0  B12R1.77  COC(=O)C1=CC=CC=C1OC HMDB0032605 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.53  CCC1=NC=CN=C1C(C)=O HMDB0029410 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.53  CNC1=CC=CC=C1C(O)=O HMDB0032609 [1,0,0,0,0,0|1,0,0]=2
3  B11R1.53  COC1=CC=CC=C1C(C)=O HMDB0032569 [1,0,0,0,0,0|0,0,0]=1
4  B11R1.53  COC1=CC=CC=C1C(O)=O HMDB0032604 [1,0,0,0,0,0|0,0,0]=1
5  B11R1.53  NC(=O)C1=C(N=CC=C1)CC HMDB0013704 [1,0,0,0,0,0|3,0,0]=4
6  B11R1.53  OCC1=CC=CC=C1C(O)=O HMDB0032594 [1,0,0,0,0,0|2,0,0]=3
7  B11R1.222  COC(=O)C1=CC=CC=C1N HMDB0029703 [1,0,0,0,0,0|1,0,0]=2
8  B13R1.382  COC(=O)C1=CC=CC=C1NC=O HMDB0032398 [0,1,0,0,0,0|1,0,1]=3
9  B10R1.4  CCCC1=CC=CC=C1C HMDB0032627 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.4  CCCC1=CC=CC=C1O HMDB0032624 [2,0,0,0,0,0|1,0,1]=4
11  B10R1.20  COC1=CC=CC=C1OC HMDB0032139 [2,0,0,0,0,0|0,0,0]=2
12  B10R1.61  CC(=O)C1=CC=CC=C1N HMDB0032630 [2,0,0,0,0,0|1,0,0]=3
13  B10R1.61  CC(=O)C1=CC=CC=C1O HMDB0032568 [2,0,0,0,0,0|0,0,0]=2
14  B10R1.61  CC(=O)C1=NC=CN=C1C HMDB0030001 [2,0,0,0,0,0|2,0,0]=4
15  B10R1.61  CC(C)C1=CC=CC=C1O HMDB0032029 [2,0,0,0,0,0|1,0,1]=4
16  B10R1.61  OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [2,0,0,0,0,0|1,0,0]=3
17  B10R1.15  CCC(=O)C1=CC=CC=C1 HMDB0032623 [2,0,0,0,0,0|1,0,0]=3
18  B10R1.15  CNC(=O)C1=CN=CC=C1 HMDB0003152 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.15  COC(=O)C1=CN=CC=C1 HMDB0029806 [2,0,0,0,0,0|1,0,0]=3
20  B10R1.15  CSC(=O)C1=CC=CC=C1 HMDB0029694 [2,0,0,0,0,0|0,1,0]=3
21  B10R1.15  NCC(=O)C1=CC=CC=C1 HMDB0032628 [2,0,0,0,0,0|2,0,0]=4
22  B12R1.75  COC1=CC=CC=C1OC(C)=O HMDB0032030 [1,1,0,0,0,0|2,0,0]=4
23  B12R1.57  COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [1,1,0,0,0,0|1,0,1]=4
24  B12R1.308  CCOC(=O)C1=C(O)C=CC=C1 HMDB0029817 [1,1,0,0,0,0|0,0,0]=2
25  B12R1.308  NCCC(=O)C1=C(N)C=CC=C1 HMDB0012246 [1,1,0,0,0,0|2,0,0]=4
26  B14R1.744  COC(=O)C1=CC=CC=C1NC(C)=O HMDB0032388 [0,2,0,0,0,0|1,0,0]=3
27  B10R1.39  CCN1C=CC=C1C(C)=O HMDB0029759 [1,0,0,0,1,0|2,0,0]=4