0 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CCCCCCC=C HMDB0032449 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.1 CCCCCCC=O HMDB0031475 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.1 CCCCCCCC HMDB0001485 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.1 CCCCCCCO HMDB0031479 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.1 CCCCCCCS HMDB0032304 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.1 CCCCCCOC HMDB0032407 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.1 CCCCCSSC HMDB0031161 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 CCCCOCCO HMDB0031327 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 CCCCSSCC HMDB0032180 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CCCSSCCC HMDB0031472 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 SCCCCCCS HMDB0031709 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 CCCCCC=O HMDB0005994 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|0,0,1]=2 21 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.6 CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 CNCCCCN HMDB0003661 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 NCCCCC=O HMDB0012815 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 NCCCCCN HMDB0002322 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 NCCNCCN HMDB0031413 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 O=CCCCC=O HMDB0029599 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 OCCSCCO HMDB0042033 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,1,0,0,0,0|0,0,3]=4 35 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.4 C(=O)C=CCCCCC HMDB0013809 [0,1,0,0,0,0|0,0,1]=2 38 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [0,1,0,0,0,0|0,0,3]=4 40 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,1,0,0,0,0|0,0,1]=2 42 B8R0.4 CCCCCCCC=C HMDB0031270 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.4 CCCCCCCC=O HMDB0001140 [0,1,0,0,0,0|0,0,1]=2 44 B8R0.4 CCCCCCCCC HMDB0029595 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.4 CCCCCCCCO HMDB0001183 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.4 CCCCSCCCC HMDB0031660 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.4 NCCCNCCCN HMDB0011634 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,1,0,0,0,0|0,0,3]=4 49 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,0,0,0,0|0,0,1]=2 51 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|0,0,3]=4 52 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.6 CSC(C)SSCC=C HMDB0032115 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|0,0,1]=2 62 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,0,0,0,0|0,0,2]=3 63 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.7 NCCCCNC(N)=N HMDB0001432 [0,1,0,0,0,0|3,0,0]=4 69 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.36 N#CCCCC1CS1 HMDB0031337 [0,0,0,1,0,0|2,0,1]=4 76 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,0]=2 79 B5R0.2 CCCCCO HMDB0013036 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.2 CSCCSC HMDB0031708 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.2 C[Se]SCC=C HMDB0030877 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.2 NCCCC=O HMDB0001080 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.2 NCCCCN HMDB0001414 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|0,0,2]=4 92 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.4 CC(O)CCCCO HMDB0031490 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|0,0,1]=3 97 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|0,0,1]=3 98 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.4 CCCNCC(C)C HMDB0031244 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,1,0,0,0,0|0,0,2]=4 105 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.7 CCSC(C)CCO HMDB0032277 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.4 NCCC[C@H](N)CC(O)=O HMDB0012114 [0,2,0,0,0,0|2,0,0]=4 108 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,2,0,0,0,0|0,0,1]=3 112 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,2,0,0,0,0|0,0,1]=3 113 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,2,0,0,0,0|0,0,2]=4 114 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.40 CCCCC(CC=O)SC HMDB0032426 [0,2,0,0,0,0|1,0,0]=3 116 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,2,0,0,0,0|1,0,1]=4 117 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,2,0,0,0,0|1,0,1]=4 118 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,2,0,0,0,0|1,0,1]=4 119 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,2,0,0,0,0|1,0,1]=4 120 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,2,0,0,0,0|0,0,1]=3 121 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,2,0,0,0,0|0,0,1]=3 122 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,2,0,0,0,0|0,0,1]=3 123 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,2,0,0,0,0|0,0,1]=3 125 B9R0.2 CCCCCCC[N+](O)=O HMDB0013811 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,2,0,0,0,0|0,0,1]=3 127 B9R0.2 NCCCCCNC(N)=N HMDB0031505 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.45 CC/C=C\CC/C=C\CO HMDB0031262 [0,2,0,0,0,0|0,0,2]=4 130 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [0,2,0,0,0,0|1,0,0]=3 131 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [0,2,0,0,0,0|1,0,0]=3 132 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [0,2,0,0,0,0|0,0,2]=4 133 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [0,2,0,0,0,0|1,0,0]=3 134 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [0,2,0,0,0,0|0,0,2]=4 135 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [0,2,0,0,0,0|0,0,2]=4 137 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [0,2,0,0,0,0|0,0,0]=2 138 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [0,2,0,0,0,0|0,0,0]=2 139 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [0,2,0,0,0,0|0,0,0]=2 140 B9R0.45 CCCCCCCCCC HMDB0031450 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.45 CCCCCCCCCO HMDB0031265 [0,2,0,0,0,0|0,0,2]=4 142 B9R0.45 CCCCSSCCCC HMDB0029569 [0,2,0,0,0,0|0,0,2]=4 143 B9R0.45 CSCCCCCCC#N HMDB0031890 [0,2,0,0,0,0|0,0,2]=4 144 B9R0.45 CSCCCCCN=C=S HMDB0031577 [0,2,0,0,0,0|1,0,1]=4 145 B9R0.45 NCCCCNCCCN HMDB0001257 [0,2,0,0,0,0|1,0,1]=4 146 B9R0.45 NCCCNCCCC=O HMDB0012135 [0,2,0,0,0,0|1,0,0]=3 147 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,2,0,0,0,0|0,0,1]=3 148 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,2,0,0,0,0|0,0,1]=3 149 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,2,0,0,0,0|0,0,1]=3 150 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,2,0,0,0,0|0,0,0]=2 151 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,2,0,0,0,0|0,0,2]=4 152 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,2,0,0,0,0|0,0,2]=4 155 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,2,0,0,0,0|1,0,0]=3 156 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,2,0,0,0,0|0,0,1]=3 157 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,2,0,0,0,0|1,0,0]=3 160 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,1,0,0|0,0,2]=4 161 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,1,0,0|0,0,2]=4 162 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|1,0,0]=3 163 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.3 O=C1CCCCC1 HMDB0003315 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.3 O=C1CCCCN1 HMDB0011749 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,1,0,1,0,0|0,0,2]=4 168 B9R1.8 O=COC1CCCCC1 HMDB0031351 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,1,0,1,0,0|0,0,2]=4 170 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,1,0,1,0,0|2,0,0]=4