0 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|0,0,3]=4 13 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.1 CCCCCCCC HMDB0001485 [1,0,0,0,0,0|0,0,1]=2 15 B7R0.1 CCCCCCCO HMDB0031479 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.1 CCCCCCCS HMDB0032304 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.1 CCCCCSSC HMDB0031161 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.1 CCCCOCCO HMDB0031327 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 CCCCSSCC HMDB0032180 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 CCCSSCCC HMDB0031472 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 SCCCCCCS HMDB0031709 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CC(O)CCCCO HMDB0031490 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.4 CCCCCC(C)O HMDB0033908 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.4 CCCCCC(C)S HMDB0032303 [1,0,0,0,0,0|0,1,1]=3 37 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.4 CCCNCC(C)C HMDB0031244 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,1,0,0,0,0|0,0,2]=3 47 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|0,0,0]=1 48 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|0,0,0]=1 49 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|0,0,0]=1 50 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,1,0,0,0,0|0,0,2]=3 51 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,1,0,0,0,0|0,0,2]=3 53 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,1,0,0,0,0|0,0,2]=3 54 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,1,0,0,0,0|1,0,1]=3 57 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|0,0,0]=1 58 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,0,0,0,0|0,0,1]=2 62 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,1,0,0,0,0|0,0,3]=4 63 B9R0.47 NCCCCC(=O)C(O)=O HMDB0012151 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,0,0,1,0,0|0,0,2]=3 65 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.11 CCC(=O)C1=NCCS1 HMDB0032493 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,0,0,1,0,0|0,0,2]=3 68 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,0,0,1,0,0|1,0,1]=3 70 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 CC/C=C\CC=O HMDB0031498 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.6 CCC=CCC=O HMDB0031497 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.6 CCCC=CC=O HMDB0031496 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,0]=2 77 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.6 CCCCCCN HMDB0032323 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.6 CCCCCCO HMDB0012971 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.6 CCCCCSS HMDB0031160 [2,0,0,0,0,0|1,1,0]=4 81 B6R0.6 CCCCON=O HMDB0031329 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.6 CNCCCCN HMDB0003661 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.6 NCCCCC=O HMDB0012815 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.6 NCCCCCN HMDB0002322 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.6 O=CCCCC=O HMDB0029599 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|2,0,0]=4 101 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|0,0,2]=4 102 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,1,0,0,0,0|0,0,1]=3 104 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,1,0,0,0,0|0,0,1]=3 106 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,1,0,0,0,0|0,0,1]=3 107 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [1,1,0,0,0,0|0,0,2]=4 108 B8R0.4 CCCCCCCC=C HMDB0031270 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.4 CCCCCCCC=O HMDB0001140 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.4 CCCCCCCCC HMDB0029595 [1,1,0,0,0,0|0,0,1]=3 111 B8R0.4 CCCCCCCCO HMDB0001183 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.4 CCCCSCCCC HMDB0031660 [1,1,0,0,0,0|0,0,1]=3 113 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|0,0,1]=3 114 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|0,0,2]=4 115 B8R0.7 CCCCCCC(C)C HMDB0031556 [1,1,0,0,0,0|0,0,1]=3 116 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,1,0,0,0,0|0,0,1]=3 117 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|0,0,1]=3 118 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|0,0,1]=3 122 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|0,0,0]=2 123 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.11 CCCCC(CC)CO HMDB0031231 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,1,0,0,0,0|0,0,2]=4 130 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,1,0,0,0,0|0,0,2]=4 137 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,1,0,0,0,0|0,0,2]=4 138 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,1,0,0,0,0|1,0,0]=3 143 B10R0.3 CC(C)CCCC(C)CCO HMDB0035411 [0,2,0,0,0,0|1,0,1]=4 144 B10R0.3 CC(O)CCCC(O)CCO HMDB0033625 [0,2,0,0,0,0|0,0,2]=4 145 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,2,0,0,0,0|1,0,0]=3 146 B10R0.60 CCC(=O)OCC[N+](C)(C)C HMDB0013305 [0,2,0,0,0,0|2,0,0]=4 147 B10R0.65 CCC(C)(O)CCCC(C)C HMDB0035246 [0,2,0,0,0,0|0,0,2]=4 148 B10R0.82 CC(C)C(=O)CCC(C)C=C HMDB0032118 [0,2,0,0,0,0|0,0,2]=4 149 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,2,0,0,0,0|1,0,0]=3 150 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,2,0,0,0,0|0,0,0]=2 151 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|0,0,0]=2 152 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|0,0,0]=2 153 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,2,0,0,0,0|0,0,1]=3 154 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|0,0,1]=3 155 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,2,0,0,0,0|1,0,0]=3 156 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,2,0,0,0,0|0,0,0]=2 157 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|1,0,1]=4 158 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,2,0,0,0,0|0,0,0]=2 159 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,2,0,0,0,0|0,0,1]=3 160 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [0,2,0,0,0,0|0,0,1]=3 161 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,2,0,0,0,0|0,0,0]=2 162 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.24 CCCCCC(CC)OC=O HMDB0032454 [0,2,0,0,0,0|0,0,1]=3 164 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|1,0,0]=3 165 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,2,0,0,0,0|0,0,1]=3 166 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|0,0,0]=2 167 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,2,0,0,0,0|0,0,0]=2 168 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,2,0,0,0,0|1,0,0]=3 169 B10R0.46 OCC(=O)C[C@H](O)[C@H](O)CO HMDB0005876 [0,2,0,0,0,0|2,0,0]=4 170 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,2,0,0,0,0|1,0,0]=3 171 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,2,0,0,0,0|1,0,0]=3 172 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,2,0,0,0,0|1,0,0]=3 173 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [0,2,0,0,0,0|1,0,0]=3 174 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,2,0,0,0,0|0,0,0]=2 175 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|1,0,0]=3 176 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,2,0,0,0,0|2,0,0]=4 177 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,2,0,0,0,0|0,0,2]=4 178 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [0,2,0,0,0,0|1,0,1]=4 179 B10R0.86 CCCCCC(CC)C(O)=O HMDB0030331 [0,2,0,0,0,0|0,0,1]=3 180 B10R0.86 CCCCCC(CO)C(C)=O HMDB0037164 [0,2,0,0,0,0|1,0,1]=4 181 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|1,0,0]=3 182 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|0,0,0]=2 183 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|0,0,2]=4 185 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|0,0,2]=4 187 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [1,0,0,1,0,0|0,1,1]=4 188 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|2,0,0]=4 191 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,1,0,1,0,0|1,0,1]=4 192 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [0,1,0,1,0,0|1,0,1]=4 193 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,1,0,1,0,0|1,0,0]=3