0 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HMDB0000725 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C1CCC(C(=O)O)O1 HMDB0059743 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HMDB0000267 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [1,0,0,0,0,0|0,0,3]=4 4 B8R1.7 O=C(O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,0,0,0|0,0,1]=2 5 B8R1.7 O=C(O)[C@H]1CCCN1 HMDB0003411 [1,0,0,0,0,0|0,0,1]=2 6 B8R0.8 CCCCC(O)C(=O)O HMDB0001624 [0,0,1,0,0,0|2,0,1]=4 7 B8R0.8 CCCC[C@H](N)C(=O)O HMDB0001645 [0,0,1,0,0,0|1,0,1]=3 8 B8R0.8 CSCC[C@H](N)C(=O)O HMDB0000696 [0,0,1,0,0,0|2,0,0]=3 9 B8R0.8 C[Se]CCC(N)C(=O)O HMDB0003966 [0,0,1,0,0,0|2,0,0]=3 10 B8R0.8 NCCC[C@H](N)C(=O)O HMDB0000214 [0,0,1,0,0,0|1,0,1]=3 11 B8R0.9 CCC(=O)NCC(=O)O HMDB0000783 [0,0,1,0,0,0|0,0,0]=1 12 B8R0.9 NCC(=O)CCC(=O)O HMDB0001149 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.9 NCC(=O)NCC(=O)O HMDB0011733 [0,0,1,0,0,0|1,0,0]=2 14 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HMDB0000766 [0,0,1,0,0,0|0,0,0]=1 15 B8R0.23 CC(CC(=O)O)C(=O)O HMDB0001844 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.23 C\C(=C\C(=O)O)C(=O)O HMDB0000634 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.23 NC(=O)C[C@H](N)C(=O)O HMDB0000168 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HMDB0000191 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.23 N[C@H](CC(=O)O)C(=O)O HMDB0006483 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.23 O=C(O)CC(O)C(=O)O HMDB0000744 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.23 O=C(O)C[C@H](O)C(=O)O HMDB0000156 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.28 CC(=O)CCCC(C)=O HMDB0029165 [0,0,1,0,0,0|2,0,0]=3 23 B8R0.28 CC(O)CCCC(=O)O HMDB0000525 [0,0,1,0,0,0|1,0,2]=4 24 B8R0.28 N=C(O)NCCC(=O)O HMDB0000026 [0,0,1,0,0,0|1,0,2]=4 25 B8R0.28 O=C(O)CCCC(=O)O HMDB0000661 [0,0,1,0,0,0|1,0,0]=2 26 B8R0.28 O=C(O)CNCC(=O)O HMDB0011753 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.28 O=C(O)CSCC(=O)O HMDB0042032 [0,0,1,0,0,0|2,0,0]=3 28 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0000620 [0,0,1,0,0,0|1,0,2]=4 29 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0061185 [0,0,1,0,0,0|1,0,2]=4 30 B10R1.13 O=C(O)C1CCC(O)CC1 HMDB0001988 [0,0,0,0,0,1|1,0,2]=4 31 B7R0.4 CCCCCC(=O)O HMDB0000535 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.4 NCCCCC(=O)O HMDB0003355 [1,0,1,0,0,0|0,0,1]=3 33 B7R0.4 NCCOCC(=O)O HMDB0060587 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.5 CCCC(O)C(=O)O HMDB0001863 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 CCC[C@@H](N)C(=O)O HMDB0013716 [1,0,1,0,0,0|0,0,1]=3 36 B7R0.5 CSC[C@H](N)C(=O)O HMDB0002108 [1,0,1,0,0,0|1,0,1]=4 37 B7R0.5 NC(CCS)C(=O)O HMDB0000742 [1,0,1,0,0,0|0,1,0]=3 38 B7R0.5 NCCC(N)C(=O)O HMDB0002362 [1,0,1,0,0,0|1,0,0]=3 39 B7R0.5 NCC[C@H](N)C(=O)O HMDB0006284 [1,0,1,0,0,0|1,0,0]=3 40 B7R0.5 N[C@@H](CCO)C(=O)O