0 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,0,0,0,0,0|0,0,0]=0 8 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [0,0,0,0,0,0|0,0,2]=2 10 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,0,0,0,0,0|1,0,0]=2 12 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,0,0,0,0,0|0,0,0]=1 13 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [1,0,0,0,0,0|0,0,3]=4 17 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,0,0,0,0,0|0,0,2]=3 18 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,0,0,0,0,0|0,0,3]=4 19 B10R0.71 CCCCCCCCCC=C HMDB0029551 [1,0,0,0,0,0|1,0,0]=2 20 B10R0.71 CCCCCCCCCC=O HMDB0011623 [1,0,0,0,0,0|0,0,0]=1 21 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,0,0,0,0|1,0,1]=3 22 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,0,0,0,0,0|0,0,1]=2 23 B10R0.71 OCCC=CCCCCCC HMDB0013810 [1,0,0,0,0,0|0,0,3]=4 24 B10R0.71 SCCCCCCCCCS HMDB0031710 [1,0,0,0,0,0|1,1,1]=4 25 B12R0.4 CCCCC/C=C\C(C)CC(O)=O HMDB0031063 [0,1,0,0,0,0|0,0,2]=3 26 B12R0.4 CCCCCC/C=C(/C)CC(O)=O HMDB0031062 [0,1,0,0,0,0|0,0,2]=3 27 B12R0.4 CCCCCCCC(=O)CC(O)=O HMDB0010724 [0,1,0,0,0,0|0,0,1]=2 28 B12R0.4 CCCCCCCC(=O)CC([O-])=O HMDB0039846 [0,1,0,0,0,0|0,0,2]=3 29 B12R0.4 CCCCCCCC(O)CC(O)=O HMDB0002203 [0,1,0,0,0,0|0,0,0]=1 30 B12R0.4 [C@@H](O)(CCCCCCC)CC(O)=O HMDB0010725 [0,1,0,0,0,0|0,0,0]=1 31 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [0,1,0,0,0,0|0,0,0]=1 32 B12R0.234 CC(=O)NCCCCNCCCN HMDB0002189 [0,1,0,0,0,0|3,0,0]=4 33 B12R0.234 CC(=O)NCCCNCCCCN HMDB0001276 [0,1,0,0,0,0|3,0,0]=4 34 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,1,0,0,0,0|1,0,0]=2 35 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [0,1,0,0,0,0|2,0,1]=4 36 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,1,0,0,0,0|0,0,0]=1 37 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,1,0,0,0,0|1,0,0]=2 38 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,1,0,0,0,0|0,0,1]=2 39 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,1,0,0,0,0|0,0,2]=3 40 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,1,0,0,0,0|0,0,0]=1 41 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [0,1,0,0,0,0|1,0,1]=3 42 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,1,0,0,0,0|2,0,0]=3 43 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,1,0,0,0,0|1,0,1]=3 44 B12R0.255 CCCCCCC(=O)NCC(O)=O HMDB0013010 [0,1,0,0,0,0|1,0,1]=3 45 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [0,1,0,0,0,0|0,0,0]=1 46 B12R0.268 OC(=O)CCCCCCCC(O)=O HMDB0000784 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.7 CCCCCCC1OCC(C)O1 HMDB0032302 [0,0,0,1,0,0|2,0,1]=4 48 B12R1.28 CCCCCC1CCOC(C)O1 HMDB0032155 [0,0,0,1,0,0|2,0,1]=4 49 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,0,0,1,0,0|2,0,0]=3 50 B12R1.255 NC(=O)CCCCC1CCSS1 HMDB0000962 [0,0,0,1,0,0|3,0,0]=4 51 B12R1.255 OC(=O)CCCC[C@@H]1CCSS1 HMDB0001451 [0,0,0,1,0,0|2,0,0]=3 52 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [2,0,0,0,0,0|0,0,2]=4 53 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [2,0,0,0,0,0|0,0,2]=4 54 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [2,0,0,0,0,0|0,0,2]=4 55 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [2,0,0,0,0,0|0,0,2]=4 56 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.2 CCCCCCCC(C)O HMDB0033916 [2,0,0,0,0,0|1,0,1]=4 58 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [2,0,0,0,0,0|0,0,0]=2 59 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [2,0,0,0,0,0|1,0,0]=3 60 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [2,0,0,0,0,0|2,0,0]=4 61 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [2,0,0,0,0,0|0,0,2]=4 62 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [2,0,0,0,0,0|0,0,2]=4 63 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [2,0,0,0,0,0|0,0,2]=4 64 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [2,0,0,0,0,0|0,0,2]=4 65 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [2,0,0,0,0,0|0,0,2]=4 