0 B6R0.6 C/C=C/C=C\C=O HMDB0034729 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.6 C/C=C/CCC=O HMDB0040271 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.6 C/C=C/S/C=C/C HMDB0040234 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C/C=C\CCC=O HMDB0033549 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,0,0,0,0|0,0,4]=4 5 B6R0.6 CC/C=C\CC=O HMDB0031498 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCC/C=C\C=O HMDB0040264 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.6 CCC=CCC=O HMDB0031497 [0,0,0,0,0,0|0,0,0]=0 10 B6R0.6 CCCC=CC=O HMDB0031496 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|0,0,4]=4 14 B6R0.6 CCCCCCS HMDB0039806 [0,0,0,0,0,0|0,1,3]=4 15 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|1,1,2]=4 16 B6R0.6 CCCCOC=O HMDB0040575 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.6 CCCCON=O HMDB0031329 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 CCCS/C=C/C HMDB0040244 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 CCCSSCC HMDB0033053 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 CCSSCSC HMDB0033047 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.6 CSCCCC=O HMDB0037474 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.6 CSSSCC=C HMDB0034416 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.6 O=CCCCC=O HMDB0029599 [0,0,0,0,0,0|1,0,3]=4 25 B5R0.2 C=C/C=C\C=O HMDB0031597 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.2 C=CCCC=O HMDB0032458 [1,0,0,0,0,0|0,0,2]=3 27 B5R0.2 CC/C=C/SC HMDB0038892 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,0,0,0,0|0,0,0]=1 29 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|0,0,1]=2 30 B5R0.2 CCCCC#N HMDB0040173 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,1]=2 32 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|0,0,3]=4 33 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,1,2]=4 34 B5R0.2 CCCOC=O HMDB0040253 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CCSSC=C HMDB0033052 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 CSS/C=C\C HMDB0041391 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 CSSCC=C HMDB0041389 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 C[Se]SCC=C HMDB0030877 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.1 C/C=C\SSCC=C HMDB0041393 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [0,1,0,0,0,0|0,0,2]=3 46 B7R0.1 CC/C=C\CCC=O HMDB0031483 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,1,0,0,0,0|0,0,2]=3 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|0,0,2]=3 50 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.1 CCCCCOC=O HMDB0040327 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.1 CCCSSCC=C HMDB0033912 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [0,1,0,0,0,0|0,0,3]=4 55 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [0,1,0,0,0,0|0,0,1]=2 56 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.3 CCC(=O)SCC=C HMDB0037493 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,1,0,0,0,0|0,0,3]=4 64 B7R0.4 CC(C)=CCOC=O HMDB0032490 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.4 CC(C)CCOC=O HMDB0034163 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [0,1,0,0,0,0|0,0,0]=1 67 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,0,0,0,0|0,0,2]=3 68 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,1,0,0,0,0|0,0,0]=1 69 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,1,0,0,0,0|0,0,2]=3 70 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.4 CSS/C=C/C(C)C HMDB0038890 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|0,0,2]=3 78 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.7 CCOC(=O)CCS HMDB0040410 [0,1,0,0,0,0|1,1,1]=4 80 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.1 CCC1=CC=CO1 HMDB0040587 [0,0,0,1,0,0|0,0,2]=3 82 B7R1.1 CCC1=CC=CS1 HMDB0035384 [0,0,0,1,0,0|0,1,1]=3 83 B7R1.1 CCC1=COC=C1 HMDB0040588 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 CCC1=CSC=C1 HMDB0035385 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.1 CCC1=NC=CS1 HMDB0040036 [0,0,0,1,0,0|1,1,1]=4 86 B7R1.1 CSC1=CSC=C1 HMDB0032939 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.1 