0 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.45 CC/C=C\CC/C=C\CO HMDB0031262 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.45 CCCCCCCCCC HMDB0031450 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.45 CCCCCCCCCO HMDB0031265 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.4 CC/C=C/C/C=C\CO HMDB0040146 [1,0,0,0,0,0|0,0,2]=3 16 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.4 CCCCCCCC=C HMDB0031270 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.4 CCCCCCCC=O HMDB0001140 [1,0,0,0,0,0|0,0,2]=3 22 B8R0.4 CCCCCCCCC HMDB0029595 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.4 CCCCCCCCO HMDB0001183 [1,0,0,0,0,0|0,0,1]=2 24 B8R0.4 CCCCSCCCC HMDB0031660 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,1,0,0,0,0|0,0,1]=2 26 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,1,0,0,0,0|0,0,1]=2 30 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,1,0,0,0,0|0,0,3]=4 31 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [0,1,0,0,0,0|0,0,1]=2 32 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,1,0,0,0,0|1,0,0]=2 35 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,1,0,0,0,0|0,0,0]=1 37 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.71 CCCCCCCCCC=O HMDB0011623 [0,1,0,0,0,0|0,0,3]=4 39 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,1,0,0,0,0|0,0,2]=3 41 B10R0.71 OCCC=CCCCCCC HMDB0013810 [0,1,0,0,0,0|0,0,0]=1 42 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,1,0,0,0,0|0,1,2]=4 43 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,1,0,0,0,0|2,0,1]=4 44 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,1,0,0,0,0|2,0,1]=4 45 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,1,0,0,0,0|1,0,1]=3 46 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,1,0,0,0,0|1,0,1]=3 48 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,1,0,0,0,0|1,0,2]=4 49 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [0,1,0,0,0,0|0,0,2]=3 50 B10R1.21 CCCCCC1=CC=CO1 HMDB0013824 [0,0,0,1,0,0|0,0,2]=3 51 B10R1.21 CCCCCC1=CC=CO1 HMDB0031084 [0,0,0,1,0,0|0,0,2]=3 52 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [2,0,0,0,0,0|0,0,2]=4 53 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|0,0,2]=4 55 B7R0.1 CCCCCCC=C HMDB0032449 [2,0,0,0,0,0|0,0,0]=2 56 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|0,0,1]=3 57 B7R0.1 CCCCCCCC HMDB0001485 [2,0,0,0,0,0|0,0,1]=3 58 B7R0.1 CCCCCCCO HMDB0031479 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.1 CCCCCCCS HMDB0032304 [2,0,0,0,0,0|0,1,0]=3 60 B7R0.1 CCCCCCOC HMDB0032407 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.1 CCCCCSSC HMDB0031161 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 CCCCOCCO HMDB0031327 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.1 SCCCCCCS HMDB0031709 [2,0,0,0,0,0|1,1,0]=4 64 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,1,0,0,0,0|0,0,1]=3 68 B9R0.2 CCCCCCCC(C)O HMDB0033916 [1,1,0,0,0,0|0,0,1]=3 69 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [1,1,0,0,0,0|0,0,1]=3 70 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.5 CC/C=C\CC(O)CCO HMDB0030368 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [1,1,0,0,0,0|0,0,1]=3 75 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.5 CCCCCC(O)CCO HMDB0029359 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,1,0,0,0,0|0,0,1]=3 79 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [1,1,0,0,0,0|0,0,2]=4 81 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [1,1,0,0,0,0|0,0,2]=4 82 B9R0.46 CCCCCCC(O)CC HMDB0031732 [1,1,0,0,0,0|0,0,2]=4 83 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [1,1,0,0,0,0|1,0,1]=4 84 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,2,0,0,0,0|1,0,1]=4 85 B11R0.4 CCCCC/C=C/C(C)CCO HMDB0031065 [0,2,0,0,0,0|0,0,2]=4 86 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,2,0,0,0,0|1,0,1]=4 87 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,2,0,0,0,0|0,0,0]=2 88 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,2,0,0,0,0|1,0,1]=4 90 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,2,0,0,0,0|1,0,1]=4 91 B11R0.81 CCCCCCC(=O)OCC=C HMDB0040208 [0,2,0,0,0,0|2,0,0]=4 92 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,2,0,0,0,0|1,0,1]=4 93 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [0,2,0,0,0,0|0,0,1]=3 94 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,2,0,0,0,0|1,0,1]=4 95 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,2,0,0,0,0|0,0,2]=4 96 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,2,0,0,0,0|0,0,0]=2 97 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,2,0,0,0,0|0,0,1]=3 98 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,2,0,0,0,0|0,0,2]=4 100 B11R0.3 CCCCCC/C=C/C=C/C=O HMDB0031359 [0,2,0,0,0,0|0,0,2]=4 101 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [0,2,0,0,0,0|0,0,0]=2 102 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [0,2,0,0,0,0|0,0,2]=4 103 B11R0.3 CCCCCCCCCCCO HMDB0013113 [0,2,0,0,0,0|0,0,2]=4 104 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [0,2,0,0,0,0|0,0,2]=4 105 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.8 O=COC1CCCCC1 HMDB0031351 [1,0,0,1,0,0|1,0,1]=4 107 B11R1.4 CCCCCCC1=CC=CS1 HMDB0032329 [0,1,0,1,0,0|0,1,1]=4 108 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [0,1,0,1,0,0|0,0,1]=3