0 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [0,0,0,0,0,0|0,0,4]=4 1 B8R1.7 O=C(O)[C@@H]1CCCN1 HMDB0000162 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.7 O=C(O)[C@H]1CCCN1 HMDB0003411 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HMDB0000725 [0,1,0,0,0,0|0,0,0]=1 4 B9R1.35 O=C1CCC(C(=O)O)O1 HMDB0059743 [0,1,0,0,0,0|1,0,1]=3 5 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HMDB0000267 [0,1,0,0,0,0|0,0,1]=2 6 B9R1.41 CN1CCC[C@H]1C(=O)O HMDB0094696 [0,1,0,0,0,0|0,0,0]=1 7 B7R0.4 CCCCCC(=O)O HMDB0000535 [0,0,1,0,0,0|1,0,0]=2 8 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,0,1,0,0,0|2,0,0]=3 9 B7R0.4 NCCCCC(=O)O HMDB0003355 [0,0,1,0,0,0|0,0,0]=1 10 B7R0.4 NCCOCC(=O)O HMDB0060587 [0,0,1,0,0,0|1,0,0]=2 11 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [0,0,1,0,0,0|1,0,1]=3 12 B7R0.5 CCCC(O)C(=O)O HMDB0001863 [0,0,1,0,0,0|1,0,0]=2 13 B7R0.5 CCC[C@@H](N)C(=O)O HMDB0013716 [0,0,1,0,0,0|0,0,0]=1 14 B7R0.5 CSC[C@H](N)C(=O)O HMDB0002108 [0,0,1,0,0,0|1,0,0]=2 15 B7R0.5 NC(CCS)C(=O)O HMDB0000742 [0,0,1,0,0,0|1,0,0]=2 16 B7R0.5 NCCC(N)C(=O)O HMDB0002362 [0,0,1,0,0,0|1,0,0]=2 17 B7R0.5 NCC[C@H](N)C(=O)O HMDB0006284 [0,0,1,0,0,0|1,0,0]=2 18 B7R0.5 N[C@@H](CCO)C(=O)O HMDB0000719 [0,0,1,0,0,0|1,0,0]=2 19 B7R0.5 O=C(O)C(O)CCO HMDB0000360 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.15 CCC(CO)C(=O)O HMDB0000396 [0,0,1,0,0,0|2,0,0]=3 21 B9R1.6 O=C(O)C1CCCCN1 HMDB0000070 [0,0,0,0,0,1|0,0,0]=1 22 B6R0.4 C=CCCC(=O)O HMDB0031602 [1,0,1,0,0,0|0,0,2]=4 23 B6R0.4 CCCCC(=O)O HMDB0000892 [1,0,1,0,0,0|0,0,0]=2 24 B6R0.4 CCCCC(C)=O HMDB0005842 [1,0,1,0,0,0|1,0,0]=3 25 B6R0.4 CSCCC(=O)O HMDB0001527 [1,0,1,0,0,0|1,0,0]=3 26 B6R0.4 NCCCC(=O)O HMDB0000112 [1,0,1,0,0,0|0,0,0]=2 27 B6R0.4 O=C(O)CCCO HMDB0000710 [1,0,1,0,0,0|1,0,0]=3 28 B6R0.4 O=CCCC(=O)O HMDB0001259 [1,0,1,0,0,0|1,0,1]=4 29 B6R0.6 CCCCCC=O HMDB0005994 [1,0,1,0,0,0|1,0,0]=3 30 B6R0.6 NCCCCCN HMDB0002322 [1,0,1,0,0,0|1,0,1]=4 31 B6R0.6 OCCNCCO HMDB0004437 [1,0,1,0,0,0|1,0,1]=4 32 B6R0.3 CC(CN)C(=O)O HMDB0003911 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [1,0,1,0,0,0|1,0,1]=4 34 B6R0.3 CCC(C)C(=O)O HMDB0002176 [1,0,1,0,0,0|0,0,0]=2 35 B6R0.3 CCC(O)C(=O)O HMDB0000008 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [1,0,1,0,0,0|0,0,0]=2 37 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [1,0,1,0,0,0|0,0,0]=2 38 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [1,0,1,0,0,0|0,0,0]=2 39 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [1,0,1,0,0,0|1,0,0]=3 41 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [1,0,1,0,0,0|1,0,0]=3 42 B6R0.3 NC[C@H](N)C(=O)O HMDB0002006 [1,0,1,0,0,0|1,0,0]=3 43 B6R0.3 N[C@@H](CO)C(=O)O HMDB0000187 [1,0,1,0,0,0|1,0,0]=3 44 B6R0.3 N[C@@H](CS)C(=O)O HMDB0000574 [1,0,1,0,0,0|1,0,0]=3 45 