0  B7R1.3  CC1=CC=CC=C1 HMDB0034168 [0,0,0,0,0,0|1,0,3]=4
1  B7R1.3  NC1=CC=CC=C1 HMDB0003012 [0,0,0,0,0,0|1,0,3]=4
2  B7R1.3  OC1=CC=CC=C1 HMDB0000228 [0,0,0,0,0,0|0,0,4]=4
3  B6R1.1  C1CCNCC1 HMDB0034301 [1,0,0,0,0,0|1,0,2]=4
4  B6R1.1  C1CSCSC1 HMDB0031473 [1,0,0,0,0,0|2,0,1]=4
5  B8R1.3  O=C1C=CC(=O)C=C1 HMDB0003364 [0,1,0,0,0,0|0,0,3]=4
6  B8R1.4  O=C1C=CNC(=O)N1 HMDB0000300 [0,1,0,0,0,0|2,0,1]=4
7  B8R1.4  O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.1  CCCC(=O)CC HMDB0000753 [0,0,1,0,0,0|0,0,2]=3
9  B6R0.1  CCCC(=O)CO HMDB0059678 [0,0,1,0,0,0|1,0,1]=3
10  B6R0.4  C=CCCC(=O)O HMDB0031602 [0,0,1,0,0,0|1,0,1]=3
11  B6R0.4  CCCCC(=O)O HMDB0000892 [0,0,1,0,0,0|1,0,1]=3
12  B6R0.4  CCCCC(C)=O HMDB0005842 [0,0,1,0,0,0|0,0,2]=3
13  B6R0.4  CSCCC(=O)O HMDB0001527 [0,0,1,0,0,0|2,0,1]=4
14  B6R0.4  NCCCC(=O)O HMDB0000112 [0,0,1,0,0,0|2,0,0]=3
15  B6R0.4  O=C(O)CCCO HMDB0000710 [0,0,1,0,0,0|2,0,0]=3
16  B6R0.4  O=CCCC(=O)O HMDB0001259 [0,0,1,0,0,0|2,0,1]=4
17  B6R0.6  C=CCSCC=C HMDB0036491 [0,0,1,0,0,0|2,0,0]=3
18  B6R0.6  CCCCCC=O HMDB0005994 [0,0,1,0,0,0|0,0,2]=3
19  B6R1.2  CC1=CC=CO1 HMDB0013749 [0,0,0,0,1,0|2,0,1]=4
20  B5R0.1  CCCC(=O)O HMDB0000039 [1,0,1,0,0,0|1,0,0]=3
21  B5R0.1  CCCC(C)=O HMDB0034235 [1,0,1,0,0,0|0,0,1]=3
22  B5R0.1  CCOC(C)=O HMDB0031217 [1,0,1,0,0,0|1,0,0]=3
23  B5R0.1  CNCC(=O)O HMDB0000271 [1,0,1,0,0,0|2,0,0]=4
24  B5R0.1  NCCC(=O)O HMDB0000056 [1,0,1,0,0,0|2,0,0]=4
25  B5R0.1  O=C(O)CCO HMDB0000700 [1,0,1,0,0,0|2,0,0]=4
26  B7R0.5  CCCC(=O)C(=O)O HMDB0001865 [0,1,1,0,0,0|1,0,0]=3
27  B7R0.7  CCCC(=O)CCC HMDB0004814 [0,1,1,0,0,0|0,0,2]=4
28  B7R0.4  CCCCCC(=O)O HMDB0000535 [0,1,1,0,0,0|1,0,1]=4
29  B7R0.4  CCCCCC(C)=O HMDB0003671 [0,1,1,0,0,0|0,0,2]=4
30  B7R0.4  NCCCCC(=O)O HMDB0003355 [0,1,1,0,0,0|1,0,1]=4
31  B7R0.4  NCCOCC(=O)O HMDB0060587 [0,1,1,0,0,0|2,0,0]=4
32  B7R0.6  CC(=O)CCC(C)C HMDB0031549 [0,1,1,0,0,0|0,0,2]=4
33  B7R0.6  CC(C)CCC(=O)O HMDB0000689 [0,1,1,0,0,0|1,0,1]=4
34  B7R1.1  O=CC1=CC=CO1 HMDB0032914 [0,1,0,0,1,0|1,0,1]=4
35  B7R1.2  CC1CCC(=O)O1 HMDB0033840 [0,1,0,0,1,0|1,0,0]=3
36  B7R1.4  NN1CCOC1=O HMDB0060739 [0,1,0,0,1,0|2,0,0]=4
37  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,1,0,0,1,0|2,0,0]=4
38  B9R1.69  CC1CNC(=O)NC1=O HMDB0000079 [0,2,0,0,0,0|2,0,0]=4
39  B9R1.66  C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,2,0,0,0,0|1,0,1]=4
40  B5R1.1  C1=COC=C1 HMDB0013785 [1,0,0,0,1,0|1,0,1]=4