0 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,0|0,1,0]=1 6 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,0|0,0,2]=2 9 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CC(C)=CCOC=O HMDB0032490 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.1 CC(=C)CC/C=C(/C)C=C HMDB0036104 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.1 CC(CCC=C(C)C)C=O HMDB0031834 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.56 CC(=O)OCC[N+](C)(C)C HMDB0000895 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,0,0,1,0,0|1,0,2]=4 24 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,1,0|0,0,2]=3 25 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,1,0|3,0,0]=4 27 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,1,0|0,0,2]=3 28 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,1,0|1,0,2]=4 29 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,1,0|0,0,2]=3 30 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,1,0|1,0,2]=4 31 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,1,0|0,0,1]=2 32 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|0,0,2]=4 34 B6R0.4 CC(C)COC=O HMDB0031247 [2,0,0,0,0,0|0,0,1]=3 35 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|0,0,2]=4 39 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,1,0,0,0,0|0,0,2]=4 43 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,1,0|1,0,1]=4 48 B10R0.98 CC(C)=CC/C=C(\C)C(O)=O HMDB0035135 [0,1,0,0,0,1|2,0,0]=4 49 B10R0.98 CC(C)C(=O)OCC=C(C)C HMDB0032491 [0,1,0,0,0,1|1,0,1]=4 50 B10R0.3 CC(C)=CC/C=C(\C)CC=O HMDB0030893 [0,2,0,0,0,0|1,0,0]=3 51 B10R0.3 CC(C)=CCC/C(C)=C/C=C HMDB0035792 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.3 CC(C)=CCC/C(C)=C/C=O HMDB0035078 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.3 CC(C)=CCC/C(C)=C/C=O HMDB0035092 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.3 CC(C)=CCC/C(C)=C/CO HMDB0035155 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.3 CC(C)=CCC/C(C)=C\CS HMDB0036106 [0,2,0,0,0,0|1,1,0]=4 56 B10R0.3 CC(CCC=C(C)C)CC=O HMDB0035841 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|0,0,2]=4 58 B10R0.3 C[C@H](CCC=C(C)C)CC=O HMDB0035820 [0,2,0,0,0,0|1,0,1]=4 59 B10R0.3 C[C@H](CCC=C(C)C)CC=O HMDB0035842 [0,2,0,0,0,0|1,0,1]=4 60 B10R0.60 CCC(=O)OCC[N+](C)(C)C HMDB0013305 [0,2,0,0,0,0|1,0,1]=4 61 B10R0.84 CC(C)=CCC(CO)C(C)=C HMDB0036041 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,1,0|0,0,2]=4 63 B10R1.113 CC(C)=C1CCC=C(C)C1 HMDB0033200 [0,0,0,1,0,1|2,0,0]=4 64 B10R1.113 CC(C)=C1CCCC(C)=C1 HMDB0037046 [0,0,0,1,0,1|2,0,0]=4 65 B10R1.13 CC(=C)C1CCC(C)=CC1 HMDB0032473 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 HMDB0003375 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [0,1,0,1,0,0|2,0,0]=4 68 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,2,0|0,0,1]=3 69 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,2,0|0,0,1]=3 70 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,2,0|1,0,0]=3 71 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,2,0|2,0,0]=4 72 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,2,0|1,0,0]=3 73 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,2,0|0,0,0]=2 74 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,2,0|1,0,0]=3 75 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,2,0|0,0,1]=3 76 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,2,0|1,0,1]=4 77 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,2,0|0,0,1]=3 78 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,2,0|1,0,1]=4 79 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,2,0|2,0,0]=4 80 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,0,0,0,0,2|0,0,2]=4