O=CC1=CC=CN1 HMDB0036057 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.1 O=CN1CCCC1 HMDB0034587 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.1 OCC1=CC=CO1 HMDB0013742 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.1 OCC1=CC=CS1 HMDB0032993 [0,0,0,1,0,0|1,1,1]=4 93 B7R1.1 OCC1=CSC=C1 HMDB0041504 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.1 SCC1=CC=CO1 HMDB0032915 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.1 SCC1=CC=CS1 HMDB0031853 [0,0,0,1,0,0|1,1,1]=4 96 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,0,0,1,0,0|1,0,1]=3 98 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.3 O=C1CCC=CO1 HMDB0040145 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.4 CC1=C(C)C=CS1 HMDB0032977 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|0,0,2]=3 102 B7R1.4 CC1CCOC1=O HMDB0035143 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.4 CC1OCCC1=O HMDB0031178 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.4 CC1SCCC1=O HMDB0038556 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.4 SC1COCC1=O HMDB0039786 [0,0,0,1,0,0|2,0,1]=4 106 B4R0.2 C/C=C/SO HMDB0031636 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.2 C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,0]=2 108 B4R0.2 C/C=C\CO HMDB0033858 [2,0,0,0,0,0|0,0,1]=3 109 B4R0.2 C=CCC#N HMDB0031323 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.2 C=CSC=C HMDB0033922 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.2 CCC=S=O HMDB0040346 [2,0,0,0,0,0|1,0,0]=3 112 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,2]=4 113 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,1]=4 115 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 CCSSC HMDB0032912 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 124 B6R0.1 C/C=N\N(C)C=O HMDB0033952 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.1 CC(CC=C)C=O HMDB0030332 [1,1,0,0,0,0|0,0,2]=4 126 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|0,0,0]=2 127 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.1 CCC(=O)CSC HMDB0037193 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,0,1]=3 130 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.1 CCOC(=O)C=C HMDB0033978 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.1 CSC(C)CC=O HMDB0041491 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 C/C=C\SS(C)=O HMDB0032747 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,1,0,0,0,0|0,0,0]=2 137 B6R0.4 CC(C)COC=O HMDB0031247 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,0,1]=3 140 B6R0.4 CCCOC(C)=O HMDB0034237 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 CCCSC(C)=O HMDB0033856 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.1 C/C=C\C(=O)OCC=C HMDB0032067 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,2,0,0,0,0|1,0,1]=4 149 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.4 C/C=C/CC/C=C/C=O HMDB0039844 [0,2,0,0,0,0|0,0,2]=4 151 B8R0.4 C/C=C\CCCCC=O HMDB0039769 [0,2,0,0,0,0|0,0,2]=4 152 B8R0.4 CC/C=C/C/C=C\CO HMDB0040146 [0,2,0,0,0,0|0,0,1]=3 153 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [0,2,0,0,0,0|0,0,2]=4 154 B8R0.4 CC/C=C/CCCC=O HMDB0039770 [0,2,0,0,0,0|0,0,0]=2 155 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,2,0,0,0,0|0,0,2]=4 156 B8R0.4 CC/C=C\CCOC=O HMDB0040214 [0,2,0,0,0,0|0,0,0]=2 157 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [0,2,0,0,0,0|0,0,1]=3 158 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [0,2,0,0,0,0|0,0,2]=4 159 B8R0.4 CCC/C=C/COC=O HMDB0038271 [0,2,0,0,0,0|0,0,0]=2 160 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,2,0,0,0,0|0,0,2]=4 161 B8R0.4 CCCC/C=C\CCO HMDB0035231 [0,2,0,0,0,0|0,0,2]=4 162 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [0,2,0,0,0,0|0,0,2]=4 163 B8R0.4 CCCCCCOC=O HMDB0032874 [0,2,0,0,0,0|0,0,2]=4 164 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,2,0,0,0,0|0,0,0]=2 165 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,2,0,0,0,0|0,0,0]=2 167 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,2,0,0,0,0|0,0,2]=4 168 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,2,0,0,0,0|0,0,2]=4 