0  B9R1.35  OC1CN=C(C1)C(O)=O HMDB0002234 [0,0,0,0,0,0|2,0,2]=4
1  B8R1.1  CC1=CC=C(S1)C=O HMDB0032431 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.7  OC(=O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|1,0,1]=3
3  B8R1.7  OC(=O)C1=CC=CO1 HMDB0000617 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.7  OC(=O)C1=COC=C1 HMDB0000444 [1,0,0,0,0,0|2,0,0]=3
5  B10R1.31  OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.59  CC(=O)C1=C(C)OC(C)=C1 HMDB0029563 [0,1,0,0,0,0|3,0,0]=4
7  B8R0.9  COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,1,0,0,0|3,0,0]=4
8  B8R0.23  C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,1,0,0,0|3,0,0]=4
9  B8R0.23  C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,1,0,0,0|3,0,0]=4
10  B8R0.23  CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,0,1,0,0,0|2,0,1]=4
11  B8R0.23  OC(=O)CC(=N)C(O)=O HMDB0001131 [0,0,1,0,0,0|2,0,1]=4
12  B10R1.13  CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,1|3,0,0]=4
13  B10R1.13  CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,0,1|2,0,0]=3
14  B10R1.13  NC(=O)C1=CNC(=O)C=N1 HMDB0001978 [0,0,0,0,0,1|3,0,0]=4
15  B10R1.13  NC1=CC=C(C=C1)C(O)=O HMDB0001392 [0,0,0,0,0,1|3,0,0]=4
16  B10R1.13  OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,1|3,0,0]=4
17  B10R1.13  OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,1|2,0,1]=4
18  B10R1.54  CN1C=NC(CC(O)=O)=C1 HMDB0002820 [0,0,0,0,0,1|2,0,0]=3
19  B10R1.113  OC(=O)C1=CC(Cl)=CC=C1 HMDB0001544 [0,0,0,0,0,1|3,0,0]=4
20  B7R0.4  C/C=C/C=C/C(O)=O HMDB0029581 [1,0,1,0,0,0|2,0,0]=4
21  B7R0.5  C/C=C\C(C)C(O)=O HMDB0031562 [1,0,1,0,0,0|1,0,1]=4
22  B7R0.5  CC/C=C(/C)C(O)=O HMDB0031560 [1,0,1,0,0,0|1,0,1]=4
23  B7R0.6  CC(C)/C=C\C(O)=O HMDB0031561 [1,0,1,0,0,0|1,0,1]=4
24  B7R0.6  OC(=O)/C=C/C(O)=O HMDB0000134 [1,0,1,0,0,0|2,0,0]=4
25  B7R0.6  OC(=O)/C=C\C(O)=O HMDB0000176 [1,0,1,0,0,0|2,0,0]=4
26  B7R1.1  O=CC1=CC=CS1 HMDB0029717 [2,0,0,0,0,0|2,0,0]=4
27  B7R1.2  CC1=CC(=O)CC1 HMDB0031546 [2,0,0,0,0,0|2,0,0]=4
28  B9R1.7  CN1C=NC(CC=O)=C1 HMDB0004181 [1,1,0,0,0,0|2,0,0]=4
29  B9R1.11  COC(=O)C1=CC=CO1 HMDB0029750 [1,1,0,0,0,0|2,0,0]=4
30  B9R1.11  COC(=O)C1=CC=CS1 HMDB0029719 [1,1,0,0,0,0|2,0,0]=4
31  B11R1.3  COC1=CC=C(C=C1)C(O)=O HMDB0001101 [0,1,0,0,0,1|2,0,0]=4
32  B11R1.21  CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [0,1,0,0,0,1|2,0,0]=4
33  B11R1.74  OC(=O)C1=CC(=O)NC(=O)N1 HMDB0000226 [0,1,0,0,0,1|1,0,1]=4
34  B11R1.266  COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,1,0,0,0,1|2,0,0]=4
35  B9R1.6  OC(=O)C1=CC=CC=N1 HMDB0002243 [0,0,1,1,0,0|1,0,1]=4
36  B9R1.2  CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,1|2,0,0]=4
37  B11R1.157  CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,0,0,0,0,2|2,0,0]=4