0  B8R1.18  CC1=CC(C)=C(C)O1 HMDB0029721 [0,0,0,0,0,0|1,0,2]=3
1  B8R1.18  CC1CC(S)C(C)O1 HMDB0032237 [0,0,0,0,0,0|2,0,1]=3
2  B8R1.18  CC1OC(C)=CC1=O HMDB0032233 [0,0,0,0,0,0|2,0,1]=3
3  B8R1.18  CC1OC(C)C(C)=N1 HMDB0031199 [0,0,0,0,0,0|0,0,0]=0
4  B7R1.2  CC1COC(C)O1 HMDB0032230 [1,0,0,0,0,0|1,0,1]=3
5  B7R1.2  CC1OC(=O)C=C1 HMDB0029609 [1,0,0,0,0,0|2,0,1]=4
6  B7R1.2  CC1SSC(C)S1 HMDB0031470 [1,0,0,0,0,0|2,1,0]=4
7  B9R1.36  CC1CC(C)(C)CC1=O HMDB0031197 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.37  CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.2  CCC(=O)CC(C)C HMDB0005841 [0,0,1,0,0,0|3,0,0]=4
10  B7R0.2  CCC(=O)OC(C)C HMDB0030056 [0,0,1,0,0,0|3,0,0]=4
11  B7R0.2  COC(=O)CC(C)O HMDB0041603 [0,0,1,0,0,0|3,0,0]=4
12  B7R0.5  CC/C=C(/C)C(O)=O HMDB0031560 [0,0,1,0,0,0|2,0,1]=4
13  B7R0.5  CCCC(C)C(O)=O HMDB0031580 [0,0,1,0,0,0|3,0,0]=4
14  B7R0.5  CCOC(=O)C(C)C HMDB0031248 [0,0,1,0,0,0|3,0,0]=4
15  B7R0.5  CCOC(=O)C(C)S HMDB0031521 [0,0,1,0,0,0|2,1,0]=4
16  B7R0.7  CCCC(C)CC=O HMDB0032405 [0,0,1,0,0,0|3,0,0]=4
17  B7R0.7  CCOC(=O)/C=C\C HMDB0039581 [0,0,1,0,0,0|2,0,1]=4
18  B7R0.7  CCOC(C)OCC HMDB0031644 [0,0,1,0,0,0|1,0,1]=3
19  B9R1.34  CC1OC(C)OC(C)O1 HMDB0032456 [0,0,0,0,0,1|1,0,1]=3
20  B9R1.34  CC1SC(C)SC(C)S1 HMDB0031671 [0,0,0,0,0,1|1,1,1]=4
21  B9R1.69  CC1=NC(C)=C(C)N=C1 HMDB0031844 [0,0,0,0,0,1|1,0,2]=4
22  B6R0.1  CCCC(=O)CC HMDB0000753 [1,0,1,0,0,0|2,0,0]=4
23  B6R0.1  CCCC(C)C=O HMDB0031578 [1,0,1,0,0,0|2,0,0]=4
24  B6R0.1  CCOC(=O)CC HMDB0030058 [1,0,1,0,0,0|2,0,0]=4
25  B6R0.1  CCOC(C)CC HMDB0031326 [1,0,1,0,0,0|0,0,1]=3
26  B6R0.2  CC(C)OC(C)=O HMDB0031241 [1,0,1,0,0,0|1,0,1]=4
27  B6R0.2  CC(C)SC(C)C HMDB0029579 [1,0,1,0,0,0|1,1,0]=4
28  B6R0.4  CCCCC(C)=O HMDB0005842 [1,0,1,0,0,0|2,0,0]=4
29  B6R0.4  CCOCC(O)=O HMDB0031212 [1,0,1,0,0,0|2,0,0]=4
30  B6R0.3  CCC(=O)C(C)C HMDB0005846 [1,0,1,0,0,0|2,0,0]=4
31  B6R0.3  CCC(C)C(O)=O HMDB0002176 [1,0,1,0,0,0|2,0,0]=4
32  B6R0.3  CCC(C)C(O)S HMDB0032373 [1,0,1,0,0,0|1,0,1]=4
33  B6R0.3  CC[C@H](C)C(O)=O HMDB0033742 [1,0,1,0,0,0|2,0,0]=4
34  B6R1.2  CC1=NCCS1 HMDB0029555 [2,0,0,0,0,0|2,0,0]=4
35  B6R1.2  CC1CCC=C1 HMDB0031544 [2,0,0,0,0,0|2,0,0]=4
36  B6R1.2  O=C1CCOC1 HMDB0002523 [2,0,0,0,0,0|2,0,0]=4
37  B8R0.5  CCCC(C)CC(C)O HMDB0031589 [0,1,1,0,0,0|1,0,1]=4
38  B8R0.3  CCCC(C)C(=O)OC HMDB0036237 [0,1,1,0,0,0|2,0,0]=4
39  B8R0.8  CC(O)C(=O)NCCO HMDB0032356 [0,1,1,0,0,0|1,0,1]=4
40  B8R1.4  CC1CCCC(O)C1 HMDB0031538 [0,0,1,1,0,0|1,0,1]=4
41  B8R1.5  CC1CCCCC1=O HMDB0031539 [0,0,1,1,0,0|2,0,0]=4
42  B8R1.7  CC(=O)C1=NCCC1 HMDB0031308 [0,0,1,1,0,0|0,0,2]=4