0 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,0,0,0,0,0|0,0,0]=0 7 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.4 CCOC(=O)CC/C=C/CC=C HMDB0031156 [0,0,0,0,0,0|0,0,4]=4 10 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,0,0,0,0,0|2,0,0]=3 12 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [1,0,0,0,0,0|0,0,0]=1 13 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [1,0,0,0,0,0|0,0,2]=3 15 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,0,0,0,0,0|2,0,0]=3 18 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.71 OCCC=CCCCCCC HMDB0013810 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [1,0,0,0,0,0|0,0,2]=3 22 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [1,0,0,0,0,0|0,0,2]=3 23 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [1,0,0,0,0,0|0,0,2]=3 25 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,0,0,0,0,0|0,0,0]=1 26 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,0,0,0,0,0|0,0,0]=1 27 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,0,0,0,0,0|0,0,2]=3 29 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,1,0,0,0,0|0,0,1]=2 30 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,1,0,0,0,0|0,0,0]=1 31 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,1,0,0,0,0|1,0,0]=2 32 B12R0.4 CCCCCCCC(=O)CC(O)=O HMDB0010724 [0,1,0,0,0,0|2,0,1]=4 33 B12R0.4 CCCCCCCC(=O)CC([O-])=O HMDB0039846 [0,1,0,0,0,0|2,0,1]=4 34 B12R0.4 CCCCCCOC(=O)CC(C)C HMDB0032044 [0,1,0,0,0,0|2,0,0]=3 35 B12R0.4 CCCCCCOC(=O)CC(C)S HMDB0032327 [0,1,0,0,0,0|2,0,0]=3 36 B12R0.49 CCCCCCOC(=O)C(C)CC HMDB0039215 [0,1,0,0,0,0|2,0,0]=3 37 B12R0.206 CCCCCCCC(=O)OCC=C HMDB0040593 [0,1,0,0,0,0|0,0,1]=2 38 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [0,1,0,0,0,0|0,0,0]=1 39 B12R0.239 CCOC(=O)CC(O)C/C=C\CC HMDB0030367 [0,1,0,0,0,0|0,0,2]=3 40 B12R0.285 CCCC(S)CCOC(=O)CCC HMDB0038948 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.28 CCCCCC1CCOC(C)O1 HMDB0032155 [0,0,0,1,0,0|2,0,1]=4 42 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [0,0,0,1,0,0|2,0,0]=3 43 B12R1.51 CCCC(=O)OCC1CCCO1 HMDB0036188 [0,0,0,1,0,0|3,0,0]=4 44 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,0,0,1,0,0|1,0,2]=4 45 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [2,0,0,0,0,0|0,0,2]=4 46 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [2,0,0,0,0,0|0,0,0]=2 49 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [2,0,0,0,0,0|0,0,2]=4 51 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [2,0,0,0,0,0|0,0,2]=4 52 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [2,0,0,0,0,0|1,0,0]=3 53 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [2,0,0,0,0,0|1,0,1]=4 56 B9R0.45 CCCCCCCCCC HMDB0031450 [2,0,0,0,0,0|0,0,1]=3 57 B9R0.45 CCCCCCCCCO HMDB0031265 [2,0,0,0,0,0|1,0,1]=4 58 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [2,0,0,0,0,0|0,0,2]=4 59 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [2,0,0,0,0,0|0,0,0]=2 60 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [2,0,0,0,0,0|0,0,0]=2 61 B9R0.46 CCCCCCC(O)CC HMDB0031732 [2,0,0,0,0,0|0,0,2]=4 62 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [2,0,0,0,0,0|1,0,0]=3 63 