0 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.71 CCCCCCCCCC=O HMDB0011623 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,0,0,0,0,0|1,0,1]=2 7 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,0,0,0,0,0|0,0,2]=2 8 B10R0.71 CSCCCCCCN=C=S HMDB0031574 [0,0,0,0,0,0|2,1,1]=4 9 B10R0.71 NCCCCCNCCCN HMDB0012189 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.71 OCCC=CCCCCCC HMDB0013810 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,0,0,0,0,0|1,1,1]=3 13 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,0,0,0,0,0|0,0,3]=4 17 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,0,0,0,0,0|0,0,3]=4 18 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|0,0,3]=4 19 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,0,0,0,0|0,0,1]=2 22 B9R0.45 CCCCCCCCCO HMDB0031265 [1,0,0,0,0,0|0,0,1]=2 23 B9R0.45 CCCCSSCCCC HMDB0029569 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.45 CSCCCCCCC#N HMDB0031890 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.45 NCCCCNCCCN HMDB0001257 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.45 NCCCNCCCC=O HMDB0012135 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [0,1,0,0,0,0|0,0,1]=2 28 B11R0.3 CCCCCC/C=C/C=C/C=O HMDB0031359 [0,1,0,0,0,0|0,0,3]=4 29 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [0,1,0,0,0,0|0,0,2]=3 30 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [0,1,0,0,0,0|0,0,2]=3 31 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.3 CCCCCCCCCCCC HMDB0031444 [0,1,0,0,0,0|1,0,1]=3 33 B11R0.3 CCCCCCCCCCCO HMDB0013113 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [0,1,0,0,0,0|1,0,0]=2 35 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.81 CCCCCCC(=O)OCC=C HMDB0040208 [0,1,0,0,0,0|2,0,1]=4 37 B11R0.140 CCCCCC(=O)CCCCC HMDB0030943 [0,1,0,0,0,0|1,0,2]=4 38 B11R0.148 CC/C=C\CCCCOC(C)=O HMDB0029358 [0,1,0,0,0,0|1,0,2]=4 39 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,1,0,0,0,0|0,0,2]=3 40 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,1,0,0,0,0|0,0,2]=3 41 B11R0.148 CCCCC/C=C\COC(C)=O HMDB0031297 [0,1,0,0,0,0|1,0,2]=4 42 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,1,0,0,0,0|0,0,2]=3 43 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,1,0,0,0,0|0,0,2]=3 44 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,1,0,0,0,0|0,0,2]=3 45 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,1,0,0,0,0|0,0,0]=1 46 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,1,0,0,0,0|1,0,0]=2 47 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [0,1,0,0,0,0|0,0,2]=3 48 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,0,0,1,0,0|0,0,2]=3 49 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.4 CCCCCCCC=C HMDB0031270 [2,0,0,0,0,0|0,0,1]=3 52 B8R0.4 CCCCCCCC=O HMDB0001140 [2,0,0,0,0,0|0,0,0]=2 53 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|0,0,0]=2 54 B8R0.4 CCCCCCCCO HMDB0001183 [2,0,0,0,0,0|0,0,1]=3 55 B8R0.4 CCCCSCCCC HMDB0031660 [2,0,0,0,0,0|1,0,0]=3 56 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,1,0,0,0,0|0,0,2]=4 57 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,1,0,0,0,0|0,0,2]=4 58 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,1,0,0,0,0|0,0,0]=2 59 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,1,0,0,0,0|0,0,0]=2 60 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|1,0,0]=3 61 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [1,1,0,0,0,0|2,0,0]=4 62 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [1,1,0,0,0,0|2,0,0]=4 63 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,1,0,0,0,0|0,0,2]=4 64 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [1,1,0,0,0,0|0,0,1]=3 65 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [1,1,0,0,0,0|0,0,2]=4 67 B12R0.5 CCCCC/C=C\CC/C=C/C=O HMDB0032531 [0,2,0,0,0,0|0,0,2]=4 68 B12R0.5 CCCCCCC/C=C/C=C/C=O HMDB0039590 [0,2,0,0,0,0|0,0,2]=4 69 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [0,2,0,0,0,0|0,0,0]=2 70 B12R0.5 CCCCCCCCCCCC=C HMDB0030930 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [0,2,0,0,0,0|0,0,0]=2 72 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [0,2,0,0,0,0|0,0,2]=4 73 B12R0.206 CCCCCCCC(=O)OCC=C HMDB0040593 [0,2,0,0,0,0|1,0,1]=4 74 B12R0.234 CC(=O)NCCCCNCCCN HMDB0002189 [0,2,0,0,0,0|2,0,0]=4 75 B12R0.234 CC(=O)NCCCNCCCCN HMDB0001276 [0,2,0,0,0,0|2,0,0]=4 76 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,2,0,0,0,0|0,0,0]=2 77 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [0,2,0,0,0,0|1,0,1]=4 78 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,2,0,0,0,0|0,0,0]=2 79 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,2,0,0,0,0|0,0,0]=2 80 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,2,0,0,0,0|0,0,1]=3 81 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,2,0,0,0,0|0,0,2]=4 82 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,2,0,0,0,0|0,0,0]=2 83 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [0,2,0,0,0,0|0,0,0]=2 84 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,2,0,0,0,0|1,0,0]=3 85 B12R0.4 CCCCC/C=C\C(C)CC(O)=O HMDB0031063 [0,2,0,0,0,0|0,0,2]=4 86 B12R0.4 CCCCCC/C=C(/C)CC(O)=O HMDB0031062 [0,2,0,0,0,0|0,0,2]=4 87 B12R0.4 CCCCCCCC(=O)CC(O)=O HMDB0010724 [0,2,0,0,0,0|0,0,1]=3 88 B12R0.4 CCCCCCCC(=O)CC([O-])=O HMDB0039846 [0,2,0,0,0,0|0,0,1]=3 89 B12R0.4 CCCCCCCC(O)CC(O)=O HMDB0002203 [0,2,0,0,0,0|0,0,0]=2 90 B12R0.4 [C@@H](O)(CCCCCCC)CC(O)=O HMDB0010725 [0,2,0,0,0,0|0,0,0]=2 91 B12R0.57 CCCCCCCCC(OC)OC HMDB0034151 [0,2,0,0,0,0|2,0,0]=4 92 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [0,2,0,0,0,0|0,0,0]=2 93 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,2,0,0,0,0|0,0,1]=3 94 B12R0.111 CCCCCCC(CO)CCCC HMDB0041288 [0,2,0,0,0,0|1,0,1]=4 95 B12R0.255 CCCCCCC(=O)NCC(O)=O HMDB0013010 [0,2,0,0,0,0|1,0,1]=4 96 B12R0.233 CC(CCCC(C)=C)CCOC=O HMDB0037185 [0,2,0,0,0,0|1,0,1]=4 97 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [0,2,0,0,0,0|0,0,0]=2 98 B12R0.268 OC(=O)CCCCCCCC(O)=O HMDB0000784 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,1,0,1,0,0|0,0,1]=3 100 B12R1.1410 CCCCCC1OC1/C=C/C=O HMDB0013105 [0,1,0,1,0,0|0,0,2]=4 101 B12R1.567 CCCCCC1=C(C)CCC1=O HMDB0031565 [0,1,0,1,0,0|0,0,2]=4 102 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,1,0,1,0,0|1,0,0]=3 103 B12R1.255 NC(=O)CCCCC1CCSS1 HMDB0000962 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.255 OC(=O)CCCC[C@@H]1CCSS1 HMDB0001451 [0,1,0,1,0,0|2,0,0]=4