0 B9R0.2 CC(C)CCCCCC=O RT1248 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.2 CC(C)CCCCCCO XJ2143 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.2 CC(C)CCCCCCO XJ4926 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CC(O)COCC#CCO XJ1839 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 CCCCCC#CC(=O)O XJ2930 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 CCCCCCCC(C)=O LQ1471 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.2 CCCCCCCC(C)Br XJ2055 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.2 CCCCCCCC(C)C XJ1411 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.2 CCCCCCCC(C)O LQ1241 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.2 CN(C)CCCCCCO RT0044 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.2 O=C(O)CCCCCCBr YH53191 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.2 O=C(O)CCCCCCO RT17679 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.4 C#CCCCCCCC LQ2434 [1,0,0,0,0,0|0,0,2]=3 16 B8R0.4 C#CCCCCCCO RT0526 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.4 C=CCCCCCCC HL1481 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.4 CCCCC#CCCO JZ4975 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.4 CCCCCC#CCO XJ4574 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.4 CCCCCCCC#N HL1482 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.4 CCCCCCCCBr XJ0418 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.4 CCCCCCCCC XJ0421 [1,0,0,0,0,0|0,0,0]=1 23 B8R0.4 CCCCCCCCI LQ1253 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.4 CCCCCCCCN YH24980 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.4 CCCCCCCCS XJ0423 [1,0,0,0,0,0|0,1,0]=2 26 B8R0.4 CCCCCCN=C=S JZ2537 [1,0,0,0,0,0|1,1,1]=4 27 B8R0.4 CCCCCCNCC JZ5362 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.4 CCCCCSCCO JZ5724 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.4 CCCCOCCCC HL1566 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 CCCCOCCCC LT4297 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.4 CCCC[SnH4+2]CCCC LL0102 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.4 COCCNCCOC XJ0426 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.4 NCCCCCCCN XJ1217 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.4 NCCCCCCCO YH43193 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.4 NCCCCNCCO JZ5587 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.4 NCCCNCCCN LQ0039 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.4 OCCCNCCCO YH65471 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.7 CC(C)CCCCC=O RT0529 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 CC(C)CCCCCO RT1226 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.7 