0 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|0,0,0]=1 10 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 CC(O)CCCCO HMDB0031490 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 CSSCCC(C)C HMDB0032408 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.7 CC(C)C(=O)NCC(O)=O HMDB0000730 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.47 NCCCCC(=O)C(O)=O HMDB0012151 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 CC(C)C1OCC(C)O1 HMDB0032204 [0,0,0,1,0,0|1,0,2]=4 34 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,0,0,0,0,1|1,0,0]=2 35 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,0]=2 36 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,0]=2 43 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,1]=3 54 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.3 CCC(=O)C(C)C HMDB0005846 [2,0,0,0,0,0|0,0,0]=2 59 B6R0.3 COC(=O)C(C)C HMDB0031249 [2,0,0,0,0,0|1,0,0]=3 60 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|0,0,1]=3 62 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|0,0,0]=2 63 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,2]=4 65 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|0,0,1]=3 67 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|1,0,0]=3 68 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,1,0,0,0,0|0,0,1]=3 71 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [1,1,0,0,0,0|0,0,2]=4 73 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,0]=2 74 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,2]=4 75 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|0,0,0]=2 76 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.11 CCCCC(CC)CO HMDB0031231 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|1,0,0]=3 83 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,1]=3 84 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,1,0,0,0,0|0,0,2]=4 86 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,1,0,0,0,0|0,0,1]=3 87 B8R0.2 CCC(C)C(C)C(C)C HMDB0030302 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,1,0,0,0,1|1,0,1]=4 90 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,1,0,0,0,1|0,0,0]=2 91 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,1,0,0,0,1|0,0,0]=2 92 B10R0.57 C/C=C(/C)C(=O)OCC(C)C HMDB0037629 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.82 CC(C)C(=O)CCC(C)C=C HMDB0032118 [0,2,0,0,0,0|0,0,0]=2 94 B10R0.82 CC(CCC(=O)C(C)=C)C=C HMDB0032120 [0,2,0,0,0,0|0,0,2]=4 95 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|0,0,0]=2 96 B10R0.98 CC(C)C(=O)OCC=C(C)C HMDB0032491 [0,2,0,0,0,0|0,0,2]=4 97 B10R0.98 CC(C)C(=O)SCC=C(C)C HMDB0031699 [0,2,0,0,0,0|0,0,2]=4 98 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|0,0,0]=2 100 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|0,0,0]=2 101 B8R1.5 NC1CCCNC1=O HMDB0000323 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.5 O=C1CCCCC1=O HMDB0031344 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,0,0,1,0,1|0,0,2]=4 107 B10R1.34 CCC1CC(=O)C(O)=C1C HMDB0039673 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.301 CC1CCCC(C)(C)C1=O HMDB0033794 [0,1,0,1,0,0|0,0,0]=2 109 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,1,0,1,0,0|0,0,1]=3 113 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.113 CC(C)=C1CCCC(C)=C1 HMDB0037046 [0,1,0,1,0,0|1,0,1]=4