0 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 CCCC/C=C\CCO HMDB0035231 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.4 CCCCC/C=C\CO HMDB0031296 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.4 CCCCCCCC=C HMDB0031270 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.4 CCCCCCCCC HMDB0029595 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.4 CCCCCCCCO HMDB0001183 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.4 CCCCCCN=C=S HMDB0038432 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.4 CCCCCCOC=O HMDB0032874 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.4 CCCCSCCCC HMDB0031660 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.4 CCCCSSCCC HMDB0033051 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.4 CCCSSSCCC HMDB0032825 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CCCCCN=C=S HMDB0038433 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 CCCCCOC=O HMDB0040327 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|1,1,0]=3 22 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.1 CCCSS/C=C\C HMDB0041392 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CCCSSCC=C HMDB0033912 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.1 CCSCSSCC HMDB0033056 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.2 CCC/C=C/CCC(C)=O HMDB0034761 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|0,1,1]=3 38 B9R0.5 CCCCOC(C)OCC HMDB0037635 [0,1,0,0,0,0|1,1,0]=3 39 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,1,0,0,0,0|1,0,2]=4 47 B9R0.45 CCCCCCCCCC HMDB0031450 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.45 CCCCCCCCCO HMDB0031265 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.45 CCCCCCCOC=O HMDB0034459 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.45 CCCCSSCCCC HMDB0029569 [0,1,0,0,0,0|0,0,0]=1 51 B9R0.45 CSCCCCCCC#N HMDB0031890 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.45 SCCCCCCCCS HMDB0040348 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,1,0,0,0,0|1,0,2]=4 57 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.46 CCCCCOC(C)OC HMDB0038679 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.12 CCCCC1NCCS1 HMDB0040116 [0,0,0,1,0,0|3,0,0]=4 62 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 63 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.6 CCCCCCS HMDB0039806 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.6 CCCS/C=C/C HMDB0040244 [2,0,0,0,0,0|0,0,2]=4 68 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|0,0,0]=2 69 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.6 CCCSSSC HMDB0031871 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.6 CCSSCSC HMDB0033047 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.6 CCSSSCC HMDB0039524 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.6 CSCCCCO HMDB0041562 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.6 CSCSCSC HMDB0032547 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|0,1,1]=4 78 B8R0.1 CCCSS(=O)CCC HMDB0034394 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.1 CCSSC(C)SCC HMDB0033055 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.6 CCCCCC(=O)OC HMDB0035238 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.6 CCCCCC(=O)SC HMDB0039465 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|0,0,2]=4 84 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,1,0,0,0,0|0,0,0]=2 85 B8R0.6 CCCCCC(S)SC HMDB0039783 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|0,1,1]=4 87 B8R0.6 CCCCOC(C)OC HMDB0037636 [1,1,0,0,0,0|1,1,0]=4 88 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,1,0,0,0,0|0,0,2]=4 89 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|0,0,1]=3 91 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,0]=2 92 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|0,0,0]=2 93 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.7 CCCCCOC(C)=O HMDB0039095 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.7 CCCCSSC(C)C HMDB0033050 [1,1,0,0,0,0|1,0,0]=3 96 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|0,1,1]=4 99 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,2,0,0,0,0|1,0,0]=3 100 B10R0.4 CCCCCCCCC(C)C HMDB0039000 [0,2,0,0,0,0|1,0,0]=3 101 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|0,1,1]=4 104 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|1,0,0]=3 105 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|1,0,1]=4 106 B10R0.74 CCCCCCCC(C)CC HMDB0037267 [0,2,0,0,0,0|1,0,0]=3 107 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,2,0,0,0,0|1,0,1]=4 108 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|1,0,0]=3 109 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.97 CC(=O)CCSCCC(C)=O HMDB0037155 [0,2,0,0,0,0|0,0,2]=4 111 B10R0.97 CC(C)CC/N=C/CC(C)C HMDB0032350 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,2,0,0,0,0|0,1,1]=4 113 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|1,0,1]=4 114 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|1,0,1]=4 115 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [0,2,0,0,0,0|1,0,0]=3 116 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|0,1,1]=4 117 B10R0.1 CCCCCOC(C)OCC HMDB0037634 [0,2,0,0,0,0|1,1,0]=4 118 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,2,0,0,0,0|0,1,1]=4 119 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|0,1,1]=4 120 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|1,0,1]=4 121 B10R0.91 CCCCCC(=O)SCCC HMDB0039466 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,2,0,0,0,0|0,1,0]=3 123 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,2,0,0,0,0|1,0,1]=4 124 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,2,0,0,0,0|1,0,0]=3 125 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,2,0,0,0,0|1,0,0]=3 127 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,2,0,0,0,0|1,0,0]=3 129 B10R0.71 CCCCCCCCOC=O HMDB0038603 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.71 CSCCCCCCCC#N HMDB0038438 [0,2,0,0,0,0|1,0,1]=4 131 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,2,0,0,0,0|1,0,0]=3 132 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,2,0,0,0,0|1,0,0]=3 133 B10R0.41 CCCCCCC(OC)OC HMDB0040432 [0,2,0,0,0,0|2,0,0]=4 134 B10R0.41 CCCCSSC(CC)SC HMDB0033049 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.8 CCCC1NCCS1 HMDB0040058 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.11 CCC1SCCC1=O HMDB0040238 [1,0,0,1,0,0|1,0,1]=4 138 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [0,1,0,1,0,0|0,1,1]=4 139 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,1,0,1,0,0|1,0,0]=3 140 B10R1.16 CCCCC1OCC(C)O1 HMDB0032551 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.21 CCCCCC1NCCS1 HMDB0040057 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.4 CCCC1CCCOC1=O HMDB0037630 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.15 CCC(=O)C1CCCCN1 HMDB0033364 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.27 CCC(=O)CN1CCCC1 HMDB0039839 [0,1,0,1,0,0|1,0,1]=4