CCCCCCC(=O)O XJ0376 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.7 CCCCCCC(C)Br LQ1034 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.7 CCCCCCC(C)N LQ1330 [1,0,0,0,0,0|1,0,0]=2 43 B8R0.7 CCCCCCC(C)O XJ2646 [1,0,0,0,0,0|0,0,0]=1 44 B8R0.7 CCCCCCC(C)O XJ2647 [1,0,0,0,0,0|0,0,0]=1 45 B8R0.7 CCCCCCC(C)S XJ2345 [1,0,0,0,0,0|0,1,0]=2 46 B8R0.7 CCCCCCN(C)C JZ2511 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.7 CCCCCC[C@H](C)O XJ6892 [1,0,0,0,0,0|0,0,0]=1 48 B8R0.7 CCCCCC[N+](=O)[O-] RT0284 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.7 CCCCCOC(C)=O HL0284 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.7 CCCCOCC(=O)O HL2310 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.7 CCCCOCC(C)O JZ5031 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.7 CC\C=C\CCC(C)O RT1178 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.7 NCCCCCC(=O)O JZ1196 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.7 NCCCCCC(=O)O RT0574 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.7 O=C(O)CCCCCBr HL2738 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.7 O=C(O)CCCCCCl LT3590 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.7 O=C(O)CCCCCO JZ4450 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.3 CC(C)CCCC(C)CCBr RT0647 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.3 CC(C)CCCC(C)CCO XJ0349 [0,1,0,0,0,0|2,0,0]=3 60 B10R0.4 CC(C)CCCCCCC=O RT1236 [0,1,0,0,0,0|1,0,1]=3 61 B10R0.4 CC(C)CCCCCCCO JZ5690 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.4 CC(C)CCCCCCCO RT1256 [0,1,0,0,0,0|1,0,0]=2 63 B10R0.4 CCCCCCCCC(=O)Cl XJ1343 [0,1,0,0,0,0|1,0,2]=4 64 B10R0.4 CCCCCCCCC(C)O XJ1596 [0,1,0,0,0,0|0,0,0]=1 65 B10R0.4 CCCCCCCCN(C)C JZ3098 [0,1,0,0,0,0|2,0,0]=3 66 B10R0.4 CCCCCCCOC(=O)Cl LQ4802 [0,1,0,0,0,0|1,0,2]=4 67 B10R0.4 CCCCCCCOC(C)=O XJ0432 [0,1,0,0,0,0|0,0,2]=3 68 B10R0.4 CN(C)CCCNCCCN JZ3455 [0,1,0,0,0,0|3,0,0]=4 69 B10R0.4 NCCCCCCCC(=O)O HL0564 [0,1,0,0,0,0|1,0,1]=3 70 B10R0.4 NCCCCCCNC(=O)O HL1567 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [0,1,0,0,0,0|1,0,1]=3 72 B10R0.4 O=C(O)CCCCCCCO YH17816 [0,1,0,0,0,0|1,0,1]=3 73 B10R0.6 CCCCCC(=O)OC(C)C HL2217 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.6 CCCCCC(O)CC(=O)O XJ4061 [0,1,0,0,0,0|1,0,1]=3 75 B10R0.6 CCCCOC(=O)CC(C)C LQ0430 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.22 CCCCCCSS(C)(=O)=O RT17821 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.22 C[N+](C)(C)CCCCCCBr RT0407 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.22 C[N+](C)(C)CCCCCCN RT0783 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.74 CCCCCCCC(=N)OC RT1143 [0,1,0,0,0,0|1,0,1]=3 80 