0 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 CCCCCCOC HMDB0032407 [1,0,0,0,0,0|0,0,3]=4 12 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|0,0,1]=2 15 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,0,0,0,0,0|0,0,3]=4 17 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,0,0,0,0|0,0,0]=1 20 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,1,0,0,0,0|0,0,2]=3 31 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,1,0,0,0,0|0,0,2]=3 33 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,1,0,0,0,0|0,0,2]=3 34 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [0,1,0,0,0,0|1,0,1]=3 36 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,1,0,0,0,0|0,0,0]=1 37 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|1,0,2]=4 38 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|0,0,2]=3 39 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.50 CCC/C=C/C(OC)OC HMDB0032225 [0,1,0,0,0,0|0,0,2]=3 42 B9R1.11 CCC(=O)C1=NCCS1 HMDB0032493 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.11 COC(=O)C1=CC=CO1 HMDB0029750 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.11 COC(=O)C1=CC=CS1 HMDB0029719 [0,0,0,1,0,0|1,0,2]=4 45 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.6 CC/C=C\CC=O HMDB0031498 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|0,0,1]=3 49 B6R0.6 CCC=CCC=O HMDB0031497 [2,0,0,0,0,0|0,0,2]=4 50 B6R0.6 CCCC=CC=O HMDB0031496 [2,0,0,0,0,0|0,0,0]=2 51 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 54 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 55 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [2,0,0,0,0,0|0,0,0]=2 58 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,1]=3 59 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,1]=3 60 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.4 CC/C=C\CCCCO HMDB0031298 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|0,0,1]=3 77 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,1,0,0,0,0|0,0,1]=3 83 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [1,1,0,0,0,0|0,0,1]=3 85 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,1,0,0,0,0|0,0,0]=2 93 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,1,0,0,0,0|0,0,2]=4 97 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,2,0,0,0,0|0,0,2]=4 100 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,2,0,0,0,0|0,0,2]=4 101 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|0,0,1]=3 102 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,2,0,0,0,0|0,0,2]=4 103 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|1,0,1]=4 104 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,2,0,0,0,0|0,0,2]=4 105 B10R0.91 C/C=C/C=C/C(=O)OCC=C HMDB0036227 [0,2,0,0,0,0|0,0,2]=4 106 B10R0.91 CCC/C=C/C(=O)OCC=C HMDB0038268 [0,2,0,0,0,0|0,0,0]=2 107 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,2,0,0,0,0|0,0,2]=4 108 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,2,0,0,0,0|0,0,2]=4 109 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,2,0,0,0,0|0,0,2]=4 110 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,2,0,0,0,0|0,0,0]=2 111 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,2,0,0,0,0|0,0,0]=2 112 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,2,0,0,0,0|0,0,0]=2 113 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [0,2,0,0,0,0|0,0,2]=4 114 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,2,0,0,0,0|0,0,2]=4 115 B10R0.74 COC(=O)CC/C=C/CC=C HMDB0040285 [0,2,0,0,0,0|0,0,2]=4 116 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|0,0,2]=4 119 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [1,0,0,1,0,0|1,0,1]=4 124 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [0,1,0,1,0,0|0,0,2]=4