0 B11R1.16 CCOC(=O)C1CCCCC1 HMDB0033167 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.15 CCC(=O)C1=CCCCN1 HMDB0034884 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.15 CCC(=O)C1CCCCN1 HMDB0033364 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 COC(=O)C1CCCCC1 HMDB0031343 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.17 CCCCC1CCCCC1 HMDB0041402 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.17 CCOC(=O)C1=CCCN(C)C1 HMDB0038321 [0,1,0,0,0,0|1,0,2]=4 6 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,0,1,0,0,0|3,0,0]=4 7 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [0,0,1,0,0,0|2,0,0]=3 8 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,0,1,0,0,0|0,0,0]=1 9 B10R0.1 CCCCCCC(C)CCC HMDB0037268 [0,0,1,0,0,0|2,0,1]=4 10 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,0,1,0,0,0|2,0,0]=3 11 B10R0.1 CCCCCOC(C)OCC HMDB0037634 [0,0,1,0,0,0|2,0,1]=4 12 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,0,1,0,0,0|0,0,2]=3 13 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [0,0,0,0,0,1|1,0,0]=2 14 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,0,1,0,0,0|0,0,2]=4 15 B9R0.5 CCCCCC(=O)/C=C\C HMDB0035916 [1,0,1,0,0,0|1,0,1]=4 16 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,0,1,0,0,0|1,0,0]=3 17 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [1,0,1,0,0,0|2,0,0]=4 18 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,0,1,0,0,0|0,0,0]=2 19 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [1,0,1,0,0,0|2,0,0]=4 20 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [1,0,1,0,0,0|0,0,2]=4 21 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [1,0,1,0,0,0|0,0,2]=4 22 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [1,0,1,0,0,0|1,0,0]=3 23 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,1,0,0,0|2,0,0]=4 25 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,1,0,0,0|2,0,0]=4 26 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,1,0,0,0|1,0,1]=4 27 B9R0.46 CCC(=O)CCCCC=C HMDB0034758 [1,0,1,0,0,0|0,0,2]=4 28 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [1,0,1,0,0,0|0,0,2]=4 29 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,0,1,0,0,0|0,0,0]=2 30 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,0,1,0,0,0|0,0,0]=2 31 B9R0.46 CCCCCCC(O)CC HMDB0031732 [1,0,1,0,0,0|0,0,2]=4 32 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [1,0,1,0,0,0|0,0,0]=2 34 B9R0.35 CCCC(O)C(=O)CCC HMDB0035457 [1,0,1,0,0,0|2,0,0]=4 35 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [1,0,1,0,0,0|0,0,2]=4 36 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [1,0,1,0,0,0|0,0,2]=4 37 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [1,0,1,0,0,0|0,0,2]=4 38 B9R0.35 CCOC(=O)C(C)SSC HMDB0038896 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.37 CCOC(=O)C(CC)CC HMDB0040298 [1,0,1,0,0,0|0,0,0]=2 40 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.6 CC(C)C1CCCCC1 HMDB0038191 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [2,0,0,0,0,0|0,0,0]=2 43 B9R1.8 CCCC1CCCCN1 HMDB0030285 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.8 O=COC1CCCCC1 HMDB0031351 [2,0,0,0,0,0|1,0,1]=4 45 B11R0.2 CCCCCOC(=O)CC(C)C HMDB0032045 [0,1,1,0,0,0|2,0,0]=4 46 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,1,1,0,0,0|0,0,1]=3 47 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,1,1,0,0,0|0,0,1]=3 48 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,1,1,0,0,0|0,0,1]=3 49 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,1,1,0,0,0|0,0,0]=2 50 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,1,1,0,0,0|1,0,1]=4 51 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,1,1,0,0,0|1,0,0]=3 52 B11R0.4 CCCCCCOC(C)OCC HMDB0037639 [0,1,1,0,0,0|1,0,1]=4 53 B11R0.62 CCOC(=O)CCC(=O)OCC HMDB0033838 [0,1,1,0,0,0|1,0,1]=4 54 B11R0.81 CCCCCCC(=O)OCC=C HMDB0040208 [0,1,1,0,0,0|0,0,1]=3 55 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,1,1,0,0,0|0,0,0]=2 56 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [0,1,1,0,0,0|1,0,1]=4 57 B11R0.11 CCCCC(C)C(=C)CCCC HMDB0032236 [0,1,1,0,0,0|2,0,0]=4 58 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,1,1,0,0,0|0,0,0]=2 59 B11R1.40 CCC(=O)OC1CCCCC1 HMDB0036222 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.44 C=CCOC(=O)CC1CCCCC1 HMDB0040595 [0,1,0,0,0,1|0,0,1]=3 61 B13R1.44 CCCCC(=O)OC1CCCCC1 HMDB0034429 [0,1,0,0,0,1|1,0,0]=3 62 B13R1.348 CC(C)CC(=O)OC1CCCCC1 HMDB0034428 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.230 CCCCC1OC(=O)CC1C HMDB0035307 [0,0,1,1,0,0|2,0,0]=4 64 B13R2.328 CC1CC(=O)CC2CCCCN12 HMDB0030371 [0,0,0,1,0,1|2,0,0]=4 65 B9R1.11 CCC(=O)C1=NCCC1 HMDB0034883 [1,0,0,0,1,0|1,0,1]=4 66 B13R1.42 CCOC(=O)CCC1CCCCC1 HMDB0031406 [0,0,0,0,0,2|0,0,0]=2