0 B6R0.6 C/C=C/CCC=O HMDB0040271 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 C/C=C\CCC=O HMDB0033549 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.6 CC/C=C\CC=O HMDB0031498 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.6 CCC/C=C\C=O HMDB0040264 [0,0,0,0,0,0|0,0,4]=4 7 B6R0.6 CCC=CCC=O HMDB0031497 [0,0,0,0,0,0|0,0,4]=4 8 B6R0.6 CCCC=CC=O HMDB0031496 [0,0,0,0,0,0|0,0,4]=4 9 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.6 CCCCCCS HMDB0039806 [0,0,0,0,0,0|0,1,0]=1 13 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|1,1,0]=2 14 B6R0.6 CCCCN=C=S HMDB0031328 [0,0,0,0,0,0|1,1,1]=3 15 B6R0.6 CCCCOC=O HMDB0040575 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.6 CCCCON=O HMDB0031329 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 CCCS/C=C/C HMDB0040244 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.6 CCCSSCC HMDB0033053 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 CCCSSSC HMDB0031871 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.6 CCSSCSC HMDB0033047 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.6 CCSSSCC HMDB0039524 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.6 CSCCCC=O HMDB0037474 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.6 CSCCCCO HMDB0041562 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.6 CSCCN=C=S HMDB0038442 [0,0,0,0,0,0|2,1,1]=4 26 B6R0.6 CSCSCSC HMDB0032547 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.6 NCCNCCN HMDB0031413 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 O=CCCCC=O HMDB0029599 [0,0,0,0,0,0|1,0,3]=4 29 B5R0.2 CC/C=C/SC HMDB0038892 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.2 CCCCC#N HMDB0040173 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,2]=3 33 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|0,0,0]=1 34 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,1,0]=2 35 B5R0.2 CCCOC=O HMDB0040253 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCSSSC HMDB0038891 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CSCSSC HMDB0031875 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [0,1,0,0,0,0|0,0,3]=4 45 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,1,0,0,0,0|0,0,3]=4 46 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,1,0,0,0,0|0,0,3]=4 47 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,1,0,0,0,0|0,0,1]=2 48 B7R0.1 CCCC/C=C/C=C HMDB0040966 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.1 CCCC/C=C/C=O HMDB0033827 [0,1,0,0,0,0|0,0,3]=4 50 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,0,0,0,0|0,0,1]=2 52 B7R0.1 CCCCCCCO HMDB0031479 [0,1,0,0,0,0|0,0,0]=1 53 B7R0.1 CCCCCCCS HMDB0032304 [0,1,0,0,0,0|0,1,0]=2 54 B7R0.1 CCCCCCOC HMDB0032407 [0,1,0,0,0,0|0,0,0]=1 55 B7R0.1 CCCCCN=C=S HMDB0038433 [0,1,0,0,0,0|0,1,1]=3 56 B7R0.1 CCCCCOC=O HMDB0040327 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.1 CCCCCSSC HMDB0031161 [0,1,0,0,0,0|1,1,0]=3 58 B7R0.1 CCCCOCCO HMDB0031327 [0,1,0,0,0,0|0,0,0]=1 59 B7R0.1 CCCCSSCC HMDB0032180 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.1 CCCSSCC=C HMDB0033912 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.1 CCCSSCCC HMDB0031472 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.1 CCSCSSCC HMDB0033056 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.1 CSCCCN=C=S HMDB0034370 [0,1,0,0,0,0|1,1,1]=4 64 B7R0.1 SCCCCCCS HMDB0031709 [0,1,0,0,0,0|0,1,0]=2 65 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,1,0,0,0,0|0,0,2]=3 68 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.3 CCCCC(O)CC HMDB0031481 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 CCCSC(S)CC HMDB0040056 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,1,0,0,0,0|0,0,3]=4 73 B7R0.4 CC(C)CCN=C=S HMDB0032341 [0,1,0,0,0,0|1,1,1]=4 74 B7R0.4 CC(C)CCOC=O HMDB0034163 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,0,0,0,0|0,0,2]=3 