0 B9R0.45 C#CCCCCCCCC XJ1344 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 C=CCCCCCCCC XJ1413 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.45 CCCCC#CCCCC JZ1798 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.45 CCCCCC#CCCO LQ4704 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.45 CCCCCCC#CCO LQ2951 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.45 CCCCCCCCCCl HL2250 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.45 CCCCCCCCCI LQ2646 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.45 CCCCCCCCCN XJ0441 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.45 CCCCCCCCCO HL1569 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.45 CCCCCCCCNC XJ2176 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.45 CCCCCCCCSC LT5548 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 CCCCCCCN=C=O JZ2577 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.45 CCCCCCCN=C=S XJ2667 [0,0,0,0,0,0|1,1,1]=3 13 B9R0.45 CCCCCCOCCO XJ0443 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.45 CCCCCC\C=C\C=O LQ4109 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.45 CCCCOCCCCO RT1173 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.45 CCCCSSCCCC LQ1258 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.45 CCCC\C=C\CCCC JZ3144 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.45 CCOCCCCOCC XJ3853 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.45 CC\C=C/CCCCCO LQ4878 [0,0,0,0,0,0|0,0,4]=4 20 B9R0.45 CC\C=C/CC\C=C\C=O LQ1037 [0,0,0,0,0,0|0,0,4]=4 21 B9R0.45 COCCCCCCOC JZ3663 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.45 FCCCCCCCCBr LQ1077 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.45 ICCCCCCCCI LQ4434 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.45 N#CCCCCCCC#N LQ1256 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.45 NCCCCCCCCN XJ0715 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.45 NCCCCNCCCN LT7216 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.45 OCCCCCCCCCl LQ4379 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.45 OCCCCCCCCO LQ1257 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.4 C#CCCCCCCC LQ2434 [1,0,0,0,0,0|0,0,2]=3 30 B8R0.4 C#CCCCCCCO RT0526 [1,0,0,0,0,0|0,0,3]=4 31 B8R0.4 C=CCCCCCCC HL1481 [1,0,0,0,0,0|0,0,1]=2 32 B8R0.4 CCCCC#CCCO JZ4975 [1,0,0,0,0,0|0,0,3]=4 33 B8R0.4 CCCCCC#CCO XJ4574 [1,0,0,0,0,0|0,0,3]=4 34 B8R0.4 CCCCCCCC#N HL1482 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.4 CCCCCCCCBr XJ0418 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.4 CCCCCCCCC XJ0421 [1,0,0,0,0,0|0,0,1]=2 37 B8R0.4 CCCCCCCCI LQ1253 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.4 CCCCCCCCN YH24980 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.4 CCCCCCCCS XJ0423 [1,0,0,0,0,0|0,1,0]=2 40 B8R0.4 CCCCCCN=C=S JZ2537 [1,0,0,0,0,0|1,1,1]=4 41 B8R0.4 CCCCCCNCC JZ5362 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.4 CCCCCSCCO JZ5724 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.4 CCCCOCCCC HL1566 [1,0,0,0,0,0|1,0,1]=3 44 B8R0.4 CCCCOCCCC LT4297 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.4 CCCC[SnH4+2]CCCC LL0102 [1,0,0,0,0,0|1,0,1]=3 46 B8R0.4 NCCCCCCCN XJ1217 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.4 NCCCCCCCO YH43193 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.4 NCCCCNCCO JZ5587 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 NCCCNCCCN LQ0039 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.4 OCCCNCCCO YH65471 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.4 