0 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 O=COC1CCCCC1 HMDB0031351 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.20 OC1CCC(CC(O)=O)CC1 HMDB0000451 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.20 O[C@H]1CC[C@H](CC(O)=O)CC1 HMDB0000909 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.86 CN1CCCCC1CC(C)=O HMDB0030326 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.509 OS(=O)(=O)NC1CCCCC1 HMDB0031340 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,0,1,0,0,0|3,0,0]=4 11 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,0,1,0,0,0|0,0,2]=3 12 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,0,1,0,0,0|0,0,2]=3 13 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,0,1,0,0,0|0,0,2]=3 14 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,0,1,0,0,0|0,0,2]=3 15 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,0,1,0,0,0|1,0,0]=2 16 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,0,1,0,0,0|1,0,1]=3 17 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,0,1,0,0,0|0,0,0]=1 18 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,0,1,0,0,0|1,0,0]=2 19 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,0,1,0,0,0|2,0,0]=3 20 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [0,0,1,0,0,0|2,0,0]=3 21 B11R2.678 O=C1CC2CCCC(C1)N2 HMDB0029613 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.6 OC(=O)C1=NCCCC1 HMDB0001084 [0,0,0,0,1,0|1,0,1]=3 24 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [0,0,0,0,1,0|1,0,1]=3 25 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,0,0,0,1,0|0,0,0]=1 26 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,0,0,0,1,0|1,0,0]=2 27 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,0,0,0,1,0|1,0,0]=2 28 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,0,0,0,1,0|1,0,0]=2 29 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [1,0,1,0,0,0|0,0,2]=4 31 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [1,0,1,0,0,0|0,0,2]=4 32 B8R0.4 CCCCCCCC=C HMDB0031270 [1,0,1,0,0,0|1,0,0]=3 33 B8R0.4 CCCCCCCC=O HMDB0001140 [1,0,1,0,0,0|0,0,0]=2 34 B8R0.4 CCCCCCCCC HMDB0029595 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.4 CCCCCCCCO HMDB0001183 [1,0,1,0,0,0|0,0,1]=3 36 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,0,1,0,0,0|0,0,2]=4 37 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,0,1,0,0,0|0,0,2]=4 38 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,1,0,0,0|1,0,0]=3 39 B8R0.7 CCCCCCC(C)O HMDB0034261 [1,0,1,0,0,0|1,0,1]=4 40 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,1,0,0,0|0,0,0]=2 41 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [1,0,1,0,0,0|1,0,0]=3 42 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,0,1,0,0,0|1,0,0]=3 43 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,0,1,0,0,0|1,0,1]=4 44 B8R0.7 OCCCCCC(O)=O HMDB0012843 [1,0,1,0,0,0|1,0,0]=3 45 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [1,0,1,0,0,0|1,0,1]=4 46 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,0,1,0,0,0|1,0,1]=4 47 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,0,1,0,0,0|1,0,0]=3 49 B8R1.2 O=CN1CCCCC1 HMDB0031702 [2,0,0,0,0,0|1,0,0]=3 50 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [0,1,1,0,0,0|0,0,1]=3 51 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [0,1,1,0,0,0|1,0,0]=3 52 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [0,1,1,0,0,0|0,0,0]=2 53 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,1,1,0,0,0|1,0,0]=3 54 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [0,1,1,0,0,0|1,0,0]=3 55 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [0,1,1,0,0,0|1,0,0]=3 56 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,1,1,0,0,0|1,0,1]=4 57 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,1,1,0,0,0|0,0,1]=3 58 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [0,1,1,0,0,0|0,0,2]=4 59 B10R0.6 CCCCCC(O)CC(O)=O HMDB0001954 [0,1,1,0,0,0|0,0,0]=2 60 B10R0.6 [C@@H](O)(CCCCC)CC(O)=O HMDB0010722 [0,1,1,0,0,0|0,0,0]=2 61 B10R0.74 CCC/C=C/CCC(=O)OC HMDB0039794 [0,1,1,0,0,0|0,0,2]=4 62 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [0,1,1,0,0,0|0,0,2]=4 63 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [0,1,1,0,0,0|0,0,2]=4 64 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [0,1,1,0,0,0|0,0,2]=4 65 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [0,1,1,0,0,0|1,0,0]=3 66 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [0,1,1,0,0,0|0,0,0]=2 67 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [0,1,1,0,0,0|0,0,0]=2 68 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [0,1,1,0,0,0|1,0,1]=4 69 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [0,1,1,0,0,0|1,0,1]=4 70 B10R0.75 CCCCCCC(=O)C(O)=O HMDB0013211 [0,1,1,0,0,0|0,0,1]=3 71 B10R0.75 CCCCCCC(N)C(O)=O HMDB0000991 [0,1,1,0,0,0|0,0,0]=2 72 B10R0.75 CCCCCCC(O)C(O)=O HMDB0000711 [0,1,1,0,0,0|0,0,0]=2 73 B10R0.75 CCCCCC[C@@H](O)C(O)=O HMDB0002264 [0,1,1,0,0,0|0,0,0]=2 74 B10R0.75 CNCCCC[C@H](N)C(O)=O HMDB0002038 [0,1,1,0,0,0|1,0,0]=3 75 B10R0.78 CCCCC(=O)NCC(O)=O HMDB0000927 [0,1,1,0,0,0|1,0,1]=4 76 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [0,1,1,0,0,0|0,0,0]=2 77 B10R0.97 CC(=O)NCCCCC(O)=O HMDB0012175 [0,1,1,0,0,0|1,0,1]=4 78 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,1,1,0,0,0|2,0,0]=4 79 B10R0.97 CC(O)CCCCCC(O)=O HMDB0000486 [0,1,1,0,0,0|0,0,0]=2 80 B10R0.97 OC(=O)CCCCCC(O)=O HMDB0000857 [0,1,1,0,0,0|1,0,1]=4 81 B10R0.87 CCCCC(CC)OC(C)=O HMDB0032309 [0,1,1,0,0,0|2,0,0]=4 82 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,1,1,0,0,0|1,0,1]=4 83 B10R0.79 OCCN(CCO)CC(O)=O HMDB0011727 [0,1,1,0,0,0|2,0,0]=4 84 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,1,0,0,1,0|0,0,0]=2 85 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,1,0,0,1,0|1,0,0]=3 86 B10R1.54 OC(=O)CC1CCC(=O)O1 HMDB0029171 [0,1,0,0,1,0|1,0,1]=4 87 B12R1.32 CCCC(=O)OC1CCCCC1 HMDB0034427 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,0,1,0,1,0|1,0,1]=4 89 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,0,1,0,1,0|0,0,0]=2 90 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,0,1,0,1,0|1,0,0]=3 91 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,0,1,0,1,0|1,0,0]=3 92 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,0,1,0,1,0|2,0,0]=4 93 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,0,1,0,1,0|2,0,0]=4 94 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,0,1,0,1,0|2,0,0]=4 95 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,0,1,0,1,0|2,0,0]=4 96 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,0,1,0,1,0|2,0,0]=4 97 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,0,1,0,1,0|2,0,0]=4 98 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,0,0,0,2,0|1,0,1]=4 99 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,0,0,0,2,0|2,0,0]=4 100 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,0,0,0,2,0|1,0,0]=3 101 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,0,0,0,2,0|1,0,0]=3 102 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,0,0,0,0,2|1,0,0]=3