0  B11R1.53  CCC1=NC=CN=C1C(C)=O HMDB0029410 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.53  CNC1=CC=CC=C1C(O)=O HMDB0032609 [0,0,0,0,0,0|4,0,0]=4
2  B11R1.53  COC1=CC=CC=C1C(C)=O HMDB0032569 [0,0,0,0,0,0|3,0,0]=3
3  B11R1.53  COC1=CC=CC=C1C(O)=O HMDB0032604 [0,0,0,0,0,0|4,0,0]=4
4  B11R1.53  NC(=O)C1=C(N=CC=C1)CC HMDB0013704 [0,0,0,0,0,0|2,0,0]=2
5  B11R1.53  OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,0,0,0,0,0|4,0,0]=4
6  B10R1.61  CC(=O)C1=CC=CC=C1N HMDB0032630 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.61  CC(=O)C1=CC=CC=C1O HMDB0032568 [1,0,0,0,0,0|3,0,0]=4
8  B10R1.61  CC(=O)C1=NC=CN=C1C HMDB0030001 [1,0,0,0,0,0|0,0,0]=1
9  B10R1.61  OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,0,0,0,0,0|3,0,0]=4
10  B12R1.46  COC1=C(N=C(C)C=N1)C(C)C HMDB0029742 [0,1,0,0,0,0|2,0,1]=4
11  B12R1.77  COC(=O)C1=CC=CC=C1OC HMDB0032605 [0,1,0,0,0,0|3,0,0]=4
12  B10R1.39  CCN1C=CC=C1C(C)=O HMDB0029759 [0,0,0,0,1,0|2,0,0]=3
13  B12R1.75  COC1=CC=CC=C1OC(C)=O HMDB0032030 [0,0,0,0,0,1|3,0,0]=4
14  B12R1.75  COC1=NC=CN=C1CC(C)C HMDB0031860 [0,0,0,0,0,1|2,0,1]=4
15  B9R0.45  CC/C=C\C=C/C=C\C=O HMDB0032441 [1,0,1,0,0,0|2,0,0]=4
16  B9R1.15  CC1=CC=CC=C1C=O HMDB0029636 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.15  COC1=C(C)N=CC=N1 HMDB0031852 [2,0,0,0,0,0|1,0,0]=3
18  B9R1.6  CC(=O)C1=CN=CC=N1 HMDB0031861 [2,0,0,0,0,0|0,0,0]=2
19  B9R1.6  NC(=O)C1=CC=CN=C1 HMDB0001406 [2,0,0,0,0,0|2,0,0]=4
20  B9R1.6  OC(=O)C1=CC=CC=N1 HMDB0002243 [2,0,0,0,0,0|2,0,0]=4
21  B9R1.6  OC(=O)C1=CN=CC=C1 HMDB0001488 [2,0,0,0,0,0|2,0,0]=4
22  B11R1.166  CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|2,0,0]=4