0 B5R0.5 CC(=O)C(=O)O HMDB0000243 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.5 CC(=O)C(C)O HMDB0003243 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 CC(C)C(=O)O HMDB0001873 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [0,0,0,0,0,0|0,0,0]=0 5 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 O=C(O)C(=O)O HMDB0002329 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|0,0,2]=3 8 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(O)CO HMDB0001881 [1,0,0,0,0,0|0,0,1]=2 13 B4R0.1 CCC(=O)O HMDB0000237 [1,0,0,0,0,0|0,0,0]=1 14 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CN(C)C=O HMDB0001888 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CNC(=N)N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 C\C(O)=N\N HMDB0060428 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 NC(=O)NO HMDB0015140 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 NCC(=O)O HMDB0000123 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 O=C(O)CO HMDB0000115 [1,0,0,0,0,0|0,0,0]=1 21 B4R0.1 O=CC(=O)O HMDB0000119 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.3 CC(CN)C(=O)O HMDB0003911 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.3 CCC(C)C(=O)O HMDB0002176 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 CCC(O)C(=O)O HMDB0000008 [0,1,0,0,0,0|0,0,0]=1 26 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [0,1,0,0,0,0|0,0,0]=1 31 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [0,1,0,0,0,0|0,0,0]=1 32 B6R0.3 NC[C@H](N)C(=O)O HMDB0002006 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.3 N[C@@H](CO)C(=O)O HMDB0000187 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.3 N[C@@H](CS)C(=O)O HMDB0000574 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 N[C@H](CO)C(=O)O HMDB0003406 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 O=C(O)C(=O)CO HMDB0001352 [0,1,0,0,0,0|0,0,2]=3 37 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|0,0,2]=3 38 B6R0.3 O=C(O)C(O)CS HMDB0002127 [0,1,0,0,0,0|0,0,0]=1 39 B6R0.3 O=C(O)[C@@H](O)CO HMDB0006372 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.3 O=C(O)[C@H](O)CO HMDB0000139 [0,1,0,0,0,0|0,0,0]=1 41 B6R0.7 CC(C)(N)C(=O)O HMDB0001906 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.7 CC(C)(O)C(=O)O HMDB0000729 [0,1,0,0,0,0|0,0,0]=1 43 B6R0.7 O=C(O)C(F)(F)F HMDB0014118 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.7 O=C(O)P(=O)(O)O HMDB0014670 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.2 C=C(C)CC(=O)O HMDB0170858 [0,0,0,0,0,1|1,0,1]=3 46 B6R0.2 CC(=O)CC(=O)O HMDB0000060 [0,0,0,0,0,1|0,0,2]=3 47 B6R0.2 CC(=O)CC(C)C HMDB0002939 [0,0,0,0,0,1|2,0,0]=3 48 B6R0.2 CC(C)=CC(=O)O HMDB0000509 [0,0,0,0,0,1|1,0,1]=3 49 B6R0.2 CC(C)CC(=O)O HMDB0000718 [0,0,0,0,0,1|1,0,0]=2 50 B6R0.2 CC(O)CC(=O)O HMDB0000357 [0,0,0,0,0,1|0,0,0]=1 51 B6R0.2 CN(C)CC(=O)O HMDB0000092 [0,0,0,0,0,1|2,0,0]=3 52 B6R0.2 C[C@@H](O)CC(=O)O HMDB0000011 [0,0,0,0,0,1|0,0,0]=1 53 B6R0.2 C[C@H](O)CC(=O)O HMDB0000442 [0,0,0,0,0,1|0,0,0]=1 54 B6R0.2 O=C(O)CC(=O)O HMDB0000691 [0,0,0,0,0,1|1,0,1]=3 55 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 56 B3R0.1 C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4 57 B3R0.1 NCCO HMDB0000149 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 CC(=O)O HMDB0000042 [2,0,0,0,0,0|0,0,0]=2 59 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,1]=3 61 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 O=C(O)O HMDB0000595 [2,0,0,0,0,0|0,0,0]=2 63 B3R0.2 O=S(O)O HMDB0000240 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 CC(C)CC=O HMDB0006478 