B10R0.74 CCCCCCCC(=O)CC LQ1524 [0,1,0,0,0,0|0,0,2]=3 81 B10R0.74 CCCCCCCC(=O)OC XJ0374 [0,1,0,0,0,0|0,0,2]=3 82 B10R0.74 CCCCCCCC(C)CO LQ5052 [0,1,0,0,0,0|0,0,0]=1 83 B10R0.74 CCCCCCCC(O)CC JZ4657 [0,1,0,0,0,0|0,0,0]=1 84 B10R0.74 CCCCCCOC(=O)CC XJ2189 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.74 CCOCCCOC(O)CC LT5010 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.74 COC(=O)CCCCCCN RT1454 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.75 CCCCCCC(O)C(=O)O LQ1207 [0,1,0,0,0,0|1,0,1]=3 88 B10R0.75 CCCCCC[C@@H](N)[C@@H](C)O RT1718 [0,1,0,0,0,0|0,0,0]=1 89 B10R0.75 CCCCCC[C@H](N)[C@@H](C)O RT1722 [0,1,0,0,0,0|0,0,0]=1 90 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [0,1,0,0,0,0|1,0,1]=3 91 B10R0.97 CC(C)CCNCCC(C)C HL1953 [0,1,0,0,0,0|2,0,0]=3 92 B10R0.97 CC(C)CCOCCC(C)C HL1954 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.97 CC(C)CCSCCC(C)C HL1955 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.10 CCCC1CCCC(=O)O1 LQ1386 [0,0,0,1,0,0|1,0,1]=3 95 B10R1.18 CC(=O)CC1CCCCC1 LL0342 [0,0,0,1,0,0|0,0,2]=3 96 B10R1.18 CC(C)CC1CNCCN1 YH90239 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.18 CC(C)CN1CCNCC1 JZ2697 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.18 CC(O)CN1CCCCC1 LT0492 [0,0,0,1,0,0|1,0,0]=2 99 B10R1.18 CC(O)CN1CCOCC1 LQ2053 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.18 CN(C)CC1CCCCC1 XJ0262 [0,0,0,1,0,0|2,0,0]=3 101 B10R1.18 O=C(O)CC1CCCCC1 JZ2678 [0,0,0,1,0,0|1,0,1]=3 102 B10R1.18 O=C(O)CC1CCCCN1 YH43926 [0,0,0,1,0,0|2,0,1]=4 103 B10R1.18 O=C(O)CC1CCCNC1 LL1374 [0,0,0,1,0,0|2,0,1]=4 104 B10R1.18 O=C(O)CC1CCC[NH2+]C1 YH15549 [0,0,0,1,0,0|2,0,1]=4 105 B10R1.18 O=C(O)CC1CCOCC1 YH89653 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.18 O=C(O)CC1CC[NH2+]CC1 HL4495 [0,0,0,1,0,0|2,0,1]=4 107 B10R1.61 CC1CCCCC1C(=O)O LT5851 [0,0,0,1,0,0|1,0,1]=3 108 B10R1.61 CN1CCCCC1C(=O)O RT5494 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.61 C[C@H]1CCCN[C@H]1C(=O)O YH29336 [0,0,0,1,0,0|2,0,1]=4 110 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O LQ4559 [0,0,0,1,0,0|2,0,1]=4 111 B10R1.66 O=C(O)CCC1CCCC1 RT12350 [0,0,0,1,0,0|1,0,1]=3 112 B10R1.78 O=C1CCCCCCCN1 JZ4295 [0,0,0,1,0,0|1,0,2]=4 113 B10R1.348 O=C(O)C1CCCCCC1 HL0836 [0,0,0,1,0,0|1,0,1]=3 114 B10R1.348 O=C(O)C1CCCCCN1 YH05142 [0,0,0,1,0,0|2,0,1]=4 115 B7R0.1 C#CCCCCCC LQ1243 [2,0,0,0,0,0|0,0,2]=4 116 B7R0.1 C#CCCCCCO RT14015 [2,0,0,0,0,0|0,0,2]=4 117 B7R0.1 CCCC#CCCC JZ1797 [2,0,0,0,0,0|0,0,2]=4 118 B7R0.1 CCCCC#CCO HL0563 [2,0,0,0,0,0|0,0,2]=4 119 B7R0.1 CCCCCCC#N LQ1245 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.1 CCCCCCCC XJ0405 [2,0,0,0,0,0|0,0,0]=2 121 B7R0.1 CCCCCCCCl