0  B10R1.61  NC(=O)C1=CC=CC=C1O HMDB0015687 [0,0,0,0,0,0|1,0,0]=1
1  B10R1.61  OC(=O)C1=CC=CC=C1O HMDB0001895 [0,0,0,0,0,0|0,0,0]=0
2  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015469 [0,0,0,0,0,0|0,0,1]=1
3  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015470 [0,0,0,0,0,0|0,0,1]=1
4  B10R1.61  OC1=CC=CC=C1C([O-])=O HMDB0015473 [0,0,0,0,0,0|0,0,1]=1
5  B9R1.6  CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,0,0|1,0,0]=2
6  B9R1.6  NC(=O)C1=NC=CN=C1 HMDB0014483 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.6  OC(=O)C1=CC=NC=C1 HMDB0060665 [1,0,0,0,0,0|1,0,0]=2
8  B9R1.6  OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|1,0,0]=2
9  B9R1.6  OC(=O)C1=CN=CC=N1 HMDB0059734 [1,0,0,0,0,0|2,0,0]=3
10  B11R1.159  CC1=C(N)C(=CC=C1)C(O)=O HMDB0060680 [0,1,0,0,0,0|1,0,0]=2
11  B11R1.159  CC1=C(O)C(=CC=C1)C(O)=O HMDB0002390 [0,1,0,0,0,0|0,0,0]=1
12  B11R1.159  NC1=CC=CC(C(O)=O)=C1O HMDB0001972 [0,1,0,0,0,0|0,0,0]=1
13  B11R1.166  CC(C)C1=C(O)C=C(C)C=C1 HMDB0001878 [0,1,0,0,0,0|2,0,1]=4
14  B11R1.166  NC1=CC(O)=C(C=C1)C(O)=O HMDB0014378 [0,1,0,0,0,0|0,0,0]=1
15  B11R1.167  NC1=CC(C(O)=O)=C(O)C=C1 HMDB0014389 [0,1,0,0,0,0|0,0,0]=1
16  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [2,0,0,0,0,0|0,0,1]=3
17  B8R1.5  OC1=CNC=CC1=N HMDB0060741 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.13  OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|0,0,0]=2
19  B10R1.15  C=C(C=O)C1=CC=CC=C1 HMDB0060671 [1,1,0,0,0,0|1,0,0]=3
20  B10R1.15  NNC(=O)C1=CC=NC=C1 HMDB0015086 [1,1,0,0,0,0|2,0,0]=4
21  B10R1.4  C[N+]1=C(/C=N/O)C=CC=C1 HMDB0014871 [1,1,0,0,0,0|2,0,0]=4
22  B10R1.18  OC(=O)CC1=CC=CC=N1 HMDB0060722 [0,0,1,1,0,0|1,0,1]=4
23  B10R2.7  O1C=CC2=C1C=CC=C2 HMDB0032929 [1,0,0,1,0,0|1,0,0]=3
24  B12R2.24  O=C1OC2=CC=CC=C2C=C1 HMDB0001218 [0,0,0,1,0,1|2,0,0]=4
25  B8R1.7  OC(=O)C1=CNN=C1 HMDB0060760 [1,0,0,0,1,0|2,0,0]=4