0 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.6 NC(=N)NCC(O)=O HMDB0000128 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O HMDB0000366 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.48 OC(=O)CNC(=O)CC=C HMDB0000894 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 OC1CC(N=C1)C(O)=O HMDB0001369 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.35 OC1CN[C@@H](C1)C(O)=O HMDB0006055 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O HMDB0000725 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [0,0,0,1,0,0|1,0,0]=2 35 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,0,0,0,1,0|2,0,1]=4 36 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,0,0,0,1,0|1,0,2]=4 37 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,0,0,0,1,0|1,0,2]=4 38 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,0,0,0,1,0|2,0,1]=4 39 B6R0.1 CCCC(O)C=C HMDB0031503 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.4 CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,1]=3 43 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|0,0,0]=2 47 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.6 NCCCCC=O HMDB0012815 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.6 O=CCCCC=O HMDB0029599 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,1,0,0,0,0|0,0,2]=4 56 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.7 CCCCOCC(O)=O HMDB0041844 [1,1,0,0,0,0|0,0,2]=4 62 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,1,0,0,0,0|0,0,1]=3 63 B8R0.7 OCCCCCC(O)=O HMDB0012843 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|0,0,2]=4 66 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,1,0,0,0,0|0,0,2]=4 68 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [1,1,0,0,0,0|1,0,0]=3 71 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [1,1,0,0,0,0|1,0,1]=4 79 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,1,0,0,0,1|2,0,0]=4 80 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,1,0,0,0,1|2,0,0]=4 81 B10R0.98 NC(CCCC(O)=O)C(O)=O HMDB0000510 [0,1,0,0,0,1|1,0,0]=3 82 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,1,0,0,0,1|1,0,0]=3 83 B10R0.98 OC(CCCC(O)=O)C(O)=O HMDB0000321 [0,1,0,0,0,1|2,0,0]=4 84 B10R0.98 O[C@H](CCCC(O)=O)C(O)=O HMDB0000368 [0,1,0,0,0,1|2,0,0]=4 85 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O HMDB0002205 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.93 NC(CC(=C)C(O)=O)C(O)=O HMDB0029433 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.93 N[C@@H](CC(O)C([O-])=O)C([O-])=O HMDB0002273 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.26 C/C=C\S(=O)CC(N)C(O)=O HMDB0029441 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,2,0,0,0,0|1,0,1]=4 91 B10R0.96 OC(CCC(O)=O)CC(O)=O HMDB0000345 [0,2,0,0,0,0|1,0,1]=4 92 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|0,0,2]=4 95 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.66 OC(=O)CCC1=CN=CN1 HMDB0002271 [0,1,0,1,0,0|0,0,1]=3 101 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,1,0|1,0,1]=4 102 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,1,0|0,0,1]=3 103 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,0,0,0,1,0|1,0,1]=4 104 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,0,0,0,1,0|1,0,1]=4 105 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,0,0,0,1,0|1,0,1]=4 106 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,0,0,0,2,0|2,0,0]=4 107 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,0,0,0,2,0|0,0,2]=4 108 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,2,0|0,0,2]=4 109 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,0,0,0,2,0|2,0,0]=4 110 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,0,0,0,2,0|1,0,0]=3 111 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,0,0,0,2,0|1,0,1]=4 112 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,0,0,0,2,0|1,0,1]=4 113 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,2,0|1,0,1]=4 114 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,0,0,0,2,0|1,0,1]=4 115 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,0,0,0,2,0|1,0,1]=4 116 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,0,0,0,2,0|1,0,1]=4 117 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,0,0,0,2,0|2,0,0]=4