0 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|0,0,0]=1 19 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,0,0,0,0|0,0,0]=1 24 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|0,0,2]=3 25 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|0,1,1]=3 26 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,0|0,0,2]=3 37 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,0|0,0,2]=3 41 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|0,0,2]=3 44 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,0,0|0,0,2]=3 45 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,0,0|0,0,2]=3 46 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.9 C[N+](C)(C)CC([O-])=O HMDB0000043 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|0,0,1]=2 53 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|0,0,0]=1 58 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,0|2,0,0]=3 60 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,1,0|0,0,1]=2 61 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,1,0|1,0,0]=2 62 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,0,0,0,1,0|2,0,0]=3 63 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,1,0|1,0,1]=3 64 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,1,0|2,0,1]=4 65 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,1,0|2,0,1]=4 66 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,1,0|2,0,1]=4 67 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,1,0|2,0,1]=4 68 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 OC(=O)C(O)=O HMDB0002329 [0,0,0,0,1,0|3,0,0]=4 70 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,1|0,0,2]=3 71 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,1|2,0,1]=4 72 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,1|2,0,1]=4 73 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,1|0,0,1]=2 74 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,1|1,0,1]=3 75 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,1|0,0,2]=3 76 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,1|1,0,2]=4 77 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,1|0,0,2]=3 78 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,0,0,0,1|3,0,0]=4 79 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,0,0,0,1|3,0,0]=4 80 B4R0.1 CC(=C)C=C HMDB0032344 [2,0,0,0,0,0|0,0,1]=3 81 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,0]=3 82 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,0,1]=3 87 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,1]=3 88 B4R0.1 CN(C)N=O HMDB0031419 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 NC(=O)C=C HMDB0004296 [2,0,0,0,0,0|1,0,0]=3 94 B4R0.1 NC(=O)C=C HMDB0032161 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 C/C=C/SO HMDB0031636 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,2]=4 99 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|0,0,1]=3 103 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|0,0,2]=4 104 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,2]=4 105 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,0,2]=4 106 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|0,0,1]=3 113 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,1,0,0,0,0|0,0,2]=4 114 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,1,0,0,0,0|0,0,1]=3 118 B6R0.4 CC(C)CCC=O HMDB0001318 [1,1,0,0,0,0|0,0,2]=4 119 B6R0.4 CC(C)COC=O HMDB0031247 [1,1,0,0,0,0|0,0,2]=4 120 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,2]=4 122 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,2]=4 123 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.5 C[N+](C)(C)CC=O HMDB0001252 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,1,0,0,1,0|1,0,1]=4 126 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,1,0,0,1,0|1,0,1]=4 127 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,1|0,0,1]=3 128 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,0,0,0,1|1,0,1]=4 129 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,1,0,0,0,1|2,0,0]=4 130 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,1|0,0,2]=4 131 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,1|1,0,1]=4 132 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,1|0,0,1]=3 133 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,1|1,0,1]=4 134 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|1,0,1]=4 135 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,2,0,0,0,0|1,0,1]=4 136 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,2,0,0,0,0|0,0,2]=4 140 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|1,0,1]=4 141 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,2,0,0,0,0|0,0,2]=4 142 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|0,0,2]=4 143 B6R1.2 CC1=CC=CO1 HMDB0013749 [1,0,0,1,0,0|0,0,2]=4 144 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|0,0,1]=3 145 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,2]=4 146 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,1]=4 147 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.2 O=C1CN=CN1 HMDB0004363 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,0,0,1,0,1|1,0,1]=4 154 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,1|0,0,2]=4 155 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|0,0,0]=2 157 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,1,0,1,0,0|0,0,1]=3 161 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.18 CN1CC(=O)NC1=N HMDB0000562 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|0,0,1]=3 166 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,0,0,0,0,2|0,0,2]=4 167 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,0,0,0,2|1,0,1]=4 168 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,2|0,0,0]=2 169 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,2|0,0,0]=2 170 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,2|0,0,0]=2 171 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,2|0,0,0]=2 172 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,0,0,0,2|0,0,1]=3 173 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,2|0,0,2]=4 174 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,0,0,0,0,2|0,0,2]=4