0 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,0,0,0,0,0|1,0,3]=4 16 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,0,0,0,0,0|1,0,1]=2 20 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,0,0,0,0,0|1,0,3]=4 21 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|1,1,1]=3 24 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,0,0,0,0,0|1,1,1]=3 25 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,0,0,0,0,0|1,1,1]=3 27 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,0,0,0,0,0|0,1,0]=1 28 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,0,0,0,0,0|0,0,4]=4 29 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,0,0,0,0,0|0,1,2]=3 30 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,0,0,0,0,0|0,0,2]=2 32 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,0,0,0,0,0|0,0,2]=2 33 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,0,0,0,0,0|0,0,2]=2 34 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,1,0]=4 40 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|0,0,3]=4 52 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|0,0,1]=2 54 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 OCC(=O)CO HMDB0001882 [1,0,0,0,0,0|0,0,1]=2 62 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,0,0,0,0|0,0,2]=3 63 B5R0.3 OCC(O)CO HMDB0000131 [1,0,0,0,0,0|0,0,3]=4 64 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,0,0,0,0,0|0,0,0]=1 67 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,0,0,0,0,0|0,1,1]=3 69 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,0,0,0,0,0|0,0,2]=3 71 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.5 OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|0,0,0]=1 74 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,1,0,0,0,0|1,1,1]=4 83 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,1,0,0,0,0|1,1,1]=4 84 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|1,1,1]=4 85 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,1,0,0,0,0|1,1,1]=4 86 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|0,0,0]=1 92 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,1,0,0,0,0|0,0,2]=3 93 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,1,0,0,0,0|0,0,2]=3 96 B7R0.13 CC(O)(CO)C(O)=O HMDB0002601 [0,1,0,0,0,0|0,0,2]=3 97 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,0,0|0,0,2]=3 107 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,0,0|0,0,2]=3 110 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,1,0,0,0,0|0,0,1]=2 113 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|2,0,1]=4 116 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,0,0,0,0,1|1,0,1]=3 117 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,0,0,0,0,1|2,0,1]=4 118 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,0,0,0,0,1|1,0,2]=4 119 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,0,0,0,0,1|3,0,0]=4 120 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,0,0,0,0,1|0,0,2]=3 121 B4R0.1 CC(=C)C=C HMDB0032344 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|0,0,0]=2 123 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|0,0,1]=3 125 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|0,1,1]=4 126 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|0,0,2]=4 132 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|0,0,2]=4 133 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.1 NC(=O)C=C HMDB0004296 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 NC(=O)C=C HMDB0032161 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 OC(=O)C#C HMDB0006804 [2,0,0,0,0,0|0,0,2]=4 138 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,1]=3 139 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|0,0,0]=2 140 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,0]=3 141 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|0,0,0]=2 142 B4R0.2 C/C=C/SO HMDB0031636 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.2 ClC/C=C/Cl HMDB0013592 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|0,0,1]=3 149 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|0,0,1]=3 155 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|0,0,2]=4 158 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|0,1,1]=4 163 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|0,0,2]=4 166 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,0,1]=3 168 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,1,0,0,0,1|1,0,0]=3 172 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,1,0,0,0,1|0,0,2]=4 173 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,1,0,0,0,1|0,0,2]=4 174 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,1,0,0,0,1|0,0,2]=4 175 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,1,0,0,0,1|1,0,0]=3 176 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,1,0,0,0,1|2,0,0]=4 177 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,1,0,0,0,1|2,0,0]=4 178 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,1,0,0,0,1|1,0,0]=3 179 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,1,0,0,0,1|1,0,1]=4 180 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,1,0,0,0,1|1,0,1]=4 181 B8R0.23 OC(=O)C(=O)CS(O)=O HMDB0002332 [0,1,0,0,0,1|1,0,1]=4 182 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [0,1,0,0,0,1|1,0,1]=4 183 B8R0.23 OC(=O)CC(=N)C(O)=O HMDB0001131 [0,1,0,0,0,1|1,0,1]=4 184 B8R0.23 OC(=O)CC(=O)C(O)=O HMDB0000223 [0,1,0,0,0,1|0,0,1]=3 185 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,2,0,0,0,0|1,0,0]=3 190 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|0,1,0]=3 191 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|1,0,0]=3 193 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,2,0,0,0,0|0,0,2]=4 195 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,2,0,0,0,0|0,0,2]=4 196 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,2,0,0,0,0|1,0,1]=4 197 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|1,0,1]=4 198 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,1]=4 199 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,0,0,1,0,1|2,0,0]=4 201 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,0,0,1,0,1|2,0,0]=4 202 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.7 OC(=O)C1=COC=C1 HMDB0000444 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|0,0,2]=4 207 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|0,0,2]=4 208 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,0,0,0,0,2|1,0,0]=3 209 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,0,0,0,2|2,0,0]=4 210 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,0,0,0,0,2|1,0,0]=3 211 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [0,0,0,0,0,2|1,0,0]=3 212 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [0,0,0,0,0,2|0,0,2]=4 213 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [0,0,0,0,0,2|1,0,1]=4