0  B10R1.15  C=C(C=O)C1=CC=CC=C1 HMDB0060671 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.15  NNC(=O)C1=CC=NC=C1 HMDB0015086 [0,0,0,0,0,0|3,0,0]=3
2  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,0,0|0,0,0]=1
3  B9R1.6  NC(=O)C1=NC=CN=C1 HMDB0014483 [1,0,0,0,0,0|3,0,0]=4
4  B9R1.6  OC(=O)C1=CC=NC=C1 HMDB0060665 [1,0,0,0,0,0|2,0,0]=3
5  B9R1.6  OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|2,0,0]=3
6  B9R1.6  OC(=O)C1=CN=CC=N1 HMDB0059734 [1,0,0,0,0,0|3,0,0]=4
7  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [0,1,0,0,0,0|0,0,2]=3
8  B11R2.4  N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,0,0,1,0,0|2,0,1]=4
9  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,0,0,0,0,1|2,0,1]=4
10  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [2,0,0,0,0,0|1,0,0]=3
11  B10R1.13  OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|1,0,0]=3
12  B10R1.61  NC(=O)C1=CC=CC=C1O HMDB0015687 [1,1,0,0,0,0|1,0,0]=3
13  B10R1.61  OC(=O)C1=CC=CC=C1O HMDB0001895 [1,1,0,0,0,0|1,0,0]=3
14  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015469 [1,1,0,0,0,0|1,0,0]=3
15  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015470 [1,1,0,0,0,0|1,0,0]=3
16  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015473 [1,1,0,0,0,0|1,0,0]=3
17  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [1,1,0,0,0,0|1,0,1]=4
19  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [1,1,0,0,0,0|0,0,1]=3
20  B10R1.18  C[C@@H](N)CC1=CC=CC=C1 HMDB0012128 [1,1,0,0,0,0|0,0,1]=3
21  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [1,1,0,0,0,0|0,0,1]=3
22  B12R1.10  CC[N+](C)(C)C1=CC(O)=CC=C1 HMDB0015145 [0,2,0,0,0,0|2,0,0]=4
23  B12R1.16  CCOC(=O)C1=CC=C(N)C=C1 HMDB0004992 [0,2,0,0,0,0|0,0,0]=2
24  B12R1.17  CNC[C@H](O)C1=CC(O)=CC=C1 HMDB0002182 [0,2,0,0,0,0|0,0,2]=4
25  B12R1.20  C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1 HMDB0060592 [0,2,0,0,0,0|0,0,2]=4
26  B12R1.225  C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HMDB0014748 [0,2,0,0,0,0|0,0,2]=4
27  B10R2.7  O1C=CC2=C1C=CC=C2 HMDB0032929 [1,0,0,1,0,0|1,0,1]=4
28  B12R2.24  O=C1OC2=CC=CC=C2C=C1 HMDB0001218 [0,0,0,1,0,1|0,0,2]=4