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.1 CCCC(=O)O HMDB0000039 [1,1,0,0,0,0|0,0,0]=2 66 B5R0.1 CCCC(C)=O HMDB0034235 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.1 CCOC(C)=O HMDB0031217 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.1 CNCC(=O)O HMDB0000271 [1,1,0,0,0,0|0,0,0]=2 69 B5R0.1 NCCC(=O)O HMDB0000056 [1,1,0,0,0,0|0,0,0]=2 70 B5R0.1 NCCS(=O)O HMDB0000965 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 O=C(O)CCO HMDB0000700 [1,1,0,0,0,0|0,0,0]=2 72 B5R0.3 O=C(CO)CO HMDB0001882 [1,1,0,0,0,0|0,0,0]=2 73 B5R0.3 O=CC(O)CO HMDB0001051 [1,1,0,0,0,0|0,0,0]=2 74 B5R0.3 OCC(O)CO HMDB0000131 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.3 OCC(S)CS HMDB0015677 [1,1,0,0,0,0|0,1,1]=4 76 B7R0.2 CC(CO)CC(=O)O HMDB0002011 [0,1,0,0,0,1|0,0,0]=2 77 B7R0.2 CCC(O)CC(=O)O HMDB0000531 [0,1,0,0,0,1|0,0,0]=2 78 B7R0.2 O=C(O)CC(O)CO HMDB0000337 [0,1,0,0,0,1|0,0,0]=2 79 B7R0.9 CC(C)(O)CC(=O)O HMDB0000754 [0,1,0,0,0,1|0,0,0]=2 80 B7R0.16 CC(=O)C(C)C(=O)O HMDB0003771 [0,1,0,0,0,1|0,0,2]=4 81 B7R0.16 CC(C(=O)O)C(=O)O HMDB0000202 [0,1,0,0,0,1|1,0,1]=4 82 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,1,0,0,0,1|1,0,0]=3 83 B7R0.16 CC(C)C(O)C(=O)O HMDB0000407 [0,1,0,0,0,1|1,0,0]=3 84 B7R0.16 CC(C)[C@H](N)C(=O)O HMDB0000883 [0,1,0,0,0,1|1,0,0]=3 85 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,1,0,0,0,1|0,0,0]=2 86 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O HMDB0000498 [0,1,0,0,0,1|0,0,0]=2 87 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HMDB0000167 [0,1,0,0,0,1|0,0,0]=2 88 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O HMDB0002453 [0,1,0,0,0,1|0,0,0]=2 89 B7R0.16 C[C@H](O)[C@H](N)C(=O)O HMDB0004041 [0,1,0,0,0,1|0,0,0]=2 90 B7R0.16 NC(C(=O)O)C(=O)O HMDB0001147 [0,1,0,0,0,1|1,0,1]=4 91 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [0,2,0,0,0,0|0,0,2]=4 92 B7R0.5 CCCC(O)C(=O)O HMDB0001863 [0,2,0,0,0,0|0,0,0]=2 93 B7R0.5 CCC[C@@H](N)C(=O)O HMDB0013716 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.5 CSC[C@H](N)C(=O)O HMDB0002108 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.5 NC(CCS)C(=O)O HMDB0000742 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.5 NCCC(N)C(=O)O HMDB0002362 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.5 NCC[C@H](N)C(=O)O HMDB0006284 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.5 N[C@@H](CCO)C(=O)O HMDB0000719 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.5 O=C(O)C(O)CCO HMDB0000360 [0,2,0,0,0,0|0,0,0]=2 100 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0002994 [0,2,0,0,0,0|0,0,2]=4 101 B7R0.10 OC[C@@H](O)[C@H](O)CO HMDB0004136 [0,2,0,0,0,0|0,0,2]=4 102 B7R0.13 CC(O)(CO)C(=O)O HMDB0002601 [0,2,0,0,0,0|0,0,0]=2 103 B7R0.13 CCC(C)(O)C(=O)O HMDB0001987 [0,2,0,0,0,0|0,0,0]=2 104 B7R0.15 CCC(CO)C(=O)O HMDB0000396 [0,2,0,0,0,0|0,0,0]=2 105 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,0,0,1,0,1|2,0,0]=4 106 B7R1.4 NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|1,0,0]=3 108 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [0,0,0,0,0,2|0,0,2]=4 109 B7R0.6 CC(=O)CCC(C)C HMDB0031549 [0,0,0,0,0,2|2,0,0]=4 110 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [0,0,0,0,0,2|0,0,2]=4 111 B7R0.6 CC(C)CCC(=O)O HMDB0000689 [0,0,0,0,0,2|1,0,0]=3 112 B7R0.6 C\C(O)=N\N=C(\C)O HMDB0060496 [0,0,0,0,0,2|1,0,1]=4 113 B7R0.6 O=C(O)CCC(=O)O HMDB0000254 [0,0,0,0,0,2|1,0,1]=4 114 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000134 [0,0,0,0,0,2|1,0,1]=4 115 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000176 [0,0,0,0,0,2|1,0,1]=4