66 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [2,0,0,0,0,0|0,0,2]=4 67 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [2,0,0,0,0,0|0,0,2]=4 68 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [2,0,0,0,0,0|0,0,2]=4 69 B9R0.45 CCCCCCCCCC HMDB0031450 [2,0,0,0,0,0|0,0,1]=3 70 B9R0.45 CCCCCCCCCO HMDB0031265 [2,0,0,0,0,0|0,0,0]=2 71 B9R0.45 NCCCNCCCC=O HMDB0012135 [2,0,0,0,0,0|2,0,0]=4 72 B11R0.2 CCCCCCC(O)CC(O)=O HMDB0031513 [1,1,0,0,0,0|0,0,0]=2 73 B11R0.30 CC(C)/C=C/CCCCC(O)=O HMDB0012183 [1,1,0,0,0,0|0,0,2]=4 74 B11R0.30 OC(=O)CCCCCCC(O)=O HMDB0000893 [1,1,0,0,0,0|1,0,1]=4 75 B11R0.40 CCCCC/C=C\CC(=O)OC HMDB0029859 [1,1,0,0,0,0|0,0,2]=4 76 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [1,1,0,0,0,0|0,0,2]=4 77 B11R0.40 CCCCCCC#CC(=O)OC HMDB0031273 [1,1,0,0,0,0|0,0,2]=4 78 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [1,1,0,0,0,0|0,0,0]=2 79 B11R0.46 CCCCCC(=O)NCC(O)=O HMDB0000701 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.46 CCCCCC(C)CCC(O)=O HMDB0034849 [1,1,0,0,0,0|0,0,0]=2 81 B11R0.147 CCCCC(S)CCOC(C)=O HMDB0032372 [1,1,0,0,0,0|2,0,0]=4 82 B11R0.176 OC(=N)CCCCC(S)CCS HMDB0000985 [1,1,0,0,0,0|2,0,0]=4 83 B11R0.176 OC(=O)CCCCC(S)CCS HMDB0012210 [1,1,0,0,0,0|1,0,0]=3 84 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [1,1,0,0,0,0|0,0,1]=3 85 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [1,1,0,0,0,0|0,0,1]=3 86 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [1,1,0,0,0,0|0,0,1]=3 87 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [1,1,0,0,0,0|0,0,0]=2 88 B11R0.3 CCCCCCCCCCCC HMDB0031444 [1,1,0,0,0,0|1,0,1]=4 89 B11R0.3 CCCCCCCCCCCO HMDB0013113 [1,1,0,0,0,0|0,0,1]=3 90 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [1,1,0,0,0,0|1,0,0]=3 91 B13R0.188 NCSCCC(S)CCCCC(N)=O HMDB0006239 [0,2,0,0,0,0|2,0,0]=4 92 B13R0.188 NCSCCC(S)CCCCC(O)=O HMDB0013639 [0,2,0,0,0,0|1,0,0]=3 93 B13R0.1 CCCCCCC(=O)CCOC(C)=O HMDB0037179 [0,2,0,0,0,0|1,0,1]=4 94 B13R0.1 CCCCCCC(O)CCOC(C)=O HMDB0032443 [0,2,0,0,0,0|1,0,0]=3 95 B13R0.1398 CC(C)CCCC(C)CCOC(C)=O HMDB0035410 [0,2,0,0,0,0|2,0,0]=4 96 B13R0.54 CCCCC/C=C\CCCOC(C)=O HMDB0032214 [0,2,0,0,0,0|1,0,1]=4 97 B13R0.54 CCCCCC/C=C\CCCC(O)=O HMDB0000529 [0,2,0,0,0,0|0,0,0]=2 98 B13R0.54 CCCCCCCCC/C=C/C(O)=O HMDB0010729 [0,2,0,0,0,0|0,0,0]=2 99 B13R0.54 CCCCCCCCCCCC(O)=O HMDB0000638 [0,2,0,0,0,0|0,0,0]=2 100 B13R0.54 CCCCCCCCCCOC(C)=O HMDB0040166 [0,2,0,0,0,0|1,0,0]=3 101 B13R0.54 OC(=O)CCCCCCCCCC=C HMDB0032248 [0,2,0,0,0,0|0,0,0]=2 102 B13R0.147 CCCCCCCCC#CC(=O)OC HMDB0030945 [0,2,0,0,0,0|0,0,1]=3 103 B13R0.147 COC(=O)CCCCCCC/C=C/C HMDB0037305 [0,2,0,0,0,0|0,0,1]=3 104 B13R0.147 COC(=O)CCCCCCCCC=C HMDB0029585 [0,2,0,0,0,0|0,0,1]=3 105 B13R0.150 CCCCCCCCOC(=O)C(C)C HMDB0034137 [0,2,0,0,0,0|2,0,0]=4 106 B13R0.154 CCCCCCCC(=O)NCC(O)=O HMDB0000832 [0,2,0,0,0,0|0,0,1]=3 107 B13R0.179 OC(=O)CCCCCCCCC(O)=O HMDB0000792 [0,2,0,0,0,0|0,0,1]=3 108 B13R0.202 OC(CCCCCCCC(O)=O)C=C HMDB0032662 [0,2,0,0,0,0|0,0,1]=3 109 B13R0.2 CCCCC/C=C/CCC(=O)OCC HMDB0039220 [0,2,0,0,0,0|0,0,2]=4 110 B13R0.2 CCCCCCC/C=C/C(=O)OCC HMDB0037329 [0,2,0,0,0,0|0,0,2]=4 111 B13R0.2 CCCCCCCCCC(=O)OCC HMDB0030998 [0,2,0,0,0,0|0,0,0]=2 112 B13R0.2 CCCCCCCCOC(=O)CCC HMDB0034136 [0,2,0,0,0,0|2,0,0]=4 113 B13R0.412 CCCCCCCCCC(OC)OC HMDB0037310 [0,2,0,0,0,0|0,0,2]=4 114 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [1,0,0,1,0,0|0,0,0]=2 115 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [1,0,0,1,0,0|0,0,0]=2 116 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [1,0,0,1,0,0|0,0,2]=4 117 B11R1.86 CN1CCCCC1CC(C)=O HMDB0030326 [1,0,0,1,0,0|2,0,0]=4 118 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [1,0,0,1,0,0|0,0,2]=4 119 B13R1.27 CCCCCCCC1OCC(C)O1 HMDB0032448 [0,1,0,1,0,0|1,0,1]=4 120 B13R1.1882 CCCCCCC1CC1CC(O)=O HMDB0031087 [0,1,0,1,0,0|0,0,0]=2 121 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.328 CC1CC(=O)CC2CCCCN12 HMDB0030371 [0,0,0,2,0,0|2,0,0]=4