0 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,0,0,0,0,0|0,0,1]=2 10 B9R0.2 CCCCCCCC(C)O HMDB0033916 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|0,0,2]=3 18 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [1,0,0,0,0,0|0,0,0]=1 19 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,0,0,0,0|0,0,3]=4 21 B11R0.2 CCCCCCC(O)CC(O)=O HMDB0031513 [0,1,0,0,0,0|1,0,2]=4 22 B11R0.30 OC(=O)CCCC/C=C/C(O)=O HMDB0000341 [0,1,0,0,0,0|2,0,1]=4 23 B11R0.40 CCCCC/C=C\CC(=O)OC HMDB0029859 [0,1,0,0,0,0|0,0,2]=3 24 B11R0.40 CCCCCC/C=C\C(=O)OC HMDB0040194 [0,1,0,0,0,0|0,0,0]=1 25 B11R0.40 CCCCCCC#CC(=O)OC HMDB0031273 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,1,0,0,0,0|0,0,2]=3 27 B11R0.46 CCCCCC(C)CCC(O)=O HMDB0034849 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.147 CCCCC(S)CCOC(C)=O HMDB0032372 [0,1,0,0,0,0|1,0,1]=3 29 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,1,0,0,0,0|1,0,2]=4 31 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [0,1,0,0,0,0|0,0,2]=3 32 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,1,0,0,0,0|1,0,0]=2 33 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,1,0,0,0,0|1,0,0]=2 34 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,1,0,0,0,0|1,0,2]=4 35 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [0,0,0,1,0,0|1,0,2]=4 37 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,0,0,1,0,0|1,0,2]=4 38 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [0,0,0,1,0,0|1,0,0]=2 39 B11R1.86 CN1CCCCC1CC(C)=O HMDB0030326 [0,0,0,1,0,0|1,0,2]=4 40 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.4 CC/C=C\CCCCO HMDB0031298 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [2,0,0,0,0,0|0,0,0]=2 44 B8R0.4 CCCCCCCC=C HMDB0031270 [2,0,0,0,0,0|0,0,1]=3 45 B8R0.4 CCCCCCCC=O HMDB0001140 [2,0,0,0,0,0|0,0,1]=3 46 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.7 CC(=O)NCCCCN HMDB0002064 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.7 CCCCCCC(C)=O HMDB0031294 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.7 CCCCCCC(C)C HMDB0031556 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.7 CCCCCCC(C)O HMDB0034261 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.7 CCCCCCC(O)=O HMDB0000666 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 CCCCOCC(O)=O HMDB0041844 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.7 CSCCCOC(C)=O HMDB0031717 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.7 OCCCCCC(O)=O HMDB0012843 [2,0,0,0,0,0|2,0,0]=4 59 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035093 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035094 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [1,1,0,0,0,0|0,0,1]=3 62 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.6 CCCCCC(O)CC(O)=O HMDB0001954 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.6 [C@@H](O)(CCCCC)CC(O)=O HMDB0010722 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [1,1,0,0,0,0|0,0,0]=2 67 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [1,1,0,0,0,0|0,0,0]=2 68 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [1,1,0,0,0,0|0,0,2]=4 69 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,1,0,0,0,0|0,0,1]=3 70 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,1,0,0,0,0|0,0,1]=3 71 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [1,1,0,0,0,0|1,0,0]=3 73 B10R0.75 CCCCCCC(N)C(O)=O HMDB0000991 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.75 CCCCCCC(O)C(O)=O HMDB0000711 [1,1,0,0,0,0|1,0,1]=4 75 B10R0.75 CCCCCC[C@@H](O)C(O)=O HMDB0002264 [1,1,0,0,0,0|1,0,1]=4 76 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [1,1,0,0,0,0|1,0,1]=4 77 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [1,1,0,0,0,0|1,0,0]=3 78 B10R0.97 CC(O)CCCCCC(O)=O HMDB0000486 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [1,1,0,0,0,0|0,0,1]=3 81 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,1,0,0,0,0|0,0,2]=4 82 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,1,0,0,0,0|0,0,1]=3 83 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,1,0,0,0,0|0,0,0]=2 84 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,1,0,0,0,0|0,0,1]=3 85 B10R0.71 CCCCCCCCCC=O HMDB0011623 [1,1,0,0,0,0|0,0,2]=4 86 B10R0.71 OCCC=CCCCCCC HMDB0013810 [1,1,0,0,0,0|0,0,1]=3 87 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [1,1,0,0,0,0|0,0,0]=2 88 B12R0.4 CCCCCC/C=C(/C)CC(O)=O HMDB0031062 [0,2,0,0,0,0|1,0,0]=3 89 B12R0.4 CCCCCCCC(=O)CC(O)=O HMDB0010724 [0,2,0,0,0,0|1,0,1]=4 90 B12R0.4 CCCCCCCC(=O)CC([O-])=O HMDB0039846 [0,2,0,0,0,0|1,0,1]=4 91 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,2,0,0,0,0|0,0,0]=2 92 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,2,0,0,0,0|0,0,2]=4 93 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,2,0,0,0,0|1,0,1]=4 94 B12R0.1 CCNC(=O)/C=C/CC/C=C\CC HMDB0032273 [0,2,0,0,0,0|0,0,2]=4 95 B12R0.248 CCCCC/C=C\C=C\C(=O)OC HMDB0034730 [0,2,0,0,0,0|0,0,1]=3 96 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,2,0,0,0,0|0,0,0]=2 97 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,2,0,0,0,0|0,0,2]=4 98 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,2,0,0,0,0|0,0,2]=4 99 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,2,0,0,0,0|0,0,1]=3 100 B12R0.255 CCCCCCC(=O)NCC(O)=O HMDB0013010 [0,2,0,0,0,0|1,0,1]=4 101 B12R0.234 CC(=O)NCCCCNCCCN HMDB0002189 [0,2,0,0,0,0|1,0,1]=4 102 B12R0.234 CC(=O)NCCCNCCCCN HMDB0001276 [0,2,0,0,0,0|1,0,1]=4 103 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,2,0,0,0,0|0,0,2]=4 104 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,2,0,0,0,0|0,0,2]=4 105 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [1,0,0,1,0,0|1,0,1]=4 107 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [1,0,0,1,0,0|1,0,0]=3 108 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.21 CCCCCC1=CC=CO1 HMDB0013824 [1,0,0,1,0,0|0,0,2]=4 111 B10R1.21 CCCCCC1=CC=CO1 HMDB0031084 [1,0,0,1,0,0|0,0,2]=4 112 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,1,0,1,0,0|0,0,2]=4 113 B12R1.28 CCCCCC1=CC=CC(=O)O1 HMDB0031085 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.2028 CC1CC(=O)C2=C1CCCN2 HMDB0039658 [0,0,0,2,0,0|1,0,1]=4