0 B19R0.149 C(CCCCCCCCO)CCCCCCCC(=O)O CHEBI:79177 [0,0,0,0,0,0|1,0,0]=1 1 B19R0.149 C(CCCCCCCO)CCCCCC\C=C\C(=O)O CHEBI:79175 [0,0,0,0,0,0|1,0,2]=3 2 B19R0.149 CCCCCC#CC#CCCCCCCCCC(=O)O CHEBI:32411 [0,0,0,0,0,0|0,0,4]=4 3 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(=O)O CHEBI:16423 [0,0,0,0,0,0|0,0,4]=4 4 B19R0.149 CCCCCCC#CCCCCCCCCCC(=O)O CHEBI:38394 [0,0,0,0,0,0|0,0,2]=2 5 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O CHEBI:28801 [0,0,0,0,0,0|0,0,2]=2 6 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CHEBI:132944 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCCCCCC#CCCCCC(=O)O CHEBI:38362 [0,0,0,0,0,0|0,0,2]=2 8 B19R0.149 CCCCCCCCCCCC=C=CCCCC(=O)O CHEBI:24993 [0,0,0,0,0,0|0,0,3]=3 9 B19R0.149 CCCCCCCCCCCC=C=CCCCC(=O)O CHEBI:38401 [0,0,0,0,0,0|0,0,3]=3 10 B19R0.149 CCCCCCCCCCCC=C=CCCCC(=O)O CHEBI:38402 [0,0,0,0,0,0|0,0,3]=3 11 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N CHEBI:34900 [0,0,0,0,0,0|1,0,0]=1 12 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CHEBI:28842 [0,0,0,0,0,0|0,0,0]=0 13 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:132109 [0,0,0,0,0,0|0,0,1]=1 14 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:25629 [0,0,0,0,0,0|0,0,1]=1 15 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:37867 [0,0,0,0,0,0|0,0,1]=1 16 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:9254 [0,0,0,0,0,0|0,0,1]=1 17 B19R0.149 CCCCCCCCCCCCCCC\C=C/C(=O)O CHEBI:50575 [0,0,0,0,0,0|0,0,2]=2 18 B19R0.149 CCCCCCCCCCCCCCC\C=C\C(=O)O CHEBI:50572 [0,0,0,0,0,0|0,0,2]=2 19 B19R0.149 CCCCCCCCCCCCCCC\C=C\C(=O)O CHEBI:50573 [0,0,0,0,0,0|0,0,2]=2 20 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(=O)O CHEBI:28194 [0,0,0,0,0,0|0,0,2]=2 21 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(=O)[O-] CHEBI:32375 [0,0,0,0,0,0|0,0,3]=3 22 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O CHEBI:30829 [0,0,0,0,0,0|0,0,2]=2 23 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O CHEBI:36022 [0,0,0,0,0,0|0,0,2]=2 24 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)[O-] CHEBI:32377 [0,0,0,0,0,0|0,0,3]=3 25 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)N CHEBI:116314 [0,0,0,0,0,0|1,0,2]=3 26 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O CHEBI:16196 [0,0,0,0,0,0|0,0,2]=2 27 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] CHEBI:30823 [0,0,0,0,0,0|0,0,3]=3 28 B19R0.149 CCCCCCCC\C=C/C\C=C/CCCCC(=O)O CHEBI:82749 [0,0,0,0,0,0|0,0,4]=4 29 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O CHEBI:27997 [0,0,0,0,0,0|0,0,2]=2 30 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O