0 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.23 CN(CC(O)=O)C(O)=N HMDB0012265 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.23 NC(=O)N[C@@H](O)C(O)=O HMDB0001005 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 N[C@@H](CS(=O)=O)C(O)=O HMDB0000996 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 OC(=O)C(=O)CS(O)=O HMDB0002332 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.23 OC(=O)C(=O)CS([O-])=O HMDB0001405 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.23 OC(=O)CC(=C)C(O)=O HMDB0002092 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.23 OC(=O)CC(=N)C(O)=O HMDB0001131 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.23 OC(=O)CC(=O)C(O)=O HMDB0000223 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,0,0,0,0,0|0,1,1]=3 35 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,0,0,0,0,0|0,1,1]=3 36 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,0,0,0,0,0|0,0,1]=2 38 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [1,0,0,0,0,0|0,0,0]=1 39 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [1,0,0,0,0,0|1,1,0]=3 41 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.6 NC(=N)NCC(O)=O HMDB0000128 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,0,0,0,0,0|1,0,0]=2 50 B9R0.11 CC(C)(CC(O)=O)C(O)=O HMDB0002074 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O HMDB0002931 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O HMDB0001890 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [0,1,0,0,0,0|0,0,0]=1 54 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.57 NC(CP(O)(O)=O)C(O)=O HMDB0000370 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.57 NC(CS(O)(=O)=O)C(O)=O HMDB0002757 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,0,0|1,0,2]=4 58 B9R0.79 O[C@@H]([C@H](O)C(O)=O)C(O)=O HMDB0029878 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.35 OC1CN[C@@H](C1)C(O)=O HMDB0006055 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O HMDB0000725 [0,0,0,1,0,0|1,0,2]=4 66 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,0,0,1,0|1,0,0]=2 67 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,1,0|2,0,0]=3 68 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,0,0,0,1,0|2,0,1]=4 69 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,0,0,0,1,0|2,0,0]=3 70 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,0,0,0,1,0|1,0,2]=4 71 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,0,0,0,1,0|1,0,0]=2 72 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,0,0,0,1,0|2,0,1]=4 73 B9R0.7 C/C(=C\CC(O)=O)C(O)=O HMDB0002266 [0,0,0,0,0,1|2,0,1]=4 74 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,0,0,0,0,1|1,0,0]=2 75 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,0,0,0,0,1|2,0,0]=3 76 B9R0.7 CC(CNC(N)=O)C(O)=O HMDB0002031 [0,0,0,0,0,1|1,0,0]=2 77 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,0,0,0,0,1|2,0,0]=3 78 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,0,0,0,0,1|1,0,1]=3 79 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,0,0,0,0,1|2,0,0]=3 80 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,0,0,0,0,1|2,0,0]=3 81 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,0,0,0,0,1|0,0,0]=1 82 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,0,0,0,0,1|1,0,0]=2 83 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,0,0,0,0,1|0,0,0]=1 84 B9R0.7 OC(=O)CCC(=O)C(O)=O HMDB0000208 [0,0,0,0,0,1|2,0,1]=4 85 B9R0.7 OC(CCC(O)=O)C(O)=O HMDB0059655 [0,0,0,0,0,1|2,0,0]=3 86 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000606 [0,0,0,0,0,1|2,0,0]=3 87 B9R0.7 O[C@H](CCC(O)=O)C(O)=O HMDB0000694 [0,0,0,0,0,1|2,0,0]=3 88 B9R0.53 C/C(CC(O)=O)=C\C(O)=O HMDB0000522 [0,0,0,0,0,1|2,0,1]=4 89 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [0,0,0,0,0,1|2,0,0]=3 90 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O HMDB0012115 [0,0,0,0,0,1|1,0,1]=3 91 B9R0.53 OC(=O)CC(=O)CC(=O)O HMDB0013701 [0,0,0,0,0,1|2,0,1]=4 92 B9R0.53 OC(CC(O)=O)CC(O)=O HMDB0000428 [0,0,0,0,0,1|2,0,0]=3 93 B6R0.1 CC(CC=C)C=O HMDB0030332 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.2 CC(O)CC(O)=O HMDB0000357 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|0,0,1]=3 101 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|0,0,0]=2 103 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|0,0,2]=4 104 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 CC(CN)C(O)=O HMDB0003911 