B6R0.3 N[C@H](CO)C(=O)O HMDB0003406 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.3 O=C(O)C(O)CS HMDB0002127 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.3 O=C(O)[C@@H](O)CO HMDB0006372 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.3 O=C(O)[C@H](O)CO HMDB0000139 [1,0,1,0,0,0|2,0,0]=4 49 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,1,1,0,0,0|1,0,0]=3 50 B8R0.7 CCCCCC[N+](=O)O HMDB0013812 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.7 N=C(N)NCCCCN HMDB0001432 [0,1,1,0,0,0|2,0,0]=4 52 B8R0.8 CCCCC(O)C(=O)O HMDB0001624 [0,1,1,0,0,0|1,0,0]=3 53 B8R0.8 CCCC[C@H](N)C(=O)O HMDB0001645 [0,1,1,0,0,0|1,0,0]=3 54 B8R0.8 CSCC[C@H](N)C(=O)O HMDB0000696 [0,1,1,0,0,0|2,0,0]=4 55 B8R0.8 C[Se]CCC(N)C(=O)O HMDB0003966 [0,1,1,0,0,0|2,0,0]=4 56 B8R0.8 NCCC[C@H](N)C(=O)O HMDB0000214 [0,1,1,0,0,0|0,0,0]=2 57 B8R0.9 C=CC(N)CCC(=O)O HMDB0015212 [0,1,1,0,0,0|1,0,1]=4 58 B8R0.9 CCC(=O)NCC(=O)O HMDB0000783 [0,1,1,0,0,0|0,0,1]=3 59 B8R0.9 NCC(=O)CCC(=O)O HMDB0001149 [0,1,1,0,0,0|0,0,1]=3 60 B8R0.9 NCC(=O)NCC(=O)O HMDB0011733 [0,1,1,0,0,0|1,0,1]=4 61 B8R0.28 CC(O)CCCC(=O)O HMDB0000525 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.28 O=C(O)CCCC(=O)O HMDB0000661 [0,1,1,0,0,0|1,0,1]=4 63 B8R0.28 O=C(O)CNCC(=O)O HMDB0011753 [0,1,1,0,0,0|1,0,1]=4 64 B8R0.2 CCC(=O)C(C)C(=O)O HMDB0000408 [0,1,1,0,0,0|1,0,0]=3 65 B8R0.2 CCC(C)C(=O)C(=O)O HMDB0000491 [0,1,1,0,0,0|1,0,1]=4 66 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O HMDB0000317 [0,1,1,0,0,0|1,0,0]=3 67 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HMDB0000557 [0,1,1,0,0,0|0,0,0]=2 68 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HMDB0000172 [0,1,1,0,0,0|0,0,0]=2 69 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO HMDB0000943 [0,1,1,0,0,0|2,0,0]=4 70 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO HMDB0000613 [0,1,1,0,0,0|2,0,0]=4 71 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HMDB0000766 [0,1,1,0,0,0|0,0,1]=3 72 B8R0.23 CC(C)CC(=O)C(=O)O HMDB0000695 [0,1,1,0,0,0|1,0,1]=4 73 B8R0.23 CC(C)CC(O)C(=O)O HMDB0000665 [0,1,1,0,0,0|1,0,0]=3 74 B8R0.23 CC(C)C[C@H](N)C(=O)O HMDB0000687 [0,1,1,0,0,0|0,0,0]=2 75 B8R0.23 CC(C)C[C@H](O)C(=O)O HMDB0000746 [0,1,1,0,0,0|1,0,0]=3 76 B8R0.23 NC(=O)C[C@H](N)C(=O)O HMDB0000168 [0,1,1,0,0,0|1,0,1]=4 77 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HMDB0000191 [0,1,1,0,0,0|1,0,1]=4 78 B8R0.23 N[C@H](CC(=O)O)C(=O)O HMDB0006483 [0,1,1,0,0,0|1,0,1]=4 79 B8R0.18 CCC(C(=O)O)C(=O)O HMDB0000622 [0,1,1,0,0,0|2,0,0]=4 80 B10R1.13 O=C(O)C1CCC(O)CC1 HMDB0001988 [0,1,0,0,0,1|1,0,0]=3 81 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] HMDB0004827 [0,2,0,0,0,0|0,0,2]=4 82 B8R1.2 O=NC1CCNCC1 HMDB0061162 [1,0,0,0,0,1|2,0,0]=4 83 B10R1.18 O=C(O)CN1CCOCC1 HMDB0061156 [0,0,0,0,0,2|2,0,0]=4