0 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CC/C=C/C/C=C\CO HMDB0040146 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.4 CC/C=C/CCCC=O HMDB0039770 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.4 CCCC/C=C\CCO HMDB0035231 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.4 CCCCC/C=C\CO HMDB0031296 [0,0,0,0,0,0|0,0,2]=2 10 B8R0.4 CCCCCCCC=C HMDB0031270 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.4 CCCCCCCCC HMDB0029595 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.4 CCCCCCCCO HMDB0001183 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.4 CCCCCCN=C=S HMDB0038432 [0,0,0,0,0,0|1,1,1]=3 14 B8R0.4 CCCCCCOC=O HMDB0032874 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.4 CCCCSCCCC HMDB0031660 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.4 CCCCSSCCC HMDB0033051 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.4 CCCSSSCCC HMDB0032825 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.4 CSCCCCN=C=S HMDB0033764 [0,0,0,0,0,0|2,1,1]=4 19 B8R0.4 CSCCCCSC#N HMDB0038446 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|0,1,0]=2 25 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCCN=C=S HMDB0038433 [1,0,0,0,0,0|1,1,1]=4 27 B7R0.1 CCCCCOC=O HMDB0040327 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.1 CCSCSSCC HMDB0033056 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|1,1,0]=3 34 B9R0.2 CC(=O)CCCCCC=C HMDB0035926 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,1,0,0,0,0|0,0,3]=4 36 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,0,0,0,0|0,0,3]=4 37 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,0,0,0,0|0,0,3]=4 38 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,1,0,0,0,0|0,0,3]=4 39 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,0,0,0,0|0,0,2]=3 40 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|0,0,0]=1 41 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|0,0,1]=2 42 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.5 CC/C=C\CC(O)CCO HMDB0030368 [0,1,0,0,0,0|0,0,2]=3 44 B9R0.5 CCCCCC(=O)CC=C HMDB0035927 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|0,0,1]=2 47 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,1,0,0,0,0|0,0,0]=1 49 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.5 CCCCOC(C)OCC HMDB0037635 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.45 CC/C=C\C/C=C/CCO HMDB0038067 [0,1,0,0,0,0|0,0,3]=4 54 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [0,1,0,0,0,0|0,0,3]=4 55 B9R0.45 CC/C=C\CC/C=C\CO HMDB0031262 [0,1,0,0,0,0|0,0,3]=4 56 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [0,1,0,0,0,0|0,0,3]=4 57 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,1,0,0,0,0|0,0,1]=2 58 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [0,1,0,0,0,0|0,0,3]=4 59 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,1,0,0,0,0|0,0,3]=4 60 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [0,1,0,0,0,0|0,0,3]=4 61 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,1,0,0,0,0|0,0,1]=2 62 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,1,0,0,0,0|0,0,1]=2 63 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,1,0,0,0,0|0,0,1]=2 64 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [0,1,0,0,0,0|0,0,3]=4 65 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,1,0,0,0,0|0,0,1]=2 66 B9R0.45 CCCCCCCCCC HMDB0031450 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.45 CCCCCCCCCO HMDB0031265 [0,1,0,0,0,0|0,0,0]=1 68 B9R0.45 CCCCCCCOC=O HMDB0034459 [0,1,0,0,0,0|0,0,2]=3 69 B9R0.45 CCCCSSCCCC HMDB0029569 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.45 CSCCCCCCC#N HMDB0031890 [0,1,0,0,0,0|1,0,1]=3 71 B9R0.45 CSCCCCCN=C=S HMDB0031577 [0,1,0,0,0,0|1,1,1]=4 72 B9R0.45 NCCNCCNCCN HMDB0032466 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.45 SCCCCCCCCS HMDB0040348 [0,1,0,0,0,0|0,1,0]=2 74 B9R0.46 CCC(=O)CCCCC=C HMDB0034758 [0,1,0,0,0,0|1,0,2]=4 75 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|1,0,1]=3 76 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,0,0,0,0|0,0,2]=3 78 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,0,0,0,0|1,0,1]=3 79 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.46 CCCCCOC(C)OC HMDB0038679 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.8 O=COC1CCCCC1 HMDB0031351 [0,0,0,1,0,0|1,0,2]=4 84 B9R1.12 CCCCC1NCCS1 HMDB0040116 [0,0,0,1,0,0|1,1,0]=3 85 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|0,0,2]=4 86 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|0,0,2]=4 87 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|0,0,2]=4 88 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|0,0,0]=2 91 B6R0.6 CCCCCCS HMDB0039806 [2,0,0,0,0,0|0,1,0]=3 92 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|1,1,0]=4 93 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.6 CSCCCCO HMDB0041562 [2,0,0,0,0,0|1,0,0]=3 96 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.1 CCCSS(=O)CCC HMDB0034394 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,1]=3 101 B8R0.6 CCCCCC(=O)OC HMDB0035238 