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.3 CCC(O)C(O)=O HMDB0000008 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [2,0,0,0,0,0|0,0,1]=3 109 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [2,0,0,0,0,0|0,0,1]=3 111 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [2,0,0,0,0,0|0,0,0]=2 117 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [2,0,0,0,0,0|0,0,0]=2 118 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [2,0,0,0,0,0|0,0,1]=3 119 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [2,0,0,0,0,0|0,1,0]=3 120 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [2,0,0,0,0,0|0,1,0]=3 121 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [2,0,0,0,0,0|0,0,1]=3 122 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [2,0,0,0,0,0|0,1,0]=3 123 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.3 OC(CS)C(O)=O HMDB0002127 [2,0,0,0,0,0|1,1,0]=4 125 B6R0.3 OCC(O)C(O)=O HMDB0031818 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [2,0,0,0,0,0|1,0,1]=4 128 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,1,0,0,0,0|0,1,1]=4 130 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,1,0,0,0,0|0,0,2]=4 131 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,1,0,0,0,0|0,0,1]=3 132 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,1,0,0,0,0|0,0,1]=3 133 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,1,0,0,0,0|0,0,1]=3 134 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [1,1,0,0,0,0|0,0,1]=3 135 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,1,0,0,0,0|0,0,0]=2 136 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [1,1,0,0,0,0|0,0,0]=2 138 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.9 OC(=O)CNC(=O)C=C HMDB0001843 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,1,0,0,1,0|2,0,0]=4 142 B8R0.37 CC(=O)C(C)(O)C(O)=O HMDB0006833 [0,1,0,0,1,0|2,0,0]=4 143 B8R0.37 CC(=O)[C@](C)(O)C(O)=O HMDB0006855 [0,1,0,0,1,0|2,0,0]=4 144 B8R0.37 CC(C)(C(O)=O)C(O)=O HMDB0002001 [0,1,0,0,1,0|2,0,0]=4 145 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O HMDB0000450 [0,1,0,0,0,1|0,0,2]=4 146 B10R0.84 CC(=O)SCC(CS)C(O)=O HMDB0035717 [0,1,0,0,0,1|2,0,0]=4 147 B10R0.84 OCC(NCC(O)=O)C(O)=O HMDB0030393 [0,1,0,0,0,1|2,0,0]=4 148 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,1,0,0,0,1|1,0,1]=4 149 B10R0.92 NC(COP(O)(O)=O)C(O)=O HMDB0001721 [0,1,0,0,0,1|2,0,0]=4 150 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O HMDB0002205 [0,1,0,0,0,1|2,0,0]=4 151 B10R0.92 N[C@@H](COP(O)(O)=O)C(O)=O HMDB0000272 [0,1,0,0,0,1|2,0,0]=4 152 B10R0.92 N[C@@H](CSS(O)(=O)=O)C(O)=O HMDB0000731 [0,1,0,0,0,1|2,0,0]=4 153 B10R0.93 NC(CC(=C)C(O)=O)C(O)=O HMDB0029433 [0,1,0,0,0,1|1,0,0]=3 154 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,1,0,0,0,1|0,0,2]=4 155 B10R0.93 N[C@@H](CC(O)C([O-])=O)C([O-])=O HMDB0002273 [0,1,0,0,0,1|1,0,1]=4 156 B10R0.93 OC(CC(=O)C(O)=O)C(O)=O HMDB0002070 [0,1,0,0,0,1|2,0,0]=4 157 B10R0.165 CC(C)(CC(O)=O)CC(O)=O HMDB0002441 [0,1,0,0,0,1|2,0,0]=4 158 B10R0.165 CC(O)(CC(O)=O)CC(O)=O HMDB0000355 [0,1,0,0,0,1|2,0,0]=4 159 B10R0.53 NCC(=O)NC(CO)C(O)=O HMDB0028850 [0,2,0,0,0,0|2,0,0]=4 160 B10R0.53 NCC(=O)NC(CS)C(O)=O HMDB0028838 [0,2,0,0,0,0|2,0,0]=4 161 B10R0.26 C/C=C\S(=O)CC(N)C(O)=O HMDB0029441 [0,2,0,0,0,0|2,0,0]=4 162 B10R0.26 CCCS(=O)CC(N)C(O)=O HMDB0029442 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|1,0,1]=4 166 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,1|2,0,0]=4 167 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [1,0,0,0,0,1|1,0,0]=3 168 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [1,0,0,0,0,1|0,0,0]=2 169 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [1,0,0,0,0,1|1,0,1]=4 170 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [1,0,0,0,0,1|1,0,0]=3 171 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [1,0,0,0,0,1|1,0,0]=3 172 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,0,0,0,0,2|2,0,0]=4 173 B10R0.96 OC(CCC(O)=O)CC(O)=O HMDB0000345 [0,0,0,0,0,2|2,0,0]=4 174 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,0,0,0,0,2|1,0,0]=3 175 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,2|1,0,0]=3 176 B10R0.98 NC(CCCC(O)=O)C(O)=O HMDB0000510 [0,0,0,0,0,2|1,0,0]=3 177 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,0,0,0,0,2|1,0,0]=3 178 B10R0.98 OC(CCCC(O)=O)C(O)=O HMDB0000321 [0,0,0,0,0,2|2,0,0]=4 179 B10R0.98 O[C@H](CCCC(O)=O)C(O)=O HMDB0000368 [0,0,0,0,0,2|2,0,0]=4