,0,0|1,1,0]=4
19  B8R1.3  O=C1C=CC(=O)C=C1 HMDB0003364 [1,1,0,0,0,0|1,1,0]=4
20  B8R1.3  OC1=CC=C(O)C=C1 HMDB0002434 [1,1,0,0,0,0|1,1,0]=4
21  B8R1.4  CC1=CC=CC(O)=C1 HMDB0002048 [1,1,0,0,0,0|1,0,0]=3
22  B8R1.4  NC1=CC=NC(=O)N1 HMDB0000630 [1,1,0,0,0,0|1,1,0]=4
23  B8R1.5  CC1=CC=CC=C1O HMDB0002055 [1,1,0,0,0,0|1,0,0]=3
24  B8R1.5  OC1=CC=CC=C1O HMDB0000957 [1,1,0,0,0,0|1,1,0]=4
25  B8R1.8  NCCC1=CNC=N1 HMDB0000870 [0,1,0,0,1,0|2,0,0]=4
26  B10R1.1  NCCC1=CC=C(O)C=C1 HMDB0000306 [0,2,0,0,0,0|2,0,0]=4
27  B10R1.1  OCCC1=CC=C(O)C=C1 HMDB0004284 [0,2,0,0,0,0|1,1,0]=4
28  B10R1.13  CC1=CC=C(C(C)C)C=C1 HMDB0005805 [0,2,0,0,0,0|2,0,0]=4
29  B10R1.10  NCCC1=CC(O)=CC=C1 HMDB0004989 [0,2,0,0,0,0|2,0,0]=4
30  B10R1.61  CC1=CC=CC=C1C(C)C HMDB0037050 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.61  O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [0,2,0,0,0,0|0,1,1]=4
32  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [0,2,0,0,0,0|1,0,0]=3
33  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [0,2,0,0,0,0|2,0,0]=4
34  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [0,2,0,0,0,0|2,0,0]=4
35  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,2,0,0,0,0|2,0,0]=4
36  B10R1.18  O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,2,0,0,0,0|1,1,0]=4
37  B10R1.18  O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,2,0,0,0,0|0,1,0]=3
38  B10R2.7  C1=CC=C2C(=C1)OCC2 HMDB0013815 [0,1,0,1,0,0|1,1,0]=4
39  B6R1.2  CC1=CC=CO1 HMDB0013749 [1,0,0,0,1,0|1,0,0]=3
40  B6R1.2  CC1=CNN=C1 HMDB0015344 [1,0,0,0,1,0|2,0,0]=4