0  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.18  C[C@@H](N)CC1=CC=CC=C1 HMDB0012128 [0,0,0,0,0,0|2,0,1]=3
2  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,0,0,0,0,0|2,0,1]=3
3  B10R1.18  OC(=O)CC1=CC=CC=N1 HMDB0060722 [0,0,0,0,0,0|1,0,0]=1
4  B11R1.20  CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,1,0,0,0,0|2,0,0]=3
5  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,1,0,0,0,0|2,0,0]=3
6  B11R1.20  CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,1,0,0,0,0|2,0,1]=4
7  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [0,1,0,0,0,0|2,0,1]=4
8  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,1,0,0,0,0|2,0,1]=4
9  B11R1.509  CC(C)(N)CC1=CC=CC=C1 HMDB0014337 [0,1,0,0,0,0|2,0,1]=4
10  B11R2.4  N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [0,0,0,0,1,0|1,0,0]=2
12  B9R1.6  NC(=O)C1=NC=CN=C1 HMDB0014483 [0,0,0,0,1,0|3,0,0]=4
13  B9R1.6  OC(=O)C1=CC=NC=C1 HMDB0060665 [0,0,0,0,1,0|1,0,0]=2
14  B9R1.6  OC(=O)C1=CN=CC=C1 HMDB0001488 [0,0,0,0,1,0|1,0,0]=2
15  B9R1.6  OC(=O)C1=CN=CC=N1 HMDB0059734 [0,0,0,0,1,0|2,0,0]=3
16  B11R1.91  OC(=O)C#CC1=CC=CC=C1 HMDB0002359 [0,0,0,0,0,1|0,0,1]=2
17  B11R1.91  OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,0,1|0,0,0]=1
18  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [2,0,0,0,0,0|0,0,0]=2
19  B10R1.15  C=C(C=O)C1=CC=CC=C1 HMDB0060671 [1,1,0,0,0,0|0,0,1]=3
20  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [1,1,0,0,0,0|1,0,1]=4
21  B10R1.17  O=COCC1=CC=CC=C1 HMDB0041485 [1,1,0,0,0,0|0,0,0]=2
22  B10R1.13  OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,1,0,0,1,0|0,0,0]=2
23  B10R1.61  NC(=O)C1=CC=CC=C1O HMDB0015687 [0,1,0,0,1,0|1,0,0]=3
24  B10R1.61  OC(=O)C1=CC=CC=C1O HMDB0001895 [0,1,0,0,1,0|0,0,0]=2
25  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015469 [0,1,0,0,1,0|0,0,1]=3
26  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015470 [0,1,0,0,1,0|0,0,1]=3
27  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015473 [0,1,0,0,1,0|0,0,1]=3
28  B12R1.21  OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,1,0,0,0,1|0,0,0]=2
29  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [0,1,0,0,0,1|0,0,0]=2
30  B12R1.19  CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|1,0,0]=3
31  B10R2.7  O1C=CC2=C1C=CC=C2 HMDB0032929 [1,0,0,1,0,0|0,0,1]=3
32  B12R2.24  O=C1OC2=CC=CC=C2C=C1 HMDB0001218 [0,0,0,1,0,1|0,0,1]=3
33  B12R2.606  ClC1=CC2=C(OC(=O)N2)C=C1 HMDB0014500 [0,1,0,1,0,0|1,0,0]=3
34  B8R1.7  OC(=O)C1=CNN=C1 HMDB0060760 [0,0,0,0,2,0|2,0,0]=4
35  B12R1.252  OC(=O)CCOC1=CC=CC=C1 HMDB0002229 [0,0,0,0,0,2|0,0,0]=2