LQ1244 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.1 CCCCCCCN XJ0408 [2,0,0,0,0,0|1,0,0]=3 123 B7R0.1 CCCCCCCS HL0937 [2,0,0,0,0,0|0,1,0]=3 124 B7R0.1 CCCCCC[Mg]Cl LQ5137 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.1 CCCCCNCC JZ5218 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.1 CCCCNCCC LQ4205 [2,0,0,0,0,0|1,0,0]=3 127 B7R0.1 CCCCOCCO XJ0413 [2,0,0,0,0,0|1,0,0]=3 128 B7R0.1 CCCSSCCC LQ1250 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.1 CCC\C=C/CCC LQ3284 [2,0,0,0,0,0|0,0,2]=4 130 B7R0.1 CCC\C=C/CCO JZ4690 [2,0,0,0,0,0|0,0,2]=4 131 B7R0.1 CCNCCNCC XJ0412 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.1 CCOCCCCCl XJ5238 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.1 CCOCCCCO LT2386 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.1 CC\C=C/CCCO XJ3057 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.1 COCCOCCO XJ0414 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 C\C=C\CCCCC XJ0407 [2,0,0,0,0,0|0,0,2]=4 137 B7R0.1 ClCCCCCCI XJ5164 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.1 FCCCCCCBr XJ0714 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.1 ICCCCCCI LQ1246 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.1 NCCCCCCBr RT0122 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.1 NCCCCCCN RT0396 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 NCCCNCCO XJ2715 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 OCCCCCCCl LT3732 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.1 OCCCCCCS HL0924 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.1 OCCCNCCCl RT0430 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.1 SCCCCCCS JZ4451 [2,0,0,0,0,0|1,1,0]=4 147 B7R0.4 CC(C)CCCCO RT0516 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.4 CCCCCC(C)C HL0115 [2,0,0,0,0,0|1,0,0]=3 149 B7R0.4 CCCCCC(C)N JZ2985 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.4 CCCCCC(C)N XJ0515 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.4 CCCCC[C@H](C)O JZ2825 [2,0,0,0,0,0|0,0,0]=2 152 B7R0.4 CCCNCC(C)O RT1462 [2,0,0,0,0,0|1,0,0]=3 153 B9R0.5 CCCCCC(=O)CCC XJ2740 [1,1,0,0,0,0|0,0,1]=3 154 B9R0.5 CCCCCC(O)CCC LQ2960 [1,1,0,0,0,0|0,0,0]=2 155 B9R0.5 CCCCOC(=O)CCC LQ0432 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.18 CCCCC(=O)CCCC XJ0861 [1,1,0,0,0,0|0,0,1]=3 157 B9R0.45 C#CCCCCCCCC XJ1344 [1,1,0,0,0,0|0,0,1]=3 158 B9R0.45 C=CCCCCCCCC XJ1413 [1,1,0,0,0,0|0,0,1]=3 159 B9R0.45 CCCCC#CCCCC JZ1798 [1,1,0,0,0,0|0,0,1]=3 160 B9R0.45 CCCCCC#CCCO LQ4704 [1,1,0,0,0,0|0,0,1]=3 161 B9R0.45 CCCCCCC#CCO LQ2951 [1,1,0,0,0,0|0,0,1]=3 162 B9R0.45 CCCCCCCCCCl HL2250 [1,1,0,0,0,0|0,0,0]=2 163 B9R0.45 CCCCCCCCCI LQ2646 [1,1,0,0,0,0|0,0,0]=2 164 B9R0.45 CCCCCCCCCN XJ0441 [1,1,0,0,0,0|0,0,0]=2 165 B9R0.45 CCCCCCCCCO HL1569 [1,1,0,0,0,0|0,0,0]=2 166 B9R0.45 CCCCCCCCNC XJ2176 [1,1,0,0,0,0|0,0,0]=2 167 B9R0.45 CCCCCCCCSC LT5548 [1,1,0,0,0,0|0,0,0]=2 168 B9R0.45 CCCCCCCN=C=O JZ2577 [1,1,0,0,0,0|0,0,2]=4 169 B9R0.45 CCCCCCCN=C=S XJ2667 [1,1,0,0,0,0|0,1,1]=4 170 B9R0.45 CCCCCCOCCO XJ0443 [1,1,0,0,0,0|0,0,0]=2 171 B9R0.45 CCCCOCCCCO RT1173 [1,1,0,0,0,0|0,0,0]=2 172 B9R0.45 CCCCSSCCCC LQ1258 [1,1,0,0,0,0|1,0,0]=3 173 B9R0.45 CCCC\C=C\CCCC JZ3144 [1,1,0,0,0,0|0,0,1]=3 174 B9R0.45 CCOCCCCOCC XJ3853 [1,1,0,0,0,0|1,0,0]=3 175 B9R0.45 CC\C=C/CCCCCO LQ4878 [1,1,0,0,0,0|0,0,1]=3 176 B9R0.45 COCCCCCCOC JZ3663 [1,1,0,0,0,0|1,0,0]=3 177 B9R0.45 FCCCCCCCCBr LQ1077 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.45 ICCCCCCCCI LQ4434 [1,1,0,0,0,0|1,0,0]=3 179 B9R0.45 NCCCCCCCCN XJ0715 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.45 NCCCCNCCCN LT7216 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.45 OCCCCCCCCCl LQ4379 [1,1,0,0,0,0|0,0,0]=2 182 B9R0.45 OCCCCCCCCO LQ1257 [1,1,0,0,0,0|0,0,0]=2 183 B9R0.46 C=CC(O)CCCCCC JZ5474 [1,1,0,0,0,0|0,0,2]=4 184 B9R0.46 CCCCCCC(=O)CC LQ1506 [1,1,0,0,0,0|0,0,1]=3 185 B9R0.46 CCCCCCC(=O)NC LQ4481 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.46 CCCCCCC(C)C=O XJ3439 [1,1,0,0,0,0|0,0,2]=4 187 B9R0.46 CCCCCCC(O)CC XJ1169 [1,1,0,0,0,0|0,0,0]=2 188 B9R0.46 CCCCCOC(=O)CC XJ1170 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.1 COC(C)COCC(C)O RT13504 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.38 CCCCCCC(C)(C)S JZ5696 [1,1,0,0,0,0|0,1,0]=3 191 B9R0.38 CCCCCCP(=O)(O)O LQ2762 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.38 CCCCCC[N+](C)(C)C JZ2124 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.48 CCCC(C)CCC(C)=O LQ5431 [1,1,0,0,0,0|0,0,2]=4 194 B9R0.55 CC(C)CCCCC(C)C LQ1649 [1,1,0,0,0,0|1,0,0]=3 195 B11R0.6 CC(C)CCCC(C)NC(C)C LQ3703 [0,2,0,0,0,0|2,0,0]=4 196 B11R0.2 CCCCCCC(O)CC(=O)O RT0582 [0,2,0,0,0,0|1,0,1]=4 197 B11R0.30 CC(=O)OCCCCCC(C)C LQ4734 [0,2,0,0,0,0|0,0,2]=4 198 B11R0.30 CN(C)CCCCCCN(C)C LQ4629 [0,2,0,0,0,0|2,0,0]=4 199 B11R0.30 CN(C)CCCCCCN(C)C YH24840 [0,2,0,0,0,0|2,0,0]=4 200 B11R0.40 CCCCCCCCC(C)C#N HL4369 [0,2,0,0,0,0|1,0,0]=3 201 B11R0.40 CCCCCCCCC(C)C=O JZ5272 [0,2,0,0,0,0|0,0,1]=3 202 B11R0.40 COC(=O)CCCCCCCBr JZ5708 [0,2,0,0,0,0|0,0,2]=4 203 B11R0.42 CCCCCCCC(=O)N(C)C XJ1582 [0,2,0,0,0,0|0,0,2]=4 204 B11R0.42 CCCCCCOC(=O)C(C)C LQ2101 [0,2,0,0,0,0|1,0,1]=4 205 B11R0.42 CCCCSCCC(N)C(=O)O RT5768 [0,2,0,0,0,0|1,0,1]=4 206 B11R0.42 CCCCSCCC(N)C(=O)O RT5769 [0,2,0,0,0,0|1,0,1]=4 207 B11R0.42 CCCCSCCC(N)C(=O)O RT5784 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.46 