HMDB0000719 [1,0,1,0,0,0|0,0,1]=3 41 B7R0.5 O=C(O)C(O)CCO HMDB0000360 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [1,0,1,0,0,0|1,0,0]=3 43 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [1,0,1,0,0,0|0,0,0]=2 44 B7R0.6 N=C(N)NCC(=O)O HMDB0000128 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.6 O=C(O)CCC(=O)O HMDB0000254 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.15 CCC(CO)C(=O)O HMDB0000396 [1,0,1,0,0,0|0,0,2]=4 47 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HMDB0003011 [0,1,1,0,0,0|1,0,0]=3 49 B9R0.7 CC(CCC(=O)O)C(=O)O HMDB0000422 [0,1,1,0,0,0|1,0,0]=3 50 B9R0.7 CC(CNC(N)=O)C(=O)O HMDB0002031 [0,1,1,0,0,0|2,0,0]=4 51 B9R0.7 CS(=O)CCC(N)C(=O)O HMDB0002005 [0,1,1,0,0,0|1,0,0]=3 52 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HMDB0000641 [0,1,1,0,0,0|0,0,0]=2 53 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HMDB0000148 [0,1,1,0,0,0|0,0,0]=2 54 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HMDB0003339 [0,1,1,0,0,0|0,0,0]=2 55 B9R0.7 O=C(O)CCC(=O)C(=O)O HMDB0000208 [0,1,1,0,0,0|1,0,1]=4 56 B9R0.7 O=C(O)CCC(O)C(=O)O HMDB0059655 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O HMDB0000606 [0,1,1,0,0,0|1,0,0]=3 58 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HMDB0000694 [0,1,1,0,0,0|1,0,0]=3 59 B9R0.47 NC(CCCC=O)C(=O)O HMDB0001263 [0,1,1,0,0,0|0,0,0]=2 60 B9R0.47 NCCCC[C@H](N)C(=O)O HMDB0000182 [0,1,1,0,0,0|1,0,1]=4 61 B9R0.24 COC(=O)CCC(=O)CN HMDB0015127 [0,1,1,0,0,0|2,0,0]=4 62 B9R0.48 CCCC(=O)NCC(=O)O HMDB0000808 [0,1,1,0,0,0|0,0,0]=2 63 B9R0.15 C=CCC(CCC)C(=O)O HMDB0013897 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.15 C\C=C/C(CCC)C(=O)O HMDB0013903 [0,1,1,0,0,0|2,0,0]=4 65 B9R0.15 C\C=C\C(CCC)C(=O)O HMDB0013904 [0,1,1,0,0,0|2,0,0]=4 66 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HMDB0002931 [0,1,1,0,0,0|1,0,0]=3 67 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HMDB0001890 [0,1,1,0,0,0|1,0,0]=3 68 B9R0.11 CC(O)(CC(=O)O)C(=O)O HMDB0000426 [0,1,1,0,0,0|2,0,0]=4 69 B9R0.1 COC(=O)CCCC(=O)O HMDB0000858 [0,1,1,0,0,0|1,0,0]=3 70 B9R0.53 CC(CC(=O)O)CC(=O)O HMDB0000752 [0,1,1,0,0,0|1,0,0]=3 71 B9R0.53 O=C(O)CC(O)CC(=O)O HMDB0000428 [0,1,1,0,0,0|1,0,0]=3 72 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [0,1,1,0,0,0|1,0,1]=4 73 B9R1.41 CN1CCC[C@H]1C(=O)O HMDB0094696 [1,1,0,0,0,0|0,0,1]=3 74 B9R1.6 O=C(O)C1CCCCN1 HMDB0000070 [0,0,1,1,0,0|1,0,1]=4 75 B7R0.16 CC(=O)C(C)C(=O)O HMDB0003771 [0,0,1,0,1,0|0,0,0]=2 76 B7R0.16 CC(C(=O)O)C(=O)O HMDB0000202 [0,0,1,0,1,0|1,0,0]=3 77 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,0,1,0,1,0|0,0,2]=4 78 B7R0.16 NC(C(=O)O)C(=O)O HMDB0001147 [0,0,1,0,1,0|2,0,0]=4 79 B9R0.55 CC(=O)NCCCC(=O)O HMDB0003681 [0,0,1,0,0,1|1,0,0]=3 80 B9R0.55 NC(N)=NCCCC(=O)O HMDB0003464 [0,0,1,0,0,1|1,0,0]=3 81 B9R0.55 O=C(O)CCCCC(=O)O HMDB0000448 [0,0,1,0,0,1|1,0,0]=3 82 B9R0.55 O=C(O)\C=C\CCC(=O)O HMDB0013311 [0,0,1,0,0,1|1,0,1]=4