0 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HMDB0000766 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 CC(C)CC(=O)C(=O)O HMDB0000695 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.23 CC(C)CC(O)C(=O)O HMDB0000665 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.23 CC(C)C[C@H](N)C(=O)O HMDB0000687 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.23 CC(C)C[C@H](O)C(=O)O HMDB0000746 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 C\C(=C\C(=O)O)C(=O)O HMDB0000634 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.5 CCCC(O)C(=O)O HMDB0001863 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.5 CCC[C@@H](N)C(=O)O HMDB0013716 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.6 CC(=O)CCC(C)C HMDB0031549 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.6 CC(C)CCC(=O)O HMDB0000689 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000134 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000176 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.16 CC(=O)C(C)C(=O)O HMDB0003771 [0,0,0,0,1,0|1,0,2]=4 14 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,0,0,0,1,0|1,0,0]=2 15 B7R0.16 CC(C)C(O)C(=O)O HMDB0000407 [0,0,0,0,1,0|1,0,1]=3 16 B7R0.16 CC(C)[C@H](N)C(=O)O HMDB0000883 [0,0,0,0,1,0|1,0,1]=3 17 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,0,0,0,1,0|1,0,1]=3 18 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O HMDB0000498 [0,0,0,0,1,0|2,0,1]=4 19 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HMDB0000167 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O HMDB0002453 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.16 C[C@H](O)[C@H](N)C(=O)O HMDB0004041 [0,0,0,0,1,0|2,0,1]=4 22 B9R0.7 C\C(=C/CC(=O)O)C(=O)O HMDB0002266 [0,0,0,0,0,1|2,0,1]=4 23 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HMDB0000522 [0,0,0,0,0,1|2,0,1]=4 24 B6R0.2 CC(=O)CC(C)C HMDB0002939 [2,0,0,0,0,0|0,0,1]=3 25 B6R0.2 CC(C)=CC(=O)O HMDB0000509 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.2 CC(C)CC(=O)O HMDB0000718 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 CCCCC(=O)O HMDB0000892 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.3 CC(CN)C(=O)O HMDB0003911 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 CCC(C)C(=O)O HMDB0002176 [2,0,0,0,0,0|0,0,1]=3 31 B6R0.3 CCC(O)C(=O)O HMDB0000008 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [2,0,0,0,0,0|0,0,1]=3 34 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.3 O=C(O)C(=O)CO HMDB0001352 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.8 CSCCC(=O)C(=O)O HMDB0001553 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O HMDB0012141 [0,1,0,0,1,0|1,0,1]=4 42 B8R0.27 CC(C)(S)C(N)C(=O)O HMDB0014997 [0,1,0,0,1,0|1,0,1]=4 43 B10R0.70 CC(C)C[C@H](CN)CC(=O)O HMDB0014375 [0,1,0,0,0,1|0,0,2]=4 44 B8R1.7 O=C(O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 O=C(O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.271 CN1C(=O)OC(C)(C)C1=O HMDB0014491 [0,1,0,1,0,0|1,0,0]=3