0 B8R0.7 CC(C)CCCN=C=S HMDB0038435 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.7 CCCCCOC(C)=O HMDB0039095 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.7 CCCCSSC(C)C HMDB0033050 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.7 NCCCCNC(O)=N HMDB0033458 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|0,0,0]=1 20 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|0,1,0]=2 21 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.1 CCCCCN=C=S HMDB0038433 [1,0,0,0,0,0|1,1,1]=4 23 B7R0.1 CCCCCOC=O HMDB0040327 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 CCSCSSCC HMDB0033056 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|1,1,0]=3 30 B7R0.4 CC(O)CCCCO HMDB0031490 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|0,1,0]=2 34 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.4 CSSCCC(C)C HMDB0032408 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.1 CCC(=O)OCCC(C)C HMDB0034164 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.2 CC(=O)CCCCCC=C HMDB0035926 [0,1,0,0,0,0|0,0,3]=4 43 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.2 CCC/C=C/CCC(C)=O HMDB0034761 [0,1,0,0,0,0|0,0,3]=4 45 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,1,0,0,0,0|1,0,2]=4 47 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [0,1,0,0,0,0|0,0,3]=4 48 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,1,0,0,0,0|1,0,2]=4 49 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|0,0,0]=1 51 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.46 CCCCC/C=C(/C)C=O HMDB0033554 [0,1,0,0,0,0|0,0,3]=4 55 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|0,0,2]=3 56 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|0,0,2]=3 57 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,0,0,0,0|0,0,1]=2 58 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,0,0,0,0|0,0,1]=2 59 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|0,0,0]=1 60 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|1,0,2]=4 61 B9R0.46 CCCCCOC(C)OC HMDB0038679 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.47 CCCCCC(=C)C(C)=O HMDB0037170 [0,1,0,0,0,0|0,0,3]=4 63 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,0,0,0,0|0,0,3]=4 64 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,1,0,0,0,0|1,0,1]=3 65 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,1,0,0,0,0|0,0,2]=3 66 B9R0.47 CCCCOC(=O)C(C)C HMDB0040251 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.47 CCCCOC(=O)C(C)O HMDB0040254 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,1,0,0,0,0|2,0,1]=4 70 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0000182 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.6 CC(C)C1CCCCC1 HMDB0038191 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,0,0,1,0,0|1,0,1]=3 76 B9R1.7 CCCC1CCC(=O)O1 HMDB0031681 [0,0,0,1,0,0|1,0,1]=3 77 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.13 CC(=O)CN1CCCC1 HMDB0040030 [0,0,0,1,0,0|1,0,2]=4 79 B9R1.13 CC(C)CC1NCCS1 HMDB0040117 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,0,0,1,0,0|2,0,1]=4 81 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|0,0,2]=4 82 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|0,0,2]=4 84 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 85 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|0,0,0]=2 87 B6R0.6 CCCCCCS HMDB0039806 [2,0,0,0,0,0|0,1,0]=3 88 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|1,1,0]=4 89 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.6 CSCCCCO HMDB0041562 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.4 CSCCC(C)O HMDB0041476 [2,0,0,0,0,0|1,0,0]=3 94 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.1 CCCSS(=O)CCC HMDB0034394 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,1,0,0,0,0|0,0,1]=3 100 B8R0.4 CCCC/C=C\CCO HMDB0035231 [1,1,0,0,0,0|0,0,1]=3 101 B8R0.4 CCCCC/C=C\CO HMDB0031296 [1,1,0,0,0,0|0,0,1]=3 102 B8R0.4 CCCCCCCC=C HMDB0031270 [1,1,0,0,0,0|0,0,1]=3 103 B8R0.4 CCCCCCCCC HMDB0029595 [1,1,0,0,0,0|0,0,0]=2 104 B8R0.4 CCCCCCCCO HMDB0001183 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.4 CCCCCCN=C=S HMDB0038432 [1,1,0,0,0,0|0,1,1]=4 106 B8R0.4 CCCCCCOC=O HMDB0032874 [1,1,0,0,0,0|0,0,2]=4 107 B8R0.4 CCCCSCCCC HMDB0031660 [1,1,0,0,0,0|0,0,0]=2 108 B8R0.4 CCCCSSCCC HMDB0033051 