0 B11R0.40 CCCCC/C=C\CC(=O)OC HMDB0029859 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.40 CCCCCCC#CC(=O)OC HMDB0031273 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,0,0,0,0,0|0,0,2]=3 6 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,0,0,0,0,0|0,0,0]=1 7 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,0,0,0,0,0|0,0,0]=1 8 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.71 CCCCCCCCCC=C HMDB0029551 [1,0,0,0,0,0|1,0,2]=4 14 B10R0.71 CCCCCCCCCC=O HMDB0011623 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,0,0,0,0|1,0,1]=3 16 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [1,0,0,0,0,0|0,0,2]=3 18 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [1,0,0,0,0,0|0,0,2]=3 20 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [1,0,0,0,0,0|0,0,2]=3 21 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,0,0,0,0,0|0,0,0]=1 23 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,0,0,0,0,0|1,0,2]=4 25 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,1,0,0,0,0|0,0,2]=3 26 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,1,0,0,0,0|0,0,0]=1 27 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,1,0,0,0,0|2,0,0]=3 28 B12R0.57 CCCCCCCCC(OC)OC HMDB0034151 [0,1,0,0,0,0|0,0,2]=3 29 B12R0.248 CC/C=C\CCCCOC(=O)CC HMDB0038906 [0,1,0,0,0,0|1,0,2]=4 30 B12R0.248 CCCC/C=C\CCOC(=O)CC HMDB0032453 [0,1,0,0,0,0|1,0,2]=4 31 B12R0.248 CCCCC/C=C\C=C\C(=O)OC HMDB0034730 [0,1,0,0,0,0|0,0,3]=4 32 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,1,0,0,0,0|0,0,1]=2 33 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,1,0,0,0,0|0,0,0]=1 34 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,1,0,0,0,0|1,0,0]=2 35 B12R0.248 COC(=O)CC/C=C\CC/C=C\C HMDB0034708 [0,1,0,0,0,0|0,0,3]=4 36 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [2,0,0,0,0,0|0,0,2]=4 39 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [2,0,0,0,0,0|0,0,2]=4 40 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [2,0,0,0,0,0|0,0,2]=4 41 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [2,0,0,0,0,0|0,0,2]=4 42 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [2,0,0,0,0,0|0,0,0]=2 43 B9R0.2 CCCCCCCC(C)O HMDB0033916 [2,0,0,0,0,0|0,0,2]=4 44 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [2,0,0,0,0,0|0,0,0]=2 45 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [2,0,0,0,0,0|1,0,0]=3 46 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [2,0,0,0,0,0|0,0,2]=4 48 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [2,0,0,0,0,0|0,0,2]=4 49 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [2,0,0,0,0,0|0,0,2]=4 50 B9R0.45 CCCCCCCCCC HMDB0031450 [2,0,0,0,0,0|0,0,1]=3 51 B9R0.45 CCCCCCCCCO HMDB0031265 [2,0,0,0,0,0|0,0,1]=3 52 B9R0.45 NCCCNCCCC=O HMDB0012135 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [2,0,0,0,0,0|0,0,2]=4 54 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [2,0,0,0,0,0|1,0,0]=3 55 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [2,0,0,0,0,0|0,0,0]=2 56 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [2,0,0,0,0,0|2,0,0]=4 57 B11R0.2 CCCCCCC(O)CC(O)=O HMDB0031513 [1,1,0,0,0,0|0,0,0]=2 58 B11R0.30 CC(C)/C=C/CCCCC(O)=O HMDB0012183 [1,1,0,0,0,0|0,0,2]=4 59 B11R0.30 OC(=O)CCCCCCC(O)=O HMDB0000893 [1,1,0,0,0,0|1,0,1]=4 60 B11R0.46 CCCCCC(=O)NCC(O)=O HMDB0000701 [1,1,0,0,0,0|1,0,1]=4 61 B11R0.46 CCCCCC(C)CCC(O)=O HMDB0034849 [1,1,0,0,0,0|0,0,0]=2 62 B11R0.147 CCCCC(S)CCOC(C)=O HMDB0032372 [1,1,0,0,0,0|1,0,0]=3 63 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [1,1,0,0,0,0|0,0,2]=4 64 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [1,1,0,0,0,0|0,0,1]=3 65 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [1,1,0,0,0,0|0,0,1]=3 66 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [1,1,0,0,0,0|0,0,2]=4 67 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [1,1,0,0,0,0|0,0,1]=3 68 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [1,1,0,0,0,0|0,0,1]=3 69 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [1,1,0,0,0,0|0,0,2]=4 70 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [1,1,0,0,0,0|0,0,0]=2 71 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [1,1,0,0,0,0|0,0,0]=2 72 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [1,1,0,0,0,0|0,0,1]=3 73 B11R0.176 OC(=N)CCCCC(S)CCS HMDB0000985 [1,1,0,0,0,0|2,0,0]=4 74 B11R0.176 OC(=O)CCCCC(S)CCS HMDB0012210 [1,1,0,0,0,0|1,0,0]=3 75 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [1,1,0,0,0,0|1,0,0]=3 76 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [1,1,0,0,0,0|0,0,0]=2 77 B11R0.3 CCCCCCCCCCCC HMDB0031444 [1,1,0,0,0,0|1,0,1]=4 78 B11R0.3 CCCCCCCCCCCO HMDB0013113 [1,1,0,0,0,0|1,0,1]=4 79 B11R0.106 COC(=O)CCCCC(=O)OC HMDB0041606 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.124 CCCCCCCC(OC)OC HMDB0040267 [1,1,0,0,0,0|0,0,2]=4 81 B13R0.2 CCCCC/C=C/CCC(=O)OCC HMDB0039220 [0,2,0,0,0,0|0,0,1]=3 82 B13R0.2 CCCCCCC/C=C/C(=O)OCC HMDB0037329 [0,2,0,0,0,0|0,0,1]=3 83 B13R0.2 CCCCCCCCCC(=O)OCC HMDB0030998 [0,2,0,0,0,0|0,0,0]=2 84 B13R0.2 CCCCCCCCOC(=O)CCC HMDB0034136 [0,2,0,0,0,0|1,0,0]=3 85 B13R0.66 CCCCCCCCC(=O)OCC=C HMDB0029763 [0,2,0,0,0,0|0,0,0]=2 86 B13R0.335 CCCCCCCCC(=O)OC(C)C HMDB0034128 [0,2,0,0,0,0|0,0,0]=2 87 B13R0.412 CCCCCCCCCC(OC)OC HMDB0037310 [0,2,0,0,0,0|0,0,2]=4 88 B13R0.147 CCCCCCCCC#CC(=O)OC HMDB0030945 [0,2,0,0,0,0|0,0,0]=2 89 B13R0.147 COC(=O)CCCCCCC/C=C/C HMDB0037305 [0,2,0,0,0,0|0,0,0]=2 90 B13R0.147 COC(=O)CCCCCCCCC=C HMDB0029585 [0,2,0,0,0,0|0,0,0]=2 91 B13R0.150 CCCCCCCCOC(=O)C(C)C HMDB0034137 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [1,0,0,1,0,0|0,0,0]=2 93 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [1,0,0,1,0,0|0,0,0]=2 94 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [1,0,0,1,0,0|0,0,2]=4 95 B11R1.86 CN1CCCCC1CC(C)=O HMDB0030326 [1,0,0,1,0,0|1,0,0]=3 96 B13R1.42 CCOC(=O)CCC1CCCCC1 HMDB0031406 [0,1,0,1,0,0|0,0,0]=2 97 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,1,0,1,0,0|1,0,0]=3