0 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 CCCCC(C)=O HMDB0005842 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.4 CCCCC(O)=O HMDB0000892 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.4 CCNCC(O)=O HMDB0041945 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 CCOCC(O)=O HMDB0031212 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CSCCC(C)=O HMDB0031316 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CSCCC(O)=O HMDB0001527 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 NCCCC(O)=O HMDB0000112 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 OCCCC(O)=O HMDB0000710 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,2]=3 18 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|0,0,0]=1 27 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|0,1,0]=2 30 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 C=CCCC=O HMDB0032458 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|1,1,1]=4 44 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|1,1,0]=3 45 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|1,1,1]=4 47 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 CSCSSC HMDB0031875 [1,0,0,0,0,0|2,1,0]=4 51 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|1,1,1]=4 74 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.8 NCCOP(O)(O)=O HMDB0000224 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,0|0,0,0]=1 107 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,0|0,0,2]=3 108 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|3,0,0]=4 115 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,0]=2 121 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,0,2]=4 123 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|0,0,0]=2 124 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|0,1,0]=3 125 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,0]=2 129 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 130 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,2]=4 132 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,1]=4 133 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|0,1,1]=4 134 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|0,0,0]=2 136 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|0,1,1]=4 138 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,1,0]=4 141 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|1,1,0]=4 142 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|0,0,2]=4 145 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|0,0,1]=3 149 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|0,0,0]=2 150 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,0]=2 151 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,0,0]=2 152 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,0,1]=3 153 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|0,0,0]=2 155 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|0,0,1]=3 159 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,1,0,0,0,0|0,0,1]=3 160 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|0,0,1]=3 161 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,1,0,0,0,0|0,0,1]=3 163 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|0,0,0]=2 165 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|0,0,0]=2 170 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 CC(CN)C(O)=O HMDB0003911 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|0,0,1]=3 176 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 OC(CS)C(O)=O HMDB0002127 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.5 CCOP(O)(O)=O HMDB0012228 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.6 CCC=CCC=O HMDB0031497 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.6 CCCC=CC=O HMDB0031496 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.6 CCCCCC=O HMDB0005994 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.6 CCCCCCC HMDB0031447 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.6 CCCCCCN HMDB0032323 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.6 CCCCCCO HMDB0012971 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.6 CCCCON=O HMDB0031329 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.6 CCCSCCC HMDB0031431 [1,1,0,0,0,0|0,1,1]=4 211 B6R0.6 CCCSSSC HMDB0031871 [1,1,0,0,0,0|1,1,0]=4 212 B6R0.6 CNCCCCN HMDB0003661 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.6 NCCCCC=O HMDB0012815 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.6 O=CCCCC=O HMDB0029599 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|0,0,0]=2 222 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,2,0,0,0,0|2,0,0]=4 227 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.1 C/C=C\C(=O)OCC=C HMDB0032067 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,2,0,0,0,0|0,0,0]=2 250 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,2,0,0,0,0|0,0,0]=2 260 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,2,0,0,0,0|0,0,0]=2 270 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,2,0,0,0,0|0,0,2]=4 271 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,2,0,0,0,0|0,0,0]=2 275 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,2,0,0,0,0|0,0,0]=2 282 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,2,0,0,0,0|0,0,0]=2 285 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,2,0,0,0,0|0,0,1]=3 287 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,2,0,0,0,0|0,1,1]=4 288 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,2,0,0,0,0|0,0,0]=2 291 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,2,0,0,0,0|2,0,0]=4 294 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,1,0,0|1,1,0]=4 295 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,0]=2 297 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,0,0]=2 299 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,1,0]=3 300 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|0,0,2]=4 303 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|0,0,0]=2 309 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [0,1,0,1,0,0|2,0,0]=4