CHEBI:36021 [0,0,0,0,0,0|0,0,2]=2 31 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)[O-] CHEBI:30825 [0,0,0,0,0,0|0,0,3]=3 32 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)O CHEBI:50464 [0,0,0,0,0,0|0,0,2]=2 33 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)[O-] CHEBI:30827 [0,0,0,0,0,0|0,0,3]=3 34 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(=O)O CHEBI:32798 [0,0,0,0,0,0|0,0,4]=4 35 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(=O)O CHEBI:36025 [0,0,0,0,0,0|0,0,4]=4 36 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O CHEBI:28727 [0,0,0,0,0,0|0,0,2]=2 37 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O CHEBI:36023 [0,0,0,0,0,0|0,0,2]=2 38 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)[O-] CHEBI:30828 [0,0,0,0,0,0|0,0,3]=3 39 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)[O-] CHEBI:50498 [0,0,0,0,0,0|0,0,3]=3 40 B19R0.149 CCCCC\C=C/C=C/CCCCCCCCC(=O)O CHEBI:44526 [0,0,0,0,0,0|0,0,4]=4 41 B19R0.149 CCCCC\C=C/C=C\CCCCCCCCC(=O)O CHEBI:83063 [0,0,0,0,0,0|0,0,4]=4 42 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O CHEBI:17351 [0,0,0,0,0,0|0,0,4]=4 43 B19R0.149 CCCCC\C=C\C=C\CCCCCCCCC(=O)O CHEBI:36331 [0,0,0,0,0,0|0,0,4]=4 44 B19R0.149 CCCCC\C=C\C\C=C/CCCCCCCC(=O)O CHEBI:86141 [0,0,0,0,0,0|0,0,4]=4 45 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O CHEBI:75108 [0,0,0,0,0,0|0,0,4]=4 46 B19R0.149 CCCC\C=C/CCCCCCCCCCCC(=O)O CHEBI:82617 [0,0,0,0,0,0|0,0,2]=2 47 B19R0.149 CCCC\C=C/CCCCCCCCCCCC(=O)[O-] CHEBI:82618 [0,0,0,0,0,0|0,0,3]=3 48 B18R0.176 C(CCCCCCCC(=O)O)CCCCCCCO CHEBI:55328 [1,0,0,0,0,0|1,0,0]=2 49 B18R0.176 C(CCCCCCCC(=O)[O-])CCCCCCCO CHEBI:55329 [1,0,0,0,0,0|1,0,1]=3 50 B18R0.176 C(CCCCCC\C=C\C(=O)O)CCCCCCO CHEBI:79170 [1,0,0,0,0,0|1,0,2]=4 51 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CHEBI:32365 [1,0,0,0,0,0|0,0,0]=1 52 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:32366 [1,0,0,0,0,0|0,0,1]=2 53 B18R0.176 CCCCCCCC\C=C/CCCCCCC(=O)O CHEBI:78448 [1,0,0,0,0,0|0,0,2]=3 54 B18R0.176 CCCCCCC\C=C/CCCCCCCC(=O)O CHEBI:84328 [1,0,0,0,0,0|0,0,2]=3 55 B18R0.176 CCCCCC\C=C/CCCCCCCCC(=O)O CHEBI:75094 [1,0,0,0,0,0|0,0,2]=3 56 B18R0.176 CCCCCC\C=C/CCCCCCCCC(=O)[O-] CHEBI:78990 [1,0,0,0,0,0|0,0,3]=4 57 B18R0.176 CCCCCC\C=C\CCCCCCCCC(=O)O CHEBI:75097 [1,0,0,0,0,0|0,0,2]=3 58 B18R0.176 CCCCCC\C=C\CCCCCCCCC(=O)O CHEBI:75098 [1,0,0,0,0,0|0,0,2]=3 59 B18R0.176 CCCCCC\C=C\CCCCCCCCC(=O)[O-] CHEBI:133736 [1,0,0,0,0,0|0,0,3]=4 60 B18R0.221 CCCCCCCCCCCCCCCCCC=C CHEBI:64503 [1,0,0,0,0,0|1,0,0]=2 61 B18R0.221 CCCCCCCCCCCCCCCCCC=O CHEBI:17034 [1,0,0,0,0,0|0,0,0]=1 62 B18R0.221 