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.4 CCCSSSCCC HMDB0032825 [1,1,0,0,0,0|2,0,0]=4 110 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,1]=3 111 B8R0.6 CCCCCC(=O)OC HMDB0035238 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.6 CCCCCC(=O)SC HMDB0039465 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|0,0,2]=4 114 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,0]=2 115 B8R0.6 CCCCCC(S)SC HMDB0039783 [1,1,0,0,0,0|1,0,0]=3 116 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.6 CCCCOC(C)OC HMDB0037636 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.9 CC(O)COC(C)CO HMDB0032478 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,1,0,0,0,0|0,0,2]=4 125 B10R0.3 CC(C)CCCC(C)CC=O HMDB0032241 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|1,0,0]=3 127 B10R0.3 CC(CCO)CCCC(C)=C HMDB0037171 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.3 CCCC(S)CCOC(C)=O HMDB0038920 [0,2,0,0,0,0|0,0,2]=4 131 B10R0.59 CCC(C)CCCC(C)C=O HMDB0037806 [0,2,0,0,0,0|0,0,1]=3 132 B10R0.65 CCC(C)(O)CCCC(C)C HMDB0035246 [0,2,0,0,0,0|1,0,0]=3 133 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [0,2,0,0,0,0|0,0,2]=4 134 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,2,0,0,0,0|1,0,1]=4 135 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,2,0,0,0,0|0,0,2]=4 136 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [0,2,0,0,0,0|1,0,0]=3 137 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|1,0,1]=4 138 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|0,0,2]=4 139 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,2,0,0,0,0|0,0,2]=4 140 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,2,0,0,0,0|1,0,1]=4 141 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|1,0,1]=4 142 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|0,0,2]=4 143 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|0,0,2]=4 144 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,2,0,0,0,0|1,0,1]=4 145 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [0,2,0,0,0,0|1,0,0]=3 146 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|0,0,1]=3 147 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|0,0,0]=2 148 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,2,0,0,0,0|0,0,2]=4 149 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,2,0,0,0,0|1,0,1]=4 150 B10R0.97 CC(C)CC/N=C/CC(C)C HMDB0032350 [0,2,0,0,0,0|1,0,1]=4 151 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,2,0,0,0,0|0,0,2]=4 152 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|0,0,2]=4 153 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|0,0,2]=4 154 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [0,2,0,0,0,0|1,0,0]=3 155 B10R0.1 CCCCCOC(C)OCC HMDB0037634 [0,2,0,0,0,0|1,0,0]=3 156 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,2,0,0,0,0|0,0,0]=2 157 B10R0.86 CCCCCC(CC)C(O)=O HMDB0030331 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.86 CCCCCC(CO)C(C)=O HMDB0037164 [0,2,0,0,0,0|0,0,2]=4 159 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|0,0,2]=4 160 B8R1.8 CCCC1NCCS1 HMDB0040058 [1,0,0,1,0,0|1,1,0]=4 161 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [1,0,0,1,0,0|0,0,2]=4 162 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|0,0,2]=4 163 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|0,0,0]=2 164 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [1,0,0,1,0,0|0,1,0]=3 165 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,1,0,1,0,0|1,0,0]=3 166 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,1,0,1,0,0|1,0,0]=3 167 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [0,1,0,1,0,0|1,0,0]=3 168 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,1,0,1,0,0|0,1,0]=3 170 B10R1.16 CCCCC1CCC(=O)O1 HMDB0035422 [0,1,0,1,0,0|1,0,1]=4 171 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,1,0,0|0,0,0]=2 172 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|0,0,2]=4 173 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|0,0,2]=4 174 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,1,0,1,0,0|0,0,2]=4 175 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.2 OCC1NCCC(O)C1O HMDB0033453 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,1,0,1,0,0|0,0,2]=4 178 B10R2.71 OC1CC2CCC(C1)N2 HMDB0031667 [0,0,0,2,0,0|1,0,0]=3