77 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,1,0,0,0,0|0,0,3]=4 78 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,0,0,0,0|0,0,3]=4 79 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|0,1,0]=2 81 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|0,0,1]=2 82 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.4 CSSCCC(C)C HMDB0032408 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.7 CCCC(S)CCO HMDB0040152 [0,1,0,0,0,0|0,0,0]=1 90 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.7 CCOC(C)OCC HMDB0031644 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 OCC1CCCO1 HMDB0031175 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.3 CC1OCCCS1 HMDB0039826 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.3 CC1SCCSS1 HMDB0037290 [0,0,0,1,0,0|2,1,0]=4 99 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.4 CC1CCOC1=O HMDB0035143 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.4 CC1OCCC1=O HMDB0031178 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.4 CC1OCCC1O HMDB0039799 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.4 CC1OCCC1S HMDB0036138 [0,0,0,1,0,0|1,1,0]=3 104 B7R1.4 CC1SCCC1=O HMDB0038556 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.4 CC1SCCC1O HMDB0035244 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.4 CC1SCCC1S HMDB0039790 [0,0,0,1,0,0|1,1,0]=3 107 B7R1.7 N#CCCC1CS1 HMDB0038460 [0,0,0,1,0,0|1,1,1]=4 108 B4R0.2 C/C=C\CO HMDB0033858 [2,0,0,0,0,0|0,0,2]=4 109 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,0]=2 110 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,0]=3 112 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.2 CCSSC HMDB0032912 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 118 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,1,0]=4 119 B6R0.1 CCC(=O)CSC HMDB0037193 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.1 CCC(C)CCO HMDB0033676 [1,1,0,0,0,0|0,0,0]=2 121 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,0,2]=4 124 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|0,0,0]=2 126 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,0,1]=3 129 B6R0.4 CCCOC(C)=O HMDB0034237 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.4 CCCSC(C)=O HMDB0033856 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.4 CCSSC(C)C HMDB0033054 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 CSCCC(C)O HMDB0041476 [1,1,0,0,0,0|1,0,0]=3 135 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.1 CCCSS(=O)CCC HMDB0034394 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.4 CC/C=C/C/C=C\CO HMDB0040146 [0,2,0,0,0,0|0,0,2]=4 142 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [0,2,0,0,0,0|0,0,2]=4 143 B8R0.4 CC/C=C/CCCC=O HMDB0039770 [0,2,0,0,0,0|0,0,2]=4 144 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,2,0,0,0,0|0,0,0]=2 145 B8R0.4 CC/C=C\CCOC=O HMDB0040214 [0,2,0,0,0,0|0,0,2]=4 146 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [0,2,0,0,0,0|0,0,2]=4 147 B8R0.4 CCC/C=C/COC=O HMDB0038271 [0,2,0,0,0,0|0,0,2]=4 148 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,2,0,0,0,0|0,0,0]=2 149 B8R0.4 CCCC/C=C\CCO HMDB0035231 [0,2,0,0,0,0|0,0,0]=2 150 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,2,0,0,0,0|0,0,2]=4 151 B8R0.4 CCCCC/C=C\CO HMDB0031296 [0,2,0,0,0,0|0,0,0]=2 152 B8R0.4 CCCCCCCC=C HMDB0031270 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.4 CCCCCCCCC HMDB0029595 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.4 CCCCCCCCO HMDB0001183 [0,2,0,0,0,0|0,0,0]=2 155 B8R0.4 CCCCCCN=C=S HMDB0038432 [0,2,0,0,0,0|0,1,0]=3 156 B8R0.4 CCCCCCOC=O HMDB0032874 [0,2,0,0,0,0|0,0,0]=2 157 B8R0.4 CCCCSCCCC HMDB0031660 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.4 CCCCSSCCC HMDB0033051 [0,2,0,0,0,0|1,0,0]=3 159 B8R0.4 CCCSSSCCC HMDB0032825 