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.6 CCCCCC(=O)SC HMDB0039465 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.6 CCCCCC(S)SC HMDB0039783 [1,1,0,0,0,0|1,0,0]=3 106 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.6 CCCCOC(C)OC HMDB0037636 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|0,0,1]=3 111 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,0]=2 112 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|0,0,0]=2 113 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|0,0,1]=3 114 B8R0.7 CCCCCOC(C)=O HMDB0039095 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.7 CCCCSSC(C)C HMDB0033050 [1,1,0,0,0,0|2,0,0]=4 116 B10R0.3 CC(C)CCCC(C)CC=O HMDB0032241 [0,2,0,0,0,0|0,0,2]=4 117 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|0,0,0]=2 118 B10R0.3 CC(CCO)CCCC(C)=C HMDB0037171 [0,2,0,0,0,0|0,0,1]=3 119 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|0,0,0]=2 120 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035093 [0,2,0,0,0,0|0,0,2]=4 121 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035094 [0,2,0,0,0,0|0,0,2]=4 122 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,2,0,0,0,0|0,0,2]=4 123 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,2,0,0,0,0|0,0,1]=3 124 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [0,2,0,0,0,0|1,0,0]=3 125 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|0,0,0]=2 126 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|0,0,2]=4 127 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|0,0,1]=3 129 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,2,0,0,0,0|0,0,1]=3 130 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [0,2,0,0,0,0|1,0,0]=3 131 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|0,0,0]=2 132 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|0,0,0]=2 133 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,2,0,0,0,0|1,0,1]=4 134 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,2,0,0,0,0|0,0,1]=3 135 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|0,0,0]=2 136 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|1,0,1]=4 137 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [0,2,0,0,0,0|1,0,0]=3 138 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|1,0,1]=4 139 B10R0.1 CCCCCOC(C)OCC HMDB0037634 [0,2,0,0,0,0|2,0,0]=4 140 B10R0.91 CCCCCC(=O)CCC=O HMDB0034716 [0,2,0,0,0,0|0,0,2]=4 141 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|1,0,1]=4 142 B10R0.91 CCCCCC(=O)SCCC HMDB0039466 [0,2,0,0,0,0|1,0,1]=4 143 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,2,0,0,0,0|1,0,1]=4 144 B10R0.16 CCCCC(CC)CCC=O HMDB0032274 [0,2,0,0,0,0|0,0,2]=4 145 B10R0.71 C=CCCCCCCCC=O HMDB0034848 [0,2,0,0,0,0|0,0,2]=4 146 B10R0.71 CC/C=C/C/C=C\CCCO HMDB0041034 [0,2,0,0,0,0|0,0,2]=4 147 B10R0.71 CCCC#CC#CCCCO HMDB0038913 [0,2,0,0,0,0|0,0,2]=4 148 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [0,2,0,0,0,0|0,0,2]=4 149 B10R0.71 CCCCC/C=C\CCC=C HMDB0041218 [0,2,0,0,0,0|1,0,1]=4 150 B10R0.71 CCCCC/C=C\CCC=O HMDB0041014 [0,2,0,0,0,0|0,0,2]=4 151 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,2,0,0,0,0|0,0,0]=2 152 B10R0.71 CCCCCC/C=C/CC=C HMDB0032712 [0,2,0,0,0,0|1,0,1]=4 153 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,2,0,0,0,0|1,0,0]=3 154 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [0,2,0,0,0,0|0,0,2]=4 155 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,2,0,0,0,0|0,0,0]=2 156 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,2,0,0,0,0|1,0,0]=3 157 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,2,0,0,0,0|1,0,0]=3 158 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,2,0,0,0,0|0,0,0]=2 159 B10R0.71 CCCCCCCCOC=O HMDB0038603 [0,2,0,0,0,0|0,0,0]=2 160 B10R0.71 CSCCCCCCCC#N HMDB0038438 [0,2,0,0,0,0|1,0,0]=3 161 B10R0.71 CSCCCCCCN=C=S HMDB0031574 [0,2,0,0,0,0|0,1,1]=4 162 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,2,0,0,0,0|0,1,0]=3 164 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,2,0,0,0,0|2,0,0]=4 165 B10R0.59 CCC(C)CCCC(C)C=O HMDB0037806 [0,2,0,0,0,0|0,0,2]=4 166 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|0,0,2]=4 167 B8R1.8 CCCC1NCCS1 HMDB0040058 [1,0,0,1,0,0|1,1,0]=4 168 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [0,1,0,1,0,0|0,0,1]=3 169 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,1,0,1,0,0|1,1,0]=4 170 B10R1.16 CCCCC1CCC(=O)O1 HMDB0035422 [0,1,0,1,0,0|0,0,1]=3 171 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,1,0,0|1,0,0]=3 172 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|1,0,1]=4 173 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|1,0,1]=4 174 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,1,0,1,0,0|0,0,1]=3 175 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.21 CCCCCC1NCCS1 HMDB0040057 [0,1,0,1,0,0|0,1,0]=3 177 B10R1.4 CCCC1CCCOC1=O HMDB0037630 [0,1,0,1,0,0|0,0,2]=4 178 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [0,1,0,1,0,0|1,0,0]=3 179 B10R1.2 OCC1NCCC(O)C1O HMDB0033453 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.15 CCC(=O)C1CCCCN1 HMDB0033364 [0,1,0,1,0,0|1,0,1]=4