0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HMDB0003011 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.7 CC(C)C(=O)NCC(=O)O HMDB0000730 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(CCC(=O)O)C(=O)O HMDB0000422 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.7 CC(CNC(N)=O)C(=O)O HMDB0002031 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 CS(=O)CCC(N)C(=O)O HMDB0002005 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 C\C(=C/CC(=O)O)C(=O)O HMDB0002266 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.7 N=C(O)NCC(F)C(=O)O HMDB0060435 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HMDB0000641 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HMDB0000148 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HMDB0003339 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.7 O=C(O)CCC(=O)C(=O)O HMDB0000208 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.7 O=C(O)CCC(O)C(=O)O HMDB0059655 [0,0,0,0,0,0|0,0,2]=2 12 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O HMDB0000606 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HMDB0000694 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.8 CSCCC(=O)C(=O)O HMDB0001553 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.9 C=CC(N)CCC(=O)O HMDB0015212 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.9 CCC(=O)NCC(=O)O HMDB0000783 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.9 NCC(=O)CCC(=O)O HMDB0001149 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.9 NCC(=O)NCC(=O)O HMDB0011733 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(=O)CCCC(C)=O HMDB0029165 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.28 CC(O)CCCC(=O)O HMDB0000525 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.28 N=C(O)NCCC(=O)O HMDB0000026 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.28 O=C(O)CCCC(=O)O HMDB0000661 [1,0,0,0,0,0|0,0,1]=2 23 B8R0.28 O=C(O)CNCC(=O)O HMDB0011753 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.28 O=C(O)CSCC(=O)O HMDB0042032 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0000620 [1,0,0,0,0,0|0,0,1]=2 26 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0061185 [1,0,0,0,0,0|0,0,1]=2 27 B10R0.13 C=C(CC(=O)O)C(=C)C(=O)O HMDB0059731 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.57 C\C=C(/C)C(=O)NCC(=O)O HMDB0000959 [0,1,0,0,0,0|3,0,0]=4 29 B10R0.84 CCC(CCC(=O)O)C(=O)O HMDB0059738 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O HMDB0062660 [0,1,0,0,0,0|1,0,1]=3 31 B10R0.84 O=C(O)CC\C(=N/O)C(=O)O HMDB0002467 [0,1,0,0,0,0|0,0,1]=2 32 B8R0.23 CC(C)CC(=O)C(=O)O HMDB0000695 [0,0,0,0,1,0|2,0,1]=4 33 B8R0.23 CC(CC(=O)O)C(=O)O HMDB0001844 [0,0,0,0,1,0|1,0,1]=3 34 B8R0.23 C\C(=C\C(=O)O)C(=O)O HMDB0000634 [0,0,0,0,1,0|1,0,1]=3 35 B8R0.23 NC(=O)C[C@H](N)C(=O)O HMDB0000168 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HMDB0000191 [0,0,0,0,1,0|1,0,1]=3 37 B8R0.23 