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.4 CSCCCCN=C=S HMDB0033764 [0,2,0,0,0,0|0,1,1]=4 161 B8R0.4 CSCCCCSC#N HMDB0038446 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [0,2,0,0,0,0|0,0,2]=4 163 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|0,0,2]=4 164 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|1,0,0]=3 165 B8R0.6 CCCCCC(=O)OC HMDB0035238 [0,2,0,0,0,0|0,0,1]=3 166 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,2,0,0,0,0|0,0,2]=4 167 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,2,0,0,0,0|0,0,0]=2 168 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,2,0,0,0,0|0,0,0]=2 169 B8R0.6 CCCCCC(S)SC HMDB0039783 [0,2,0,0,0,0|0,1,0]=3 170 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.6 CCCCOC(C)OC HMDB0037636 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.7 CC(C)CCCN=C=S HMDB0038435 [0,2,0,0,0,0|0,1,1]=4 174 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,2,0,0,0,0|0,0,1]=3 175 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,2,0,0,0,0|0,0,2]=4 176 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,2,0,0,0,0|0,0,1]=3 177 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,2,0,0,0,0|0,0,1]=3 179 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,2,0,0,0,0|1,0,0]=3 180 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,2,0,0,0,0|0,0,0]=2 181 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|0,0,0]=2 182 B8R0.7 CCCCCOC(C)=O HMDB0039095 [0,2,0,0,0,0|0,0,2]=4 183 B8R0.7 CCCCSSC(C)C HMDB0033050 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.7 NCCCCNC(O)=N HMDB0033458 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,2,0,0,0,0|0,0,2]=4 186 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.3 OCCC(O)C(O)CO HMDB0033919 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|0,0,1]=3 191 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,2,0,0,0,0|0,0,0]=2 198 B8R0.11 CCCCC(CC)CS HMDB0041477 [0,2,0,0,0,0|0,1,0]=3 199 B8R0.19 CCC(C)CC(C)CO HMDB0037791 [0,2,0,0,0,0|0,0,0]=2 200 B8R0.19 CCC(S)SC(S)CC HMDB0040235 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.19 OCC(O)CC(O)CO HMDB0031201 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|0,0,0]=2 203 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,2,0,0,0,0|0,0,1]=3 205 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,2,0,0,0,0|0,0,2]=4 206 B8R0.22 CCCC(CC=O)SC HMDB0040186 [0,2,0,0,0,0|0,0,2]=4 207 B8R0.22 CCCC(CCO)SC HMDB0040153 [0,2,0,0,0,0|0,0,0]=2 208 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|0,0,0]=2 209 B6R1.1 C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,0]=3 211 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|1,1,0]=4 212 B6R1.1 C1CSCSC1 HMDB0031473 [1,0,0,1,0,0|1,1,0]=4 213 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|0,0,2]=4 214 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|0,0,0]=2 215 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,1,0,0|1,1,0]=4 216 B6R1.2 CC1SCCS1 HMDB0036179 [1,0,0,1,0,0|1,1,0]=4 217 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,2]=4 218 B6R1.2 SC1CCCC1 HMDB0039771 [1,0,0,1,0,0|0,1,0]=3 219 B6R1.2 SC1CCCS1 HMDB0040250 [1,0,0,1,0,0|1,1,0]=4 220 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|0,0,1]=3 222 B8R1.8 CCCC1NCCS1 HMDB0040058 [0,1,0,1,0,0|0,1,0]=3 223 B8R1.11 CCC1SCCC1=O HMDB0040238 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.36 N#CCCCC1CS1 HMDB0031337 [0,1,0,1,0,0|0,1,1]=4 225 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.3 OC1CSC(O)CS1 HMDB0033670 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.50 O[C@@H]1COC(O)[C@@H]1O HMDB0002649 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|0,0,0]=2 231 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,1,0,1,0,0|0,1,0]=3 232 B8R1.7 CC(=O)C1CCCN1 HMDB0037293 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,1,0,1,0,0|1,1,0]=4