0 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.3 CCC(C)C(=O)/C=C\C HMDB0035242 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.3 CCCCC(C)CC HMDB0031583 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.3 CCCCC(O)CC HMDB0031481 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 CCCSC(S)CC HMDB0040056 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 CCSSC(C)SC HMDB0033046 [1,0,0,0,0,0|2,1,0]=4 10 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 CCCC(C)C(C)C HMDB0037617 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.7 CCOC(=O)CCS HMDB0040410 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.7 CCOC(C)OCC HMDB0031644 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.10 CCC(S)C(C)CO HMDB0034878 [1,0,0,0,0,0|1,1,1]=4 25 B9R0.8 C/C=C(/C)C(=O)OCC=C HMDB0037625 [0,1,0,0,0,0|0,0,3]=4 26 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [0,1,0,0,0,0|0,1,0]=2 27 B9R0.19 CCOC(=O)C(C)(O)CC HMDB0032269 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.23 C/C=C(/C)C(=O)OC(C)C HMDB0037624 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [0,1,0,0,0,0|0,0,0]=1 30 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,1,0,0,0,0|0,0,0]=1 32 B9R0.35 CCCC(O)C(=O)CCC HMDB0035457 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,1,0,0,0,0|0,0,1]=2 34 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,1,0,0,0,0|0,0,1]=2 35 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [0,1,0,0,0,0|0,0,2]=3 36 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,1,0,0,0,0|0,0,1]=2 37 B9R0.35 CCOC(=O)C(C)SSC HMDB0038896 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.37 CCOC(=O)C(CC)CC HMDB0040298 [0,1,0,0,0,0|0,0,0]=1 39 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.3 CC1CCCC(=O)C1=O HMDB0034080 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.202 COC1(C)SCCC1=O HMDB0040237 [0,0,0,1,0,0|3,0,0]=4 45 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,0,0,0,0,1|0,0,0]=1 46 B9R0.34 CCOC(=O)CC(C)SC HMDB0038084 [0,0,0,0,0,1|1,0,0]=2 47 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.1 CCC(=O)CSC HMDB0037193 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 CCC(C)CCO HMDB0033676 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 51 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 52 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.1 CCOC(=O)C=C HMDB0033978 [2,0,0,0,0,0|0,0,2]=4 54 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 55 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CCSSC(C)C HMDB0033054 [2,0,0,0,0,0|1,1,0]=4 58 B6R0.6 CC/C=C\CCO HMDB0030003 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 CCC/C=C/CO HMDB0030952 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.6 CCCCCCC HMDB0031447 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 CCCSCCC HMDB0031431 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 CCCSSCC HMDB0033053 [2,0,0,0,0,0|1,1,0]=4 63 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [2,0,0,0,0,0|0,0,2]=4 65 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [2,0,0,0,0,0|0,0,2]=4 66 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.3 CCC(=O)C(C)S HMDB0035171 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|0,0,0]=2 69 B6R0.3 CCC(C)C(O)S HMDB0032373 [2,0,0,0,0,0|0,1,1]=4 70 B6R0.3 CCC(O)C(C)=O HMDB0031516 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.3 CCC(S)C(C)=O HMDB0034896 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|0,0,0]=2 73 B6R0.3 COC(=O)C(C)=C HMDB0032385 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.3 COC(=O)C(C)C HMDB0031249 [2,0,0,0,0,0|0,0,0]=2 75 B6R0.3 CSC(C)C(C)=O HMDB0041558 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.3 OCC(O)C(O)=O HMDB0031818 [2,0,0,0,0,0|2,0,0]=4 77 B8R0.1 CCSSC(C)SCC HMDB0033055 [1,1,0,0,0,0|1,1,0]=4 78 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.11 CCCCC(CC)CO HMDB0031231 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.11 CCCCC(CC)CS HMDB0041477 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.11 CCSSC(CC)SC HMDB0039654 [1,1,0,0,0,0|1,1,0]=4 82 B8R0.23 CC(C)OC(=O)C(C)C HMDB0038227 [1,1,0,0,0,0|0,0,0]=2 83 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,1,0,0,0,0|0,0,0]=2 84 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|0,0,1]=3 85 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|0,0,1]=3 86 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,1,0,0,0,0|0,0,0]=2 87 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [1,1,0,0,0,0|0,0,0]=2 88 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [1,1,0,0,0,0|0,0,0]=2 90 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,1,0,0,0,1|1,0,1]=4 91 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,1,0,0,0,1|1,0,0]=3 92 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,1,0,0,0,1|1,0,0]=3 93 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,1,0,0,0,1|1,0,1]=4 94 B10R0.2 CCOC(=O)OC(=O)OCC HMDB0032873 [0,1,0,0,0,1|1,0,1]=4 95 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,1,0,0,0,1|1,0,1]=4 96 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,1,0,0,0,1|0,0,0]=2 97 B10R0.21 CCC(CC)C(=O)OCC=C HMDB0036208 [0,2,0,0,0,0|0,0,1]=3 98 B10R0.57 C/C=C(/C)C(=O)OCC(C)C HMDB0037629 [0,2,0,0,0,0|0,0,2]=4 99 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,2,0,0,0,0|0,0,0]=2 100 B10R0.33 CCCS(=O)C(CC)SSC HMDB0036374 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [1,0,0,1,0,0|0,0,2]=4 102 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.11 CCC1SCCC1=O HMDB0040238 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.34 CCC1CC(C)C(=O)C1=O HMDB0037167 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.4 CCCC1CCCOC1=O HMDB0037630 [0,1,0,1,0,0|0,0,0]=2 107 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.191 CC1C(C)C(=O)C(O)=C1C HMDB0039652 [0,1,0,1,0,0|1,0,1]=4