0  B10R1.66  CC(=O)/C=C\C1=CC=CO1 HMDB0033128 [0,0,0,0,0,0|2,0,2]=4
1  B10R1.66  CC(=O)CCC1=CC=CO1 HMDB0032290 [0,0,0,0,0,0|2,0,1]=3
2  B10R1.66  CC(=O)OCC1=CC=CO1 HMDB0034246 [0,0,0,0,0,0|1,1,1]=3
3  B10R1.66  CC(=O)SCC1=CC=CO1 HMDB0035088 [0,0,0,0,0,0|1,0,1]=2
4  B10R1.66  CC(C)SCC1=CC=CO1 HMDB0036181 [0,0,0,0,0,0|0,0,0]=0
5  B10R1.66  CN(C)CCC1=CN=CN1 HMDB0033438 [0,0,0,0,0,0|4,0,0]=4
6  B9R1.12  CCCCC1=CC=CO1 HMDB0040272 [1,0,0,0,0,0|1,0,0]=2
7  B9R1.12  CCCCC1=CN=CO1 HMDB0038289 [1,0,0,0,0,0|2,0,0]=3
8  B9R1.12  CCCCC1=COC=N1 HMDB0038288 [1,0,0,0,0,0|3,0,0]=4
9  B9R1.12  CCOCC1=CC=CO1 HMDB0040445 [1,0,0,0,0,0|0,1,0]=2
10  B9R1.12  CCSCC1=CC=CO1 HMDB0039875 [1,0,0,0,0,0|0,0,0]=1
11  B9R1.12  CSSCC1=CC=CO1 HMDB0036807 [1,0,0,0,0,0|1,0,0]=2
12  B9R1.12  O=CSCC1=CC=CO1 HMDB0037731 [1,0,0,0,0,0|1,0,1]=3
13  B11R1.25  CCC(=O)OCC1=CC=CO1 HMDB0037728 [0,1,0,0,0,0|1,1,1]=4
14  B11R1.25  CCC(=O)SCC1=CC=CO1 HMDB0037732 [0,1,0,0,0,0|1,0,1]=3
15  B9R1.13  CC(=O)CC1=CC=CO1 HMDB0032917 [0,0,0,0,1,0|1,0,1]=3
16  B9R1.13  CC(C)CC1=NC=CS1 HMDB0031862 [0,0,0,0,1,0|1,1,0]=3
17  B11R1.91  CC(C)COC1=CN=CC=N1 HMDB0032381 [0,0,0,0,0,1|3,0,0]=4
18  B11R1.91  CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,0,0,0,1|3,0,0]=4
19  B8R1.8  CCCC1=CC=CO1 HMDB0040277 [2,0,0,0,0,0|0,0,0]=2
20  B8R1.8  CCCC1=CC=CS1 HMDB0033160 [2,0,0,0,0,0|0,1,0]=3
21  B8R1.8  COCC1=CC=CO1 HMDB0034247 [2,0,0,0,0,0|0,1,0]=3
22  B8R1.8  CSCC1=CC=CO1 HMDB0032916 [2,0,0,0,0,0|0,0,0]=2
23  B8R1.8  CSCC1=CSC=C1 HMDB0032429 [2,0,0,0,0,0|2,0,0]=4
24  B10R1.11  CCCC(=O)C1=CC=CO1 HMDB0039802 [1,1,0,0,0,0|1,0,1]=4
25  B10R1.21  CCC/C=C/C1=CC=CO1 HMDB0039782 [1,1,0,0,0,0|1,0,1]=4
26  B10R1.21  CCCCCC1=CC=CO1 HMDB0013824 [1,1,0,0,0,0|1,0,0]=3
27  B10R1.21  CCCCCC1=CC=CO1 HMDB0031084 [1,1,0,0,0,0|1,0,0]=3
28  B10R1.21  CCCCCC1=CC=CS1 HMDB0040240 [1,1,0,0,0,0|1,1,0]=4
29  B10R1.21  CCCCCC1=CN=CO1 HMDB0038792 [1,1,0,0,0,0|2,0,0]=4
30  B10R1.21  CCCCCC1=NC=CO1 HMDB0037818 [1,1,0,0,0,0|2,0,0]=4
31  B12R1.891  CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,1,0,0,0,1|2,0,0]=4
32  B10R1.61  CC(C)C1=CC=CC=C1O HMDB0032029 [0,0,1,1,0,0|1,0,1]=4
33  B8R1.7  CC(=O)C1=CC=CO1 HMDB0033127 [0,0,0,0,2,0|1,0,1]=4
34  B8R1.7  CC(C)C1=CC=CO1 HMDB0040278 [0,0,0,0,2,0|0,0,0]=2
35  B8R1.7  CC(S)C1=CC=CO1 HMDB0039586 [0,0,0,0,2,0|1,0,0]=3
36  B10R1.17  CCCCC1=CN=CC=C1 HMDB0032934 [1,0,0,0,0,1|2,0,0]=4
37  B10R1.17  CCOCC1=CC=CC=C1 HMDB0031312 [1,0,0,0,0,1|1,1,0]=4
38  B10R1.17  CSSCC1=CC=CC=C1 HMDB0040590 [1,0,0,0,0,1|2,0,0]=4