0 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|0,0,0]=1 8 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 CSSCCC(C)C HMDB0032408 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,0|0,0,0]=1 20 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,1,0,0,0,0|0,0,1]=2 23 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,1,0,0,0,0|0,0,2]=3 24 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,1,0,0,0,0|0,0,0]=1 25 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.35 CC(C)C1OCC(C)O1 HMDB0032204 [0,0,0,1,0,0|2,0,1]=4 27 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,0,0,0,1,0|0,0,0]=1 28 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,0,0,0,1,0|0,0,0]=1 29 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,0,0,0,1,0|1,0,0]=2 31 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,0,0,0,1,0|2,0,0]=3 32 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,0,0,0,1,0|2,0,0]=3 33 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,0,0,0,0,1|2,0,0]=3 34 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,0]=2 35 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 39 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.4 CC(C)COC=O HMDB0031247 [2,0,0,0,0,0|0,0,0]=2 44 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|0,1,1]=4 51 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,1,0,0,0,0|0,0,2]=4 52 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|0,0,0]=2 63 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [1,1,0,0,0,0|2,0,0]=4 75 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.2 CCC(C)C(C)C(C)C HMDB0030302 [0,1,0,0,1,0|1,0,1]=4 79 B8R0.16 OCC(CC)CC(C)C HMDB0013818 [0,1,0,0,1,0|0,0,2]=4 80 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,1,0,0,0,1|0,0,0]=2 81 B10R0.57 C/C=C(/C)C(=O)OCC(C)C HMDB0037629 [0,1,0,0,0,1|1,0,1]=4 82 B10R0.60 CCC(=O)OCC[N+](C)(C)C HMDB0013305 [0,1,0,0,0,1|1,0,0]=3 83 B10R0.98 CC(C)C(=O)OCC=C(C)C HMDB0032491 [0,1,0,0,0,1|0,0,1]=3 84 B10R0.98 CC(C)C(=O)SCC=C(C)C HMDB0031699 [0,1,0,0,0,1|0,1,1]=4 85 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,2,0,0,0,0|1,0,1]=4 86 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|0,0,0]=2 87 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.5 NC1CCCNC1=O HMDB0000323 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [0,0,0,1,0,1|2,0,0]=4 93 B10R1.119 O[C@@H]1COC(=O)[C@H](O)[C@H]1O HMDB0011676 [0,1,0,1,0,0|2,0,0]=4 94 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,0,0,1,0|0,0,2]=4 95 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,0,0,0,1,0|0,0,2]=4 96 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,0,0,0,1,0|1,0,1]=4 97 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,0,0,0,1,0|1,0,1]=4 98 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,0,0,0,1,0|0,0,2]=4 99 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,0,0,0,1,0|0,0,0]=2 100 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,1,0|1,0,0]=3 101 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,0,0,0,1,0|0,0,0]=2 102 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,1,0|2,0,0]=4 103 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,0,0,0,1,0|2,0,0]=4 104 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,0,0,0,1,0|1,0,0]=3 105 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,0,0,0,1,0|2,0,0]=4 106 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,0,0,0,1,0|2,0,0]=4 107 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,0,0,0,1,0|2,0,0]=4 108 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,2,0|1,0,1]=4 109 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,0,0,0,2,0|0,0,0]=2 110 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,0,0,0,2,0|1,0,0]=3