N[C@H](CC(=O)O)C(=O)O HMDB0006483 [0,0,0,0,1,0|1,0,1]=3 38 B8R0.23 O=C(O)CC(=O)C(=O)O HMDB0000223 [0,0,0,0,1,0|0,0,0]=1 39 B8R0.23 O=C(O)CC(O)C(=O)O HMDB0000744 [0,0,0,0,1,0|0,0,2]=3 40 B8R0.23 O=C(O)C[C@H](O)C(=O)O HMDB0000156 [0,0,0,0,1,0|0,0,2]=3 41 B10R0.96 CC(=O)CC(=O)CCC(=O)O HMDB0000635 [0,0,0,0,0,1|1,0,0]=2 42 B10R0.96 CC(C)=CC(=O)NCC(=O)O HMDB0000459 [0,0,0,0,0,1|3,0,0]=4 43 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O HMDB0000555 [0,0,0,0,0,1|1,0,1]=3 44 B10R0.96 O=C(O)CCC(O)CC(=O)O HMDB0000345 [0,0,0,0,0,1|0,0,2]=3 45 B10R0.98 NC(CCCC(=O)O)C(=O)O HMDB0000510 [0,0,0,0,0,1|1,0,1]=3 46 B10R0.98 O=C(O)CCCC(=O)C(=O)O HMDB0000225 [0,0,0,0,0,1|0,0,0]=1 47 B10R0.98 O=C(O)CCCC(O)C(=O)O HMDB0000321 [0,0,0,0,0,1|0,0,2]=3 48 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [2,0,0,0,0,0|0,0,1]=3 49 B7R0.5 N[C@@H](CCO)C(=O)O HMDB0000719 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.5 O=C(O)C(O)CCO HMDB0000360 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.6 O=C(O)CCC(=O)O HMDB0000254 [2,0,0,0,0,0|0,0,0]=2 54 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000134 [2,0,0,0,0,0|0,0,2]=4 55 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000176 [2,0,0,0,0,0|0,0,2]=4 56 B9R0.47 NC(CCCC=O)C(=O)O HMDB0001263 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.24 COC(=O)CCC(=O)CN HMDB0015127 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.1 COC(=O)CCCC(=O)O HMDB0000858 [1,1,0,0,0,0|0,0,1]=3 59 B9R0.53 CC(CC(=O)O)CC(=O)O HMDB0000752 [1,1,0,0,0,0|0,0,1]=3 60 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HMDB0000522 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.53 O=C(O)CC(O)CC(=O)O HMDB0000428 [1,1,0,0,0,0|0,0,1]=3 62 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [1,1,0,0,0,0|0,0,2]=4 63 B9R0.11 CC(O)(CC(=O)O)C(=O)O HMDB0000426 [0,1,0,0,1,0|0,0,2]=4 64 B9R0.79 C=C(C(=C)C(=O)O)C(=O)O HMDB0059762 [0,1,0,0,1,0|1,0,1]=4 65 B9R0.79 O=C(O)C(S)C(S)C(=O)O HMDB0014706 [0,1,0,0,1,0|0,1,1]=4 66 B11R0.33 CC(CC(=O)O)CC(C)C(=O)O HMDB0059727 [0,1,0,0,0,1|1,0,1]=4 67 B11R0.149 C=C(CC(=O)O)C(=C)CC(=O)O HMDB0059756 [0,1,0,0,0,1|1,0,1]=4 68 B11R0.146 CCCC(CCC(=O)O)C(=O)O HMDB0060684 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.146 N=CN[C@@H](CCC(=O)O)C(=O)O HMDB0000854 [0,2,0,0,0,0|1,0,1]=4 70 B9R1.35 O=C1CCC(C(=O)O)O1 HMDB0059743 [1,0,0,1,0,0|0,0,2]=4 71 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HMDB0000267 [1,0,0,1,0,0|1,0,1]=4 72 B7R0.16 CC(C(=O)O)C(=O)O HMDB0000202 [0,0,0,0,2,0|1,0,1]=4 73 B7R0.16 NC(C(=O)O)C(=O)O HMDB0001147 [0,0,0,0,2,0|1,0,1]=4 74 B9R0.55 CC(=O)NCCCC(=O)O HMDB0003681 [1,0,0,0,0,1|1,0,1]=4 75 B9R0.55 O=C(O)CCCCC(=O)O HMDB0000448 [1,0,0,0,0,1|0,0,1]=3 76 B9R0.55 O=C(O)\C=C/C=C\C(=O)O HMDB0002349 [1,0,0,0,0,1|0,0,2]=4 77 B9R0.55 O=C(O)\C=C\CCC(=O)O HMDB0013311 [1,0,0,0,0,1|0,0,0]=2 78 B11R0.6 CC(CCCC(=O)O)CC(=O)O HMDB0059757 [0,0,0,0,0,2|1,0,1]=4