CCCCCCCCCCCCCCCCCCC CHEBI:32927 [1,0,0,0,0,0|1,0,1]=3 63 B18R0.221 CCCCCCCCCCCCCCCCCCN CHEBI:63866 [1,0,0,0,0,0|1,0,1]=3 64 B18R0.221 CCCCCCCCCCCCCCCCCCO CHEBI:32154 [1,0,0,0,0,0|0,0,1]=2 65 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO CHEBI:73504 [1,0,0,0,0,0|0,0,3]=4 66 B18R0.221 CCCCCC\C=C/CCCCCCCCCCO CHEBI:50405 [1,0,0,0,0,0|0,0,3]=4 67 B18R0.221 CCCC\C=C/CCCCCCCCCCCC=C CHEBI:64506 [1,0,0,0,0,0|1,0,2]=4 68 B18R0.221 CCCC\C=C/CCCCCCCCCCCCO CHEBI:78805 [1,0,0,0,0,0|0,0,3]=4 69 B20R0.68 CCCCCCCCC(C)CCCCCCCCC(=O)O CHEBI:68565 [0,1,0,0,0,0|0,0,0]=1 70 B20R0.68 CCCCCCCC[C@@H](\C=C\CCCCCCC(=O)O)O CHEBI:75828 [0,1,0,0,0,0|0,0,2]=3 71 B20R0.68 CCCCCCCC[C@@H](\C=C\CCCCCCC(=O)[O-])O CHEBI:75329 [0,1,0,0,0,0|0,0,3]=4 72 B20R0.68 CCCCCCCC[C@H](CCCCCCCCC(=O)O)O CHEBI:33197 [0,1,0,0,0,0|0,0,0]=1 73 B20R0.68 CCCCCCCC[C@H](CCCCCCCCC(=O)[O-])O CHEBI:15683 [0,1,0,0,0,0|0,0,1]=2 74 B20R0.90 CCCCCCC(C)CCCCCCCCCCC(=O)O CHEBI:85058 [0,1,0,0,0,0|0,0,0]=1 75 B20R0.90 CCCCCCC(C)CCCCCCCCCCC(=O)[O-] CHEBI:84176 [0,1,0,0,0,0|0,0,1]=2 76 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O CHEBI:85208 [0,1,0,0,0,0|0,0,0]=1 77 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)[O-])O CHEBI:84201 [0,1,0,0,0,0|0,0,1]=2 78 B20R0.90 CCCCCCC(C\C=C/CCCCCCCC(=O)O)O CHEBI:85639 [0,1,0,0,0,0|0,0,2]=3 79 B20R0.90 CCCCCCC(C\C=C/CCCCCCCC(=O)[O-])O CHEBI:85150 [0,1,0,0,0,0|0,0,3]=4 80 B20R0.90 CCCCCCC(C\C=C\CCCCCCCC(=O)O)O CHEBI:85641 [0,1,0,0,0,0|0,0,2]=3 81 B20R0.90 CCCCCCC(C\C=C\CCCCCCCC(=O)[O-])O CHEBI:85152 [0,1,0,0,0,0|0,0,3]=4 82 B20R0.90 CCCCCC[C@H](C\C=C/CCCCCCCC(=O)O)O CHEBI:28592 [0,1,0,0,0,0|0,0,2]=3 83 B20R0.90 CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])O CHEBI:91295 [0,1,0,0,0,0|0,0,3]=4 84 B20R0.90 CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O CHEBI:45478 [0,1,0,0,0,0|0,0,2]=3 85 B20R0.2931 C(CCCCCCCO)CCCCCC[C@H](CC(=O)O)O CHEBI:79288 [0,1,0,0,0,0|1,0,0]=2 86 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O CHEBI:50576 [0,1,0,0,0,0|0,0,1]=2 87 B20R0.2931 CCCCCCCCCCCCCCCC(CC(=O)O)O CHEBI:50578 [0,1,0,0,0,0|0,0,0]=1 88 B20R0.2931 CCCCCCCCCCCCCCCC(CC(=O)[O-])O CHEBI:76614 [0,1,0,0,0,0|0,0,1]=2 89 B20R0.2931 CCCCCCCCCCCCCCC[C@@H](CC(=O)O)O CHEBI:50579 [0,1,0,0,0,0|0,0,0]=1 90 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC CHEBI:27542 [0,1,0,0,0,0|0,0,2]=3 91 B20R0.3037 CCCCCCCCCCCCCCCCC(=O)C(=O)O CHEBI:30820 [0,1,0,0,0,0|0,0,1]=2 92 B20R0.3037 CCCCCCCCCCCCCCCCC(=O)C(=O)[O-] CHEBI:17162 [0,1,0,0,0,0|0,0,2]=3 93 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)O)O CHEBI:19660 [0,1,0,0,0,0|0,0,0]=1 94 B20R0.3037 