0 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [0,1,0,0,0,0|0,0,0]=1 3 B11R1.34 CCCC1CC(C)=CC(=O)C1 HMDB0031854 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,0,1,0,0,0|3,0,0]=4 5 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,0,1,0,0,0|0,0,2]=3 6 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,0,1,0,0,0|0,0,2]=3 7 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,0,1,0,0,0|0,0,2]=3 8 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,0,1,0,0,0|0,0,2]=3 9 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,0,1,0,0,0|1,0,0]=2 10 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,0,1,0,0,0|1,0,1]=3 11 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,0,1,0,0,0|0,0,0]=1 12 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,0,1,0,0,0|1,0,0]=2 13 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,0,1,0,0,0|2,0,0]=3 14 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,0,1,0,0,0|1,0,0]=2 16 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,0,1,0,0,0|2,0,0]=3 17 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,0,1,0,0,0|2,0,0]=3 18 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,0,1,0,0,0|2,0,1]=4 19 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,0,1,0,0,0|0,0,0]=1 20 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,0,1,0,0,0|3,0,0]=4 21 B11R2.678 O=C1CC2CCCC(C1)N2 HMDB0029613 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,0,0,1,0|1,0,0]=2 23 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [1,0,1,0,0,0|0,0,2]=4 24 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [1,0,1,0,0,0|0,0,2]=4 26 B8R0.4 CCCCCCCC=C HMDB0031270 [1,0,1,0,0,0|1,0,0]=3 27 B8R0.4 CCCCCCCC=O HMDB0001140 [1,0,1,0,0,0|0,0,0]=2 28 B8R0.4 CCCCCCCCC HMDB0029595 [1,0,1,0,0,0|1,0,1]=4 29 B8R0.4 CCCCCCCCO HMDB0001183 [1,0,1,0,0,0|0,0,1]=3 30 B8R0.4 CCCCSCCCC HMDB0031660 [1,0,1,0,0,0|0,1,1]=4 31 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,0,1,0,0,0|0,0,2]=4 32 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,0,1,0,0,0|0,0,2]=4 33 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,1,0,0,0|1,0,0]=3 34 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,1,0,0,0|0,0,0]=2 36 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [1,0,1,0,0,0|1,0,0]=3 37 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,0,1,0,0,0|1,0,0]=3 38 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,0,1,0,0,0|1,0,1]=4 39 B8R0.7 OCCCCCC(O)=O HMDB0012843 [1,0,1,0,0,0|1,0,0]=3 40 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,0,1,0,0,0|0,0,2]=4 41 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,0,1,0,0,0|1,0,0]=3 42 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,1,0,0,0|0,0,2]=4 43 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,1,0,0,0|1,0,0]=3 44 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,1,0,0,0|0,0,0]=2 45 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,0,1,0,0,0|1,0,1]=4 47 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,0,1,0,0,0|1,0,0]=3 48 B8R0.6 CCCCCC(O)CC HMDB0030070 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,0,1,0,0,0|0,0,0]=2 50 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,0,1,0,0,0|0,0,0]=2 51 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,0,1,0,0,0|1,0,0]=3 52 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [2,0,0,0,0,0|0,0,0]=2 54 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,1,1,0,0,0|0,0,1]=3 55 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,1,1,0,0,0|1,0,0]=3 56 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,1,1,0,0,0|0,0,0]=2 57 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,1,1,0,0,0|1,0,0]=3 58 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [0,1,1,0,0,0|1,0,0]=3 59 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [0,1,1,0,0,0|1,0,0]=3 60 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,1,1,0,0,0|1,0,1]=4 61 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,1,1,0,0,0|0,0,1]=3 62 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [0,1,1,0,0,0|0,0,2]=4 63 B10R0.6 CCCCCC(O)CC(O)=O HMDB0001954 [0,1,1,0,0,0|0,0,0]=2 64 B10R0.6 [C@@H](O)(CCCCC)CC(O)=O HMDB0010722 [0,1,1,0,0,0|0,0,0]=2 65 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,1,1,0,0,0|0,0,2]=4 66 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,1,1,0,0,0|0,0,2]=4 67 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,1,1,0,0,0|0,0,2]=4 68 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [0,1,1,0,0,0|0,0,2]=4 69 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,1,1,0,0,0|1,0,0]=3 70 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,1,1,0,0,0|0,0,0]=2 71 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,1,1,0,0,0|0,0,0]=2 72 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,1,1,0,0,0|1,0,1]=4 73 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,1,1,0,0,0|1,0,1]=4 74 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [0,1,1,0,0,0|0,0,1]=3 75 B10R0.75 CCCCCCC(N)C(O)=O HMDB0000991 [0,1,1,0,0,0|0,0,0]=2 76 B10R0.75 CCCCCCC(O)C(O)=O HMDB0000711 [0,1,1,0,0,0|0,0,0]=2 77 B10R0.75 CCCCCC[C@@H](O)C(O)=O HMDB0002264 [0,1,1,0,0,0|0,0,0]=2 78 B10R0.75 CNCCCC[C@H](N)C(O)=O HMDB0002038 [0,1,1,0,0,0|1,0,0]=3 79 B10R0.78 CCCCC(=O)NCC(O)=O HMDB0000927 [0,1,1,0,0,0|1,0,1]=4 80 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,1,1,0,0,0|0,0,0]=2 81 B10R0.97 CC(=O)NCCCCC(O)=O HMDB0012175 [0,1,1,0,0,0|1,0,1]=4 82 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,1,1,0,0,0|2,0,0]=4 83 B10R0.97 CC(O)CCCCCC(O)=O HMDB0000486 [0,1,1,0,0,0|0,0,0]=2 84 B10R0.97 OC(=O)CCCCCC(O)=O HMDB0000857 [0,1,1,0,0,0|1,0,1]=4 85 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,1,1,0,0,0|0,0,0]=2 86 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,1,1,0,0,0|2,0,0]=4 87 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,1,1,0,0,0|2,0,0]=4 88 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,1,1,0,0,0|0,0,0]=2 89 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,1,1,0,0,0|0,0,0]=2 90 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,1,1,0,0,0|2,0,0]=4 91 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,1,1,0,0,0|0,0,0]=2 92 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,1,1,0,0,0|1,0,0]=3 93 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,1,1,0,0,0|2,0,0]=4 94 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,1,1,0,0,0|0,0,0]=2 95 B10R0.87 CCCCC(CC)OC(C)=O HMDB0032309 [0,1,1,0,0,0|0,0,0]=2 96 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,1,0,0,1,0|1,0,1]=4 97 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,0,1,0,1,0|1,0,1]=4 98 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,0,1,0,1,0|1,0,0]=3 99 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,0,1,0,1,0|1,0,1]=4 100 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,0,1,0|0,0,0]=2