CCCCCN(C)CCC(=O)O RT0386 [0,2,0,0,0,0|1,0,1]=4 209 B11R0.148 C=CCCCCCCCC(=O)O YH34815 [0,2,0,0,0,0|1,0,1]=4 210 B11R0.148 CC(C)CCCCCCCCO RT1257 [0,2,0,0,0,0|1,0,0]=3 211 B11R0.148 CCCCCCCC[13CH2][13C](=O)O RT0583 [0,2,0,0,0,0|1,0,1]=4 212 B11R0.148 CCCCCC\C=C\CC(=O)O LQ5284 [0,2,0,0,0,0|1,0,1]=4 213 B11R0.148 O=C(O)CCCCCCCCBr YH00394 [0,2,0,0,0,0|1,0,1]=4 214 B11R0.148 O=C(O)CCCCCCCCO RT17536 [0,2,0,0,0,0|1,0,1]=4 215 B11R0.148 O=CCCCCCCCC(=O)O YH65123 [0,2,0,0,0,0|1,0,1]=4 216 B11R0.159 CCCCCCCCC(C)(C)C RT1119 [0,2,0,0,0,0|1,0,0]=3 217 B11R0.159 C[N+](C)(C)CCCCCCCBr RT0447 [0,2,0,0,0,0|2,0,0]=4 218 B11R0.154 CCCCCC(O)CC(=O)OC RT1176 [0,2,0,0,0,0|0,0,2]=4 219 B11R0.31 CC(C)(C)CCCCCC(=O)O JZ5723 [0,2,0,0,0,0|1,0,1]=4 220 B11R0.4 CCCCCCCC(=O)OCC XJ0359 [0,2,0,0,0,0|0,0,2]=4 221 B11R0.142 CCCCCCC(O)C(C)CC LQ5331 [0,2,0,0,0,0|1,0,0]=3 222 B11R0.76 CCCCCCC(CC)C(=O)O JZ5660 [0,2,0,0,0,0|1,0,1]=4 223 B9R1.8 BrCCC1CCCCC1 HL0957 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.8 CCCC1CCCCN1 LT0385 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.8 CSCN1CCCCC1 LT0505 [1,0,0,1,0,0|2,0,0]=4 226 B9R1.8 ClCCN1CCCCC1 LQ1947 [1,0,0,1,0,0|2,0,0]=4 227 B9R1.8 ClCCN1CCCCC1 LT6058 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.8 N#CCC1CCCCC1 LX3031 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.8 NCCC1CCOCC1 YH12238 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.8 OCCC1CCCCC1 XJ2696 [1,0,0,1,0,0|0,0,0]=2 231 B9R1.8 OCCC1CCCCN1 HL0894 [1,0,0,1,0,0|1,0,0]=3 232 B9R1.8 OCCC1CCCNC1 HL4509 [1,0,0,1,0,0|1,0,0]=3 233 B9R1.8 OCCC1CCNCC1 JZ3997 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.8 OCCC1CCOCC1 YH02520 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.8 OCCC1CNCCN1 YH55395 [1,0,0,1,0,0|2,0,0]=4 236 B9R1.8 OCCN1CCCCC1 HL2424 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.8 OCCN1CCNCC1 RT15528 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.8 OCCN1CCOCC1 LT6885 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.12 BrCCCN1CCCC1 YH25403 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.12 BrCCCN1CCCC1 YH93306 [1,0,0,1,0,0|2,0,0]=4 243 B9R1.12 CCCCN1CCCC1 HL0386 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.12 ClCCCC1OCCO1 LT0212 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.12 ClCCCN1CCCC1 LX2632 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.12 ClCCCN1CCCC1 XJ5409 [1,0,0,1,0,0|2,0,0]=4 247 B9R1.12 OCCCC1CCCO1 RT15043 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.12 OCCCN1CCCC1 YH43756 [1,0,0,1,0,0|1,0,0]=3 249 B9R1.14 CCN1CCC[C@H]1CN RT3977 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.15 CCC1CCCCC1=O XJ2656 [1,0,0,1,0,0|0,0,2]=4 251 B9R1.15 CN1CCCCC1CO LT0356 [1,0,0,1,0,0|1,0,0]=3 252 B9R1.33 CN1CCCC1CCCl RT4547 [1,0,0,1,0,0|2,0,0]=4 253 B9R1.33 CN1CCCC1CCN LQ5165 [1,0,0,1,0,0|2,0,0]=4 254 B9R1.50 BrC1CCCCCCC1 JZ4634 [1,0,0,1,0,0|1,0,0]=3 255 B9R1.50 O=C1CCCCCCC1 XJ0860 [1,0,0,1,0,0|0,0,2]=4 256 B9R1.50 OC1CCCCCCC1 LQ1369 [1,0,0,1,0,0|0,0,0]=2 257 B9R1.83 C=CCCCCC1CO1 XJ4548 [1,0,0,1,0,0|0,0,2]=4 258 B9R1.83 CCCCCCC1CO1 XJ2325 [1,0,0,1,0,0|0,0,0]=2 259 B9R1.83 CCCCOCC1CO1 XJ2135 [1,0,0,1,0,0|1,0,0]=3 260 B9R1.89 N#CC1CCCCCC1 XJ5102 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.89 NCC1CCCCCC1 RT4713 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.6 CC(C)C1CCCCC1 LQ1361 [1,0,0,1,0,0|1,0,0]=3 263 B9R1.6 CC(O)C1CCCCN1 RT14152 [1,0,0,1,0,0|1,0,0]=3 264 B9R1.6 OB(O)C1CCCCC1 XJ2694 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.13 O=C(O)CC1CCCC1 HL0662 [1,0,0,1,0,0|1,0,1]=4 266 B9R1.148 CC1(O)CCCCCC1 HL2619 [1,0,0,1,0,0|0,0,0]=2 267 B11R1.172 O=C(O)CCCN1CCCC1 YH03399 [0,1,0,1,0,0|1,0,1]=4 268 B11R1.24 CCCCC1CCCC(=O)O1 XJ2453 [0,1,0,1,0,0|1,0,1]=4 269 B11R1.24 CCCCC1CCCC(=O)O1 XJ6789 [0,1,0,1,0,0|1,0,1]=4 270 B11R1.78 CCCCCCC1CC(=O)C1 YH66080 [0,1,0,1,0,0|0,0,2]=4 271 B11R1.86 CC1CNCCC1CC(=O)O YH93177 [0,1,0,1,0,0|1,0,1]=4 272 B11R1.91 O=C(O)CCC1CCCCC1 JZ4115 [0,1,0,1,0,0|1,0,1]=4 273 B11R1.91 O=C(O)CCC1CCCCN1 YH00285 [0,1,0,1,0,0|1,0,1]=4 274 B11R1.91 O=C(O)CCC1CCCNC1 YH41668 [0,1,0,1,0,0|1,0,1]=4 275 B11R1.91 O=C(O)CCN1CCCCC1 LQ4503 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.99 CCCCCCCCC1CO1 JZ2007 [0,1,0,1,0,0|0,0,0]=2 277 B11R1.742 O=C(O)CC1CCCCCC1 JZ2531 [0,1,0,1,0,0|1,0,1]=4 278 B11R1.87 CC(C)(C)C1CCCCC1O LQ3629 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.1121 CC(C)(C)C1CCCNCC1 RT4569 [0,1,0,1,0,0|2,0,0]=4 280 B11R1.40 CNC(C)CC1CCCCC1 RT3982 [0,1,0,1,0,0|1,0,0]=3 281 B11R1.40 NCC(O)CN1CCOCC1 YH59177 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.40 OCC(O)CN1CCOCC1 XJ3087 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O YH98896 [0,1,0,1,0,0|1,0,1]=4 284 B11R1.35 N[C@H](CC1CCCC1)C(=O)O YH98895 [0,1,0,1,0,0|1,0,1]=4 285 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 JZ0331 [0,1,0,1,0,0|1,0,1]=4 286 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 LT6126 [0,1,0,1,0,0|1,0,1]=4 287 B11R2.845 O=C(O)C1CC2CCC1C2 JZ4187 [0,0,0,2,0,0|1,0,1]=4 288 B11R2.533 [C@H]12CCC(C)[C@H](C1)C2(C)C LQ0865 [0,0,0,2,0,0|1,0,0]=3 289 B11R2.432 C1(O)CC2CCC(C1)N2C LL0561 [0,0,0,2,0,0|1,0,0]=3 290 B11R2.432 CN1C2CCC1CC(N)C2 YH65021 [0,0,0,2,0,0|2,0,0]=4 291 B11R2.432 CN1C2CCC1CC(O)C2 JZ0168 [0,0,0,2,0,0|1,0,0]=3 292 B11R2.432 [C@H]12CC[C@H](CC(O)C1)N2C RT15041 [0,0,0,2,0,0|1,0,0]=3