CCCCCCCCCCCCCCCCC(C(=O)[O-])O CHEBI:76724 [0,1,0,0,0,0|0,0,1]=2 95 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](C(=O)O)O CHEBI:18129 [0,1,0,0,0,0|0,0,0]=1 96 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](C(=O)[O-])O CHEBI:58386 [0,1,0,0,0,0|0,0,1]=2 97 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](C(=O)O)O CHEBI:15913 [0,1,0,0,0,0|0,0,0]=1 98 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](C(=O)[O-])O CHEBI:57562 [0,1,0,0,0,0|0,0,1]=2 99 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(=O)O CHEBI:84875 [0,1,0,0,0,0|0,0,0]=1 100 B20R0.31940 C(CCCCCCCCC(=O)O)CCCCCCCCO CHEBI:79182 [0,1,0,0,0,0|0,0,0]=1 101 B20R0.31940 C(CCCCCCCCC(=O)[O-])CCCCCCCCO CHEBI:86046 [0,1,0,0,0,0|0,0,1]=2 102 B20R0.31940 C(CCCCCCC\C=C\C(=O)O)CCCCCCCO CHEBI:79178 [0,1,0,0,0,0|0,0,2]=3 103 B20R0.31940 C(CCCCO)CCC\C=C/CCCCCCCC(=O)O CHEBI:79312 [0,1,0,0,0,0|0,0,2]=3 104 B20R0.31940 C(CCCCO)CCC\C=C/CCCCCCCC(=O)[O-] CHEBI:78424 [0,1,0,0,0,0|0,0,3]=4 105 B20R0.31940 C(CCC\C=C/CCCCCCCC(=O)O)CCCC=O CHEBI:133357 [0,1,0,0,0,0|0,0,3]=4 106 B20R0.31940 CC(C)CCCCCCCCCCCCCCCCCO CHEBI:84914 [0,1,0,0,0,0|2,0,1]=4 107 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O CHEBI:39246 [0,1,0,0,0,0|0,0,0]=1 108 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:78796 [0,1,0,0,0,0|0,0,1]=2 109 B20R0.31940 CCCCCCCCCCCCCCCCCCC(C)C CHEBI:132293 [0,1,0,0,0,0|2,0,1]=4 110 B20R0.31940 CCCCCCCCC\C=C/CCCCCCCC(=O)O CHEBI:78443 [0,1,0,0,0,0|0,0,1]=2 111 B20R0.31940 CCCCCCCC\C=C/CCCCCCCCC(=O)O CHEBI:83051 [0,1,0,0,0,0|0,0,1]=2 112 B20R0.31940 CCCCCCCC\C=C\CCCCCCCCC(=O)O CHEBI:83050 [0,1,0,0,0,0|0,0,1]=2 113 B20R0.31940 CCCCCCCC\C=C\CCCCCCCCC(=O)[O-] CHEBI:83052 [0,1,0,0,0,0|0,0,2]=3 114 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O CHEBI:133136 [0,1,0,0,0,0|0,0,0]=1 115 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)[O-] CHEBI:133138 [0,1,0,0,0,0|0,0,1]=2 116 B20R0.35227 C[C@H](CCCCCCCCCCCCCCCC(=O)O)O CHEBI:79004 [0,1,0,0,0,0|0,0,0]=1 117 B20R0.35227 C[C@H](CCCCCCCCCCCCC\C=C\C(=O)O)O CHEBI:79002 [0,1,0,0,0,0|0,0,2]=3 118 B20R1.31096 C1CC(C=C1)CCCCCCCCCCCCC(=O)O CHEBI:27939 [0,0,0,1,0,0|0,0,2]=3 119 B20R1.31096 C1C[C@@H](C=C1)CCCCCCCCCCCCC(=O)O CHEBI:61391 [0,0,0,1,0,0|0,0,2]=3 120 B20R1.31096 C1C[C@H](C=C1)CCCCCCCCCCCCC(=O)O CHEBI:61389 [0,0,0,1,0,0|0,0,2]=3 121 B20R1.34039 CCCCCCCCC1=C(C1)CCCCCCC(=O)O CHEBI:6673 [0,0,0,1,0,0|0,0,2]=3 122 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O CHEBI:79169 [2,0,0,0,0,0|1,0,0]=3 123 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)[O-] CHEBI:84203 [2,0,0,0,0,0|1,0,1]=4 124 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CHEBI:74475 [2,0,0,0,0,0|1,0,0]=3 125 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CHEBI:15756 [2,0,0,0,0,0|0,0,0]=2 126 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CHEBI:7896 [2,0,0,0,0,0|0,0,1]=3 127 B17R0.43 CCCCCCCCCCCCC\C=C\C(=O)O CHEBI:37252 [2,0,0,0,0,0|0,0,2]=4 128 B17R0.43 CCCCCCCCCCC\C=C/CCC(=O)O CHEBI:86140 [2,0,0,0,0,0|0,0,2]=4 129 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O CHEBI:76244 [2,0,0,0,0,0|0,0,2]=4 130 B17R0.43 CCCCCCCC\C=C/CCCCCC(=O)O CHEBI:35465 [2,0,0,0,0,0|0,0,2]=4 131 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O CHEBI:28716 [2,0,0,0,0,0|0,0,2]=4 132 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O CHEBI:59265 [2,0,0,0,0,0|0,0,2]=4 133 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O CHEBI:72004 [2,0,0,0,0,0|0,0,2]=4 134 B17R0.43 CCCC\C=C/CCCCCCCCCC(=O)O CHEBI:35464 [2,0,0,0,0,0|0,0,2]=4 135 B17R0.117 CCCCCCCCCCCCCCCCC=C CHEBI:30824 [2,0,0,0,0,0|0,0,1]=3 136 B17R0.117 CCCCCCCCCCCCCCCCCC CHEBI:32926 [2,0,0,0,0,0|0,0,1]=3 137 B17R0.117 CCCCCCCCCCCCCCCCCO CHEBI:77470 [2,0,0,0,0,0|0,0,0]=2 138 B17R0.117 CCCCCCCCCCCCCCC\C=C\C CHEBI:50574 [2,0,0,0,0,0|1,0,1]=4 139 B19R0.35 C(CCCCCCC(CC(=O)O)O)CCCCCCO CHEBI:63900 [1,1,0,0,0,0|1,0,0]=3 140 B19R0.35 C(CCCCCCC(CC(=O)[O-])O)CCCCCCO CHEBI:63904 [1,1,0,0,0,0|1,0,1]=4 141 B19R0.35 C(CCCCCC[C@H](CC(=O)O)O)CCCCCCO CHEBI:79287 [1,1,0,0,0,0|1,0,0]=3 142 B19R0.148 CCCCCCCCCCCCCCCCC(C=O)O CHEBI:65084 [1,1,0,0,0,0|0,0,1]=3 143 B19R0.148 CCCCCCCCCCCCCCCCC(CO)O CHEBI:84956 [1,1,0,0,0,0|0,0,2]=4 144 B19R0.153 CCCCCCCCCCCCCCCC(C(=O)O)O CHEBI:84854 [1,1,0,0,0,0|0,0,0]=2 145 B19R0.153 CCCCCCCCCCCCCCC[C@H](C)C(=O)O CHEBI:85218 [1,1,0,0,0,0|0,0,0]=2 146 B19R0.153 CCCCCCCCCCCCCCC[C@H](C)C(=O)[O-] CHEBI:84269 [1,1,0,0,0,0|0,0,1]=3 147 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O CHEBI:87142 [1,1,0,0,0,0|1,0,1]=4 148 B19R0.443 C(CCCCCCCC(=O)O)CCCCCCC(=O)O CHEBI:73722 [1,1,0,0,0,0|1,0,1]=4 149 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O CHEBI:84896 [1,1,0,0,0,0|0,0,0]=2 150 B19R0.443 C[C@H](CCCCCCCCCCCCCCC(=O)O)O CHEBI:79001 [1,1,0,0,0,0|0,0,0]=2 151 B19R0.443 C[C@H](CCCCCCCCCCCC\C=C\C(=O)O)O CHEBI:78999 [1,1,0,0,0,0|0,0,2]=4 152 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)F CHEBI:43275 [1,1,0,0,0,0|1,0,1]=4 153 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)O CHEBI:43043 [1,1,0,0,0,0|1,0,0]=3 154 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)[O-] CHEBI:32913 [1,1,0,0,0,0|1,0,1]=4 155 B19R0.21384 CC(CCCCCCCCCCCCCC(=O)O)CO CHEBI:84939 [1,1,0,0,0,0|1,0,0]=3 156 B19R0.21384 CC(CCCCCCCCCCCCCC(=O)[O-])CO