0 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|0,0,1]=2 25 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|0,1,1]=3 26 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.3 CNC(=O)NC HMDB0029198 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 COC(=O)OC HMDB0029580 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.3 COC(C)OC HMDB0030061 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,0,0,0,0,0|0,0,0]=1 31 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.5 OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,1,0,0,0,0|0,0,2]=3 43 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|0,0,2]=3 48 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.4 NC1CCSC1=O HMDB0002287 [0,0,0,1,0,0|1,1,1]=4 54 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,0,0,0,0,1|1,0,2]=4 55 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,0,0,0,0,1|1,0,2]=4 56 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,0,0,0,0,1|1,0,0]=2 57 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,0,0,0,0,1|0,0,2]=3 58 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,0,0,0,0,1|1,0,1]=3 59 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,0,0,0,0,1|1,0,1]=3 60 B4R0.1 CC(=C)C=C HMDB0032344 [2,0,0,0,0,0|0,0,1]=3 61 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,0,2]=4 67 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,1]=3 68 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|0,0,0]=2 69 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|0,1,0]=3 70 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 NC(=O)C=C HMDB0004296 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 NC(=O)C=C HMDB0032161 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 OC(=O)C#C HMDB0006804 [2,0,0,0,0,0|0,0,2]=4 76 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,0]=2 77 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.2 C/C=C/SO HMDB0031636 [2,0,0,0,0,0|1,1,0]=4 81 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|0,1,1]=4 82 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|0,1,1]=4 83 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|0,1,1]=4 85 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.8 COP(N)(=O)SC HMDB0031803 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [1,1,0,0,0,0|0,0,2]=4 91 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,1,0,0,0,1|1,0,0]=3 92 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,1,0,0,0,1|1,0,0]=3 93 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,1,0,0,0,1|0,0,2]=4 94 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,1,0,0,0,1|1,0,1]=4 95 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,1,0,0,0,1|2,0,0]=4 96 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,1,0,0,0,1|0,0,2]=4 97 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|0,0,0]=2 98 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,0,2]=4 100 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,2,0,0,0,0|0,0,0]=2 101 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|0,0,2]=4 102 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [0,2,0,0,0,0|0,0,2]=4 105 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,0,0,1,0,1|2,0,0]=4 107 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,0,0,1,0,1|2,0,0]=4 108 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [0,0,0,1,0,1|1,1,0]=4 109 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,1|1,0,1]=4 110 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,0,0,1,0,1|2,0,0]=4 111 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,0,0,1,0,1|2,0,0]=4 112 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,0,0,1,0,1|2,0,0]=4 113 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [0,0,0,1,0,1|2,0,0]=4 114 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [0,1,0,1,0,0|1,1,0]=4 116 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,0,1]=4 120 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,0,0,0,2|2,0,0]=4 121 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,0,0,0,0,2|0,0,2]=4