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [2,0,0,0,0,0|0,0,2]=4 65 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [2,0,0,0,0,0|0,0,2]=4 66 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [2,0,0,0,0,0|0,0,2]=4 67 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [2,0,0,0,0,0|0,0,2]=4 68 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [2,0,0,0,0,0|0,0,0]=2 69 B9R0.2 CCCCCCCC(C)O HMDB0033916 [2,0,0,0,0,0|0,0,2]=4 70 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [2,0,0,0,0,0|0,0,0]=2 71 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [2,0,0,0,0,0|1,0,0]=3 72 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [2,0,0,0,0,0|1,0,0]=3 73 B11R0.2 CCCCCOC(=O)CC(C)C HMDB0032045 [1,1,0,0,0,0|2,0,0]=4 74 B11R0.81 CCCCCCC(=O)OCC=C HMDB0040208 [1,1,0,0,0,0|0,0,1]=3 75 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [1,1,0,0,0,0|0,0,0]=2 76 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [1,1,0,0,0,0|1,0,1]=4 77 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [1,1,0,0,0,0|2,0,0]=4 78 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [1,1,0,0,0,0|2,0,0]=4 79 B11R0.3 CCCCCCCCCCCC HMDB0031444 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.3 CCCCCCCCCCCO HMDB0013113 [1,1,0,0,0,0|1,0,1]=4 81 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [1,1,0,0,0,0|1,0,1]=4 82 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [1,1,0,0,0,0|0,0,2]=4 83 B11R0.106 COC(=O)CCCCC(=O)OC HMDB0041606 [1,1,0,0,0,0|1,0,1]=4 84 B11R0.124 CCCCCCCC(OC)OC HMDB0040267 [1,1,0,0,0,0|0,0,2]=4 85 B13R0.2 CCCCC/C=C/CCC(=O)OCC HMDB0039220 [0,2,0,0,0,0|0,0,0]=2 86 B13R0.2 CCCCC/C=C\C=C\C(=O)OCC HMDB0036599 [0,2,0,0,0,0|0,0,2]=4 87 B13R0.2 CCCCCCC/C=C/C(=O)OCC HMDB0037329 [0,2,0,0,0,0|0,0,0]=2 88 B13R0.2 CCCCCCCCCC(=O)OCC HMDB0030998 [0,2,0,0,0,0|0,0,0]=2 89 B13R0.2 CCCCCCCCOC(=O)CCC HMDB0034136 [0,2,0,0,0,0|1,0,0]=3 90 B13R0.66 CCCCCCCCC(=O)OCC=C HMDB0029763 [0,2,0,0,0,0|0,0,1]=3 91 B13R0.175 CCCCC(=O)OCCC(S)CCC HMDB0038945 [0,2,0,0,0,0|2,0,0]=4 92 B13R0.335 CCCCCCCCC(=O)OC(C)C HMDB0034128 [0,2,0,0,0,0|0,0,0]=2 93 B13R0.23 CCCC(CCOC(=O)CCC)SC HMDB0038946 [0,2,0,0,0,0|2,0,0]=4 94 B13R0.154 CCCCCCCC(=O)NCC(O)=O HMDB0000832 [0,2,0,0,0,0|1,0,1]=4 95 B13R0.338 CCCCCCOC(=O)/C=C/CCC HMDB0038269 [0,2,0,0,0,0|2,0,0]=4 96 B13R0.338 CCCCCCOC(=O)CCCCC HMDB0033619 [0,2,0,0,0,0|2,0,0]=4 97 B13R0.1051 CCCCCC(CC)OC(=O)CCC HMDB0032310 [0,2,0,0,0,0|2,0,0]=4 98 B13R0.1051 CCCCCC(OC(=O)CCC)C=C HMDB0037498 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [1,0,0,1,0,0|2,0,0]=4 100 B11R1.25 CCC(=O)OCC1CCCO1 HMDB0031177 [1,0,0,1,0,0|2,0,0]=4 101 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [1,0,0,1,0,0|1,0,0]=3 102 B13R1.42 CCOC(=O)CCC1CCCCC1 HMDB0031406 [0,1,0,1,0,0|0,0,0]=2 103 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,1,0,1,0,0|1,0,0]=3 104 B13R1.27 CCCCCCCC1OCC(C)O1 HMDB0032448 [0,1,0,1,0,0|0,0,2]=4 105 B13R1.348 CC(C)CC(=O)OC1CCCCC1 HMDB0034428 [0,1,0,1,0,0|2,0,0]=4 106 B13R1.44 CCCCC(=O)OC1CCCCC1 HMDB0034429 [0,1,0,1,0,0|2,0,0]=4 107 B13R1.1133 CCCCCCC1=C(C)CCC1=O HMDB0031181 [0,1,0,1,0,0|1,0,1]=4 108 B13R2.328 CC1CC(=O)CC2CCCCN12 HMDB0030371 [0,0,0,2,0,0|2,0,0]=4