169 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|0,0,2]=4 170 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|0,0,2]=4 171 B8R0.6 CCCCCC(=O)OC HMDB0035238 [0,2,0,0,0,0|0,0,2]=4 172 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,2,0,0,0,0|0,0,2]=4 173 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [0,2,0,0,0,0|0,0,2]=4 174 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,2,0,0,0,0|0,0,1]=3 175 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [0,2,0,0,0,0|0,0,0]=2 176 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,2,0,0,0,0|0,0,0]=2 177 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,2,0,0,0,0|0,0,2]=4 181 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|0,0,2]=4 182 B8R0.7 CCCCCOC(C)=O HMDB0039095 [0,2,0,0,0,0|0,0,2]=4 183 B8R0.7 CSS/C=C/CS(C)=O HMDB0032124 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,0]=3 193 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,0]=3 194 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,2,0,0,0,0|0,0,2]=4 196 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,2,0,0,0,0|0,0,2]=4 197 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,2,0,0,0,0|0,0,2]=4 198 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,2,0,0,0,0|0,0,2]=4 199 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,2,0,0,0,0|1,0,1]=4 200 B8R0.22 CCCC(CC=O)SC HMDB0040186 [0,2,0,0,0,0|0,0,2]=4 201 B6R1.2 CC1=CC=CN1 HMDB0033114 [1,0,0,1,0,0|1,0,1]=4 202 B6R1.2 CC1=CC=CS1 HMDB0033118 [1,0,0,1,0,0|0,1,1]=4 203 B6R1.2 CC1=CCCS1 HMDB0033565 [1,0,0,1,0,0|0,1,1]=4 204 B6R1.2 CC1=CN=CS1 HMDB0033117 [1,0,0,1,0,0|1,1,0]=4 205 B6R1.2 CC1=COCC1 HMDB0040584 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.2 CC1=CSC=C1 HMDB0033119 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.2 CC1=CSC=N1 HMDB0033116 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 CC1CC=CS1 HMDB0033564 [1,0,0,1,0,0|0,1,1]=4 209 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|0,0,1]=3 210 B6R1.2 CC1CNC=C1 HMDB0033529 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.2 CC1COC=C1 HMDB0037788 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.2 CN1C=CC=C1 HMDB0033113 [1,0,0,1,0,0|1,0,1]=4 213 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,1]=3 214 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.2 O=C1CCON1 HMDB0039426 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,0]=3 217 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.2 C=CC1SCC=CS1 HMDB0034901 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.8 CCCC1=CC=CO1 HMDB0040277 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.8 CCCC1=CC=CS1 HMDB0033160 [0,1,0,1,0,0|0,1,1]=4 225 B8R1.8 COCC1=CC=CO1 HMDB0034247 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.8 CSCC1=CC=CO1 HMDB0032916 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.8 CSCC1=CSC=C1 HMDB0032429 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.11 CCC1=C(C)N=CO1 HMDB0037863 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [0,1,0,1,0,0|1,1,0]=4 230 B8R1.11 CCC1=C(C)SC=N1 HMDB0040062 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.11 CCC1SCCC1=O HMDB0040238 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.11 CN1C=CC=C1C=O HMDB0040582 [0,1,0,1,0,0|0,0,2]=4 233 B8R1.1 CC1=CC=C(O1)C=O HMDB0033002 [0,1,0,1,0,0|0,0,2]=4 234 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,1,0,1,0,0|0,1,1]=4 237 B8R1.1 CCC1=CN=C(C)O1 HMDB0037859 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.1 CCC1=CN=C(C)S1 HMDB0040096 [0,1,0,1,0,0|1,1,0]=4 239 B8R1.1 CCC1=COC(C)=N1 HMDB0037838 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|0,0,2]=4 242 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [0,1,0,1,0,0|0,0,2]=4 244 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.7 CC(=O)C1CCCN1 HMDB0037293 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.7 CC(=O)C1CCSS1 HMDB0040230 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.7 CC(C)C1=CC=CO1 HMDB0040278 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.7 CC(S)C1=CC=CO1 HMDB0039586 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,1,0,1,0,0|1,0,1]=4