CHEBI:83914 [1,1,0,0,0,0|1,0,1]=4 157 B19R0.36 CCCCCCCCCCCCCCCCCCCC CHEBI:43619 [1,1,0,0,0,0|1,0,1]=4 158 B21R0.9111 CCCCCCCCC(C(CCCCCCCC(=O)O)O)O CHEBI:28724 [0,2,0,0,0,0|0,0,0]=2 159 B21R0.9111 CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O CHEBI:85197 [0,2,0,0,0,0|0,0,1]=3 160 B21R0.9111 CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)O)O)O CHEBI:49254 [0,2,0,0,0,0|0,0,0]=2 161 B21R0.9111 CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)[O-])O)O CHEBI:58797 [0,2,0,0,0,0|0,0,1]=3 162 B21R0.9111 CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)O)O)O CHEBI:85633 [0,2,0,0,0,0|0,0,0]=2 163 B21R0.9111 CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)[O-])O)O CHEBI:85147 [0,2,0,0,0,0|0,0,1]=3 164 B21R0.9111 CCCCC\C=C/CC(C(CCCCCCCC(=O)O)O)O CHEBI:72663 [0,2,0,0,0,0|0,0,2]=4 165 B21R0.9398 CCCCCCCCC(\C=C\CCCCCCC(=O)O)OO CHEBI:85589 [0,2,0,0,0,0|0,0,2]=4 166 B21R0.9398 CCCCCCCC[C@@H](\C=C\CCCCCCC(=O)O)OO CHEBI:75831 [0,2,0,0,0,0|0,0,2]=4 167 B21R0.2950 C(CCCCCC(=O)O)CCCCC(CCCCCCO)O CHEBI:128770 [0,2,0,0,0,0|0,0,0]=2 168 B21R0.2950 C(CCCCCC(=O)[O-])CCCCC(CCCCCCO)O CHEBI:91294 [0,2,0,0,0,0|0,0,1]=3 169 B21R0.37067 CCCCCC(C(C\C=C/CCCCCCCC(=O)O)O)O CHEBI:72665 [0,2,0,0,0,0|0,0,2]=4 170 B21R0.39806 C[C@H](CCCCCCCCCCCCC[C@H](CC(=O)O)O)O CHEBI:79250 [0,2,0,0,0,0|0,0,0]=2 171 B21R0.85 C(CCCCCCCC(CC(=O)O)O)CCCCCCCO CHEBI:76933 [0,2,0,0,0,0|0,0,0]=2 172 B21R0.85 C(CCCCCCCC(CC(=O)[O-])O)CCCCCCCO CHEBI:76615 [0,2,0,0,0,0|0,0,1]=3 173 B21R0.85 C(CCCCCCC[C@H](CC(=O)O)O)CCCCCCCO CHEBI:79290 [0,2,0,0,0,0|0,0,0]=2 174 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC CHEBI:84936 [0,2,0,0,0,0|0,0,0]=2 175 B21R0.2907 CCCCCCCCCCCCCCCCCC(CCO)O CHEBI:52344 [0,2,0,0,0,0|0,0,2]=4 176 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC CHEBI:84940 [0,2,0,0,0,0|0,0,2]=4 177 B21R0.2907 CCCCCC\C=C/CCCCCCCCCC(=O)OCC CHEBI:84942 [0,2,0,0,0,0|0,0,2]=4 178 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC CHEBI:87758 [0,2,0,0,0,0|0,0,0]=2 179 B21R0.36766 CCCCCCCCCCCCCCCCCCC(CO)O CHEBI:84957 [0,2,0,0,0,0|0,0,2]=4 180 B21R0.36766 CCCCCCCCCCCCCCCCOCC(CO)O CHEBI:76061 [0,2,0,0,0,0|0,0,2]=4 181 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](CO)N CHEBI:78541 [0,2,0,0,0,0|1,0,1]=4 182 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](CO)O CHEBI:34115 [0,2,0,0,0,0|0,0,2]=4 183 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](CO)[NH3+] CHEBI:77786 [0,2,0,0,0,0|1,0,1]=4 184 B21R0.36769 CCCCCCCCCCCCCCCCCC(C(=O)O)O CHEBI:84855 [0,2,0,0,0,0|0,0,0]=2 185 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O CHEBI:39540 [0,2,0,0,0,0|0,0,1]=3 186 B21R0.31992 CCCCCCC\C=C\C(CCCCCCCC(=O)O)OO CHEBI:85587 [0,2,0,0,0,0|0,0,2]=4 187 B21R0.81 C(CCCCCCCCCO)CCCCCCCCC(=O)O CHEBI:79179 [0,2,0,0,0,0|0,0,0]=2 188 B21R0.81 C(CCCCCCCCO)CCCCCCC\C=C\C(=O)O CHEBI:79180 [0,2,0,0,0,0|0,0,1]=3 189 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O CHEBI:28822 [0,2,0,0,0,0|0,0,0]=2 190 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)[O-] CHEBI:32360 [0,2,0,0,0,0|0,0,1]=3 191 B21R0.81 CCCCCCCCCCCCCCCCC\C=C\C(=O)O CHEBI:79014 [0,2,0,0,0,0|0,0,0]=2 192 B21R0.81 CCCCCCCCCC\C=C/CCCCCCCC(=O)O CHEBI:32419 [0,2,0,0,0,0|0,0,0]=2 193 B21R0.81 CCCCCCCCCC\C=C/CCCCCCCC(=O)[O-] CHEBI:32420 [0,2,0,0,0,0|0,0,1]=3 194 B21R0.81 CCCCCCCCCC\C=C\CCCCCCCC(=O)O CHEBI:32422 [0,2,0,0,0,0|0,0,0]=2 195 B21R0.81 CCCCCCCCCC\C=C\CCCCCCCC(=O)[O-] CHEBI:32423 [0,2,0,0,0,0|0,0,1]=3 196 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O CHEBI:32425 [0,2,0,0,0,0|0,0,0]=2 197 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)[O-] CHEBI:32426 [0,2,0,0,0,0|0,0,1]=3 198 B21R0.81 CCCCCCCC\C=C/C\C=C/CCCCCCC(=O)O CHEBI:78706 [0,2,0,0,0,0|0,0,2]=4 199 B21R0.81 CCCCCC\C=C/CCCCCCCCCCOC(=O)C CHEBI:46274 [0,2,0,0,0,0|1,0,1]=4 200 B21R0.81 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O CHEBI:73731 [0,2,0,0,0,0|0,0,2]=4 201 B21R0.9014 C(CCCCCCCCC(=O)O)CCCCCCCC(=O)O CHEBI:133086 [0,2,0,0,0,0|0,0,1]=3 202 B21R0.9014 C(CCCCCCCCC(=O)[O-])CCCCCCCC(=O)[O-] CHEBI:133087 [0,2,0,0,0,0|0,0,2]=4 203 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O CHEBI:84899 [0,2,0,0,0,0|0,0,0]=2 204 B21R0.9014 C[C@H](CCCCCCCCCCCCCCCCC(=O)O)O CHEBI:79011 [0,2,0,0,0,0|0,0,0]=2 205 B21R0.9014 C[C@H](CCCCCCCCCCCCCC\C=C\C(=O)O)O CHEBI:79006 [0,2,0,0,0,0|0,0,1]=3 206 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O CHEBI:9261 [0,1,0,1,0,0|0,0,1]=3 207 B21R1.17805 CCCCCCCCC1C(O1)CCCCCCCC(=O)O CHEBI:85661 [0,1,0,1,0,0|0,0,0]=2 208 B21R1.17805 CCCCCCCCC1C(O1)CCCCCCCC(=O)[O-] CHEBI:85195 [0,1,0,1,0,0|0,0,1]=3 209 B21R1.17805 CCCCC\C=C/CC1C(O1)CCCCCCCC(=O)O CHEBI:34494 [0,1,0,1,0,0|0,0,2]=4 210 B21R1.17805 CCCCC\C=C/C[C@H]1[C@H](O1)CCCCCCCC(=O)O CHEBI:86022 [0,1,0,1,0,0|0,0,2]=4 211 B21R1.633376 CCCCCC1C(O1)C\C=C/CCCCCCCC(=O)O CHEBI:38299 [0,1,0,1,0,0|0,0,2]=4 212 B21R1.633376 CCCCC[C@@H]1[C@@H](O1)C\C=C/CCCCCCCC(=O)O CHEBI:27706 [0,1,0,1,0,0|0,0,2]=4 213 B21R1.633376 CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O CHEBI:38300 [0,1,0,1,0,0|0,0,2]=4 214 B21R1.988145 CCCCCCC1CC1CCCCCCCCCC(=O)O CHEBI:61456 [0,1,0,1,0,0|0,0,0]=2 215 B21R1.988145 CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)O CHEBI:34811 [0,1,0,1,0,0|0,0,0]=2