0 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCCSS(=O)CCC HMDB0034394 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,1,1]=4 11 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,1,0]=4 13 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CCC(=O)SCC=C HMDB0037493 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.3 CCCCC(O)CC HMDB0031481 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.7 CCOC(=O)CCS HMDB0040410 [1,0,0,0,0,0|0,0,0]=1 26 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|0,0,0]=1 27 B7R0.7 CCOC(C)OCC HMDB0031644 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.5 CCCCCC(=O)/C=C\C HMDB0035916 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.5 CCCCOC(C)OCC HMDB0037635 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,1,0,0,0,0|0,0,0]=1 40 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,1,0,0,0,0|1,0,0]=2 43 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,1,0,0,0,0|1,0,0]=2 44 B9R0.34 CCOC(=O)CC(C)SC HMDB0038084 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.35 CCCC(O)C(=O)CCC HMDB0035457 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,1,0,0,0,0|1,0,2]=4 48 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.35 CCOC(=O)C(C)SSC HMDB0038896 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.2 COC1=CC(=O)OCC1 HMDB0033517 [0,0,0,1,0,0|0,1,2]=4 57 B9R1.48 O=C1CCCCC(=O)O1 HMDB0040732 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,0,0,1,0,0|1,0,0]=2 59 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|1,1,0]=4 60 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCCCCCS HMDB0039806 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|1,1,0]=4 66 B6R0.6 CCSSCSC HMDB0033047 [2,0,0,0,0,0|1,1,0]=4 67 B6R0.6 CSCCCCO HMDB0041562 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [2,0,0,0,0,0|0,0,2]=4 69 B6R0.1 CCC(=O)CSC HMDB0037193 [2,0,0,0,0,0|0,0,0]=2 70 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 71 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 72 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.1 CCOC(=O)C=C HMDB0033978 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 75 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|0,0,0]=2 77 B6R0.1 CSC/C(C)=C/C HMDB0032411 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.4 CCCOC(C)=O HMDB0034237 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.4 CCCSC(C)=O HMDB0033856 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,0,0]=2 83 B6R0.4 CSCCC(C)O HMDB0041476 [2,0,0,0,0,0|0,0,2]=4 84 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|0,0,0]=2 85 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.4 CCCC/C=C\CCO HMDB0035231 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.6 CCCCCC(S)SC HMDB0039783 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.8 CCCOC(=O)C(C)C HMDB0036209 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.9 CCC(=O)OCC(C)C HMDB0034239 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,1,0,0,0,0|1,0,0]=3 104 B8R0.9 CSC(=O)CCC(C)C HMDB0039468 [1,1,0,0,0,0|1,1,0]=4 105 B8R0.11 CCCC/C(=C\C)C=O HMDB0037152 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,0,0]=2 107 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,1,0,0,0,0|0,0,0]=2 108 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|0,0,1]=3 109 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|0,0,1]=3 110 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,1,0,0,0,0|0,0,0]=2 111 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [1,1,0,0,0,0|0,0,0]=2 112 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [1,1,0,0,0,0|0,0,0]=2 113 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,2,0,0,0,0|1,0,0]=3 114 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|2,0,0]=4 115 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,2,0,0,0,0|1,0,0]=3 116 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|1,0,0]=3 117 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|2,0,0]=4 118 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,2,0,0,0,0|1,0,0]=3 119 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|1,0,0]=3 120 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,2,0,0,0,0|1,0,0]=3 122 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|0,1,1]=4 123 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|2,0,0]=4 124 B10R0.24 CSCC/C=C(/CSC)C=O HMDB0037815 [0,2,0,0,0,0|2,0,0]=4 125 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|2,0,0]=4 126 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,2,0,0,0,0|1,0,1]=4 127 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|1,0,0]=3 128 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,2,0,0,0,0|1,0,0]=3 129 B10R0.91 CCCCCC(=O)SCCC HMDB0039466 [0,2,0,0,0,0|1,1,0]=4 130 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,2,0,0,0,0|1,0,0]=3 131 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,2,0,0,0,0|1,0,0]=3 132 B10R0.78 CCCOC(=O)CCC(C)=O HMDB0041616 [0,2,0,0,0,0|1,0,0]=3 133 B10R0.90 CCOC(CCSC)OCC HMDB0041608 [0,2,0,0,0,0|0,0,2]=4 134 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [1,0,0,1,0,0|1,1,0]=4 135 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|1,0,0]=3 138 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [1,0,0,1,0,0|1,0,1]=4 139 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.94 CCCC1CCC(=O)C1=O HMDB0039651 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.4 CCCC1CCCOC1=O HMDB0037630 [0,1,0,1,0,0|1,0,0]=3