0 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCCCCC=O HMDB0005994 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 CCCCN=C=S HMDB0031328 [0,0,0,0,0,0|2,1,1]=4 9 B6R0.6 CCCCON=O HMDB0031329 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 CCCSSSC HMDB0031871 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 CNCCCCN HMDB0003661 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 CSCSCSC HMDB0032547 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 NCCCCC=O HMDB0012815 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 NCCCCCN HMDB0002322 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 NCCNCCN HMDB0031413 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.6 O=CCCCC=O HMDB0029599 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 OCCSCCO HMDB0042033 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|0,0,2]=3 20 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,1,0]=2 24 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|0,0,0]=1 29 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.2 CSCSSC HMDB0031875 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.1 CCCCCCCC HMDB0001485 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.1 CCCCCCCO HMDB0031479 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.1 CCCCCCCS HMDB0032304 [0,1,0,0,0,0|1,1,0]=3 40 B7R0.1 CCCCCCOC HMDB0032407 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.1 CCCCCSSC HMDB0031161 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.1 CCCCOCCO HMDB0031327 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.1 CCCCSSCC HMDB0032180 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.1 CCCSSCCC HMDB0031472 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.1 SCCCCCCS HMDB0031709 [0,1,0,0,0,0|1,1,0]=3 46 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|1,1,1]=4 48 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.4 CSSCCC(C)C HMDB0032408 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.24 C1SCSSCS1 HMDB0031719 [0,0,0,1,0,0|2,1,0]=4 72 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,2]=4 73 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,0]=2 74 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,0]=2 76 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,0,0]=2 77 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 78 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|0,0,2]=4 81 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|0,0,2]=4 82 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|0,0,0]=2 83 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.2 CSSSC HMDB0013780 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.2 CS[Se]SC HMDB0030876 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.2 NCCCN HMDB0000002 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 88 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|0,1,1]=4 89 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|0,1,0]=3 90 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,1,1]=4 92 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,0,1]=3 93 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,0,2]=4 94 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|0,0,2]=4 99 B6R0.4 CC(C)CCC=O HMDB0001318 [1,1,0,0,0,0|0,0,2]=4 100 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,0,1]=3 102 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,1]=3 105 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|0,0,1]=3 106 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,1,1]=4 108 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,2,0,0,0,0|1,0,1]=4 111 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.4 CCCCCCCC=C HMDB0031270 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.4 CCCCCCCC=O HMDB0001140 [0,2,0,0,0,0|1,0,1]=4 115 B8R0.4 CCCCCCCCC HMDB0029595 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.4 CCCCCCCCO HMDB0001183 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.4 CCCCSCCCC HMDB0031660 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.4 NCCCNCCCN HMDB0011634 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,2,0,0,0,0|1,0,0]=3 121 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,2,0,0,0,0|1,0,0]=3 122 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|0,0,1]=3 123 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,2,0,0,0,0|1,0,1]=4 125 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,2,0,0,0,0|1,0,1]=4 126 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,2,0,0,0,0|1,0,1]=4 127 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|1,0,0]=3 130 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,2,0,0,0,0|1,0,0]=3 131 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,2,0,0,0,0|1,0,1]=4 132 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,2,0,0,0,0|0,0,2]=4 133 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,2,0,0,0,0|1,0,1]=4 135 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|0,0,2]=4 140 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|0,0,1]=3 141 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,2,0,0,0,0|0,1,1]=4 142 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.19 OCC(O)CC(O)CO HMDB0031201 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,2,0,0,0,0|1,0,1]=4 149 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,2,0,0,0,0|1,0,1]=4 153 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,0]=3 154 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,0]=3 155 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|1,0,0]=3 156 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,1,0,0|0,1,0]=3 157 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,0]=3 159 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,1,0,0|1,1,0]=4 160 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,2]=4 161 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,1,1]=4 162 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,0,2]=4 163 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|0,0,2]=4 164 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.36 N#CCCCC1CS1 HMDB0031337 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,1,0,1,0,0|1,1,0]=4 170 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,1,0,1,0,0|1,0,1]=4