CC(C)CCCCCCC=O RT1236 [0,1,0,0,0,0|0,0,0]=1 52 B10R0.4 CC(C)CCCCCCCO JZ5690 [0,1,0,0,0,0|0,0,2]=3 53 B10R0.4 CC(C)CCCCCCCO RT1256 [0,1,0,0,0,0|0,0,2]=3 54 B10R0.4 CCCCCCCCC(=O)Cl XJ1343 [0,1,0,0,0,0|0,0,0]=1 55 B10R0.4 CCCCCCCCC(C)O XJ1596 [0,1,0,0,0,0|0,0,2]=3 56 B10R0.4 CCCCCCCCN(C)C JZ3098 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.4 CCCCCCCOC(=O)Cl LQ4802 [0,1,0,0,0,0|1,0,0]=2 58 B10R0.4 CCCCCCCOC(C)=O XJ0432 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.4 NCCCCCCCC(=O)O HL0564 [0,1,0,0,0,0|1,0,0]=2 60 B10R0.4 NCCCCCCNC(=O)O HL1567 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.4 O=C(O)CCCCCCCBr LQ4065 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.4 O=C(O)CCCCCCCO YH17816 [0,1,0,0,0,0|1,0,0]=2 63 B10R0.71 CCC#CCCCCCCC XJ5881 [0,1,0,0,0,0|1,0,2]=4 64 B10R0.71 CCC#CCCCCCCCl XJ4418 [0,1,0,0,0,0|1,0,2]=4 65 B10R0.71 CCCCCCC#CCCO LQ5236 [0,1,0,0,0,0|0,0,3]=4 66 B10R0.71 CCCCCCCC#CCO XJ2636 [0,1,0,0,0,0|0,0,3]=4 67 B10R0.71 CCCCCCCCCC=O XJ0447 [0,1,0,0,0,0|0,0,0]=1 68 B10R0.71 CCCCCCCCCCC XJ1598 [0,1,0,0,0,0|1,0,1]=3 69 B10R0.71 CCCCCCCCCCCl HL0566 [0,1,0,0,0,0|1,0,1]=3 70 B10R0.71 CCCCCCCCCCI HL2088 [0,1,0,0,0,0|1,0,1]=3 71 B10R0.71 CCCCCCCCCCN XJ1998 [0,1,0,0,0,0|1,0,1]=3 72 B10R0.71 CCCCCCCCN=C=O LQ2430 [0,1,0,0,0,0|0,0,1]=2 73 B10R0.71 CCCCCCCCSC#N LQ4161 [0,1,0,0,0,0|1,0,1]=3 74 B10R0.71 CCCCCSCCCCC XJ1414 [0,1,0,0,0,0|1,0,1]=3 75 B10R0.71 CCCCC\C=C/CCC=O LQ4270 [0,1,0,0,0,0|0,0,1]=2 76 B10R0.71 CCCCC\C=C/CCCO XJ5773 [0,1,0,0,0,0|0,0,3]=4 77 B10R0.71 CCCCC\C=C\C=C\C=O LQ2138 [0,1,0,0,0,0|0,0,3]=4 78 B10R0.71 COCCCCCCCCO RT0565 [0,1,0,0,0,0|0,0,2]=3 79 B10R0.71 ClCCCCCCCCCCl LQ1473 [0,1,0,0,0,0|1,0,1]=3 80 B10R0.71 ClCCCCOCCCCCl LQ3094 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.71 NCCCCCCCCCN XJ1219 [0,1,0,0,0,0|1,0,1]=3 82 B10R0.71 NCCCCNCCCCN RT0708 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.71 OCCCCCCCCCBr LT6213 [0,1,0,0,0,0|0,0,2]=3 84 B10R0.71 SCCCCCCCCCS LQ2504 [0,1,0,0,0,0|0,1,1]=3 85 B10R0.74 CCCCCCCC(=N)OC RT1143 [0,1,0,0,0,0|2,0,1]=4 86 B10R0.74 CCCCCCCC(=O)CC LQ1524 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.74 CCCCCCCC(=O)OC XJ0374 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.74 CCCCCCCC(C)CO LQ5052 [0,1,0,0,0,0|0,0,2]=3 89 B10R0.74 CCCCCCCC(O)CC JZ4657 [0,1,0,0,0,0|1,0,1]=3 90 B10R0.74 CCCCCCOC(=O)C=O RT0562 [0,1,0,0,0,0|1,0,1]=3 91 B10R0.91 CCCCCC(=O)CCCC LQ1465 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.4 C=CCC1CCCCC1=O HL3240 [0,0,0,1,0,0|0,0,2]=3 93 B10R1.4 C=CCC1CCCCC1=O LQ0242 [0,0,0,1,0,0|0,0,2]=3 94 B10R1.4 CN1CCCCC1CCCl LQ5449 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.4 CN1CCCCC1CCO LT0504 [0,0,0,1,0,0|1,0,2]=4 96 B10R1.17 C1CCCCN1CCCC LT6043 [0,0,0,1,0,0|2,0,1]=4 97 B10R1.17 CCCCC1CCCCC1 LQ1886 [0,0,0,1,0,0|1,0,1]=3 98 B10R1.17 ClCCCN1CCCCC1 LQ2937 [0,0,0,1,0,0|2,0,1]=4 99 B10R1.17 N#CCCC1CCCCC1 YH34124 [0,0,0,1,0,0|1,0,1]=3 100 B10R1.17 O=CCCC1CCCCC1 RT17549 [0,0,0,1,0,0|0,0,0]=1 101 B10R1.17 OCCCN1CCCCC1 LL0377 [0,0,0,1,0,0|1,0,2]=4 102 B10R1.19 C=CN1CCCCCC1=O XJ2095 [0,0,0,1,0,0|1,0,2]=4 103 B10R1.20 CN[C@@H]1CCCC[C@H]1NC LL1140 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.20 CN[C@@H]1CCCC[C@H]1NC YH65566 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.20 CN[C@H]1CCCC[C@@H]1NC XJ6524 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.20 ClC[C@@H]1CCCC[C@H]1CCl RT11040 [0,0,0,1,0,0|2,0,1]=4 107 B10R1.20 NC[C@@H]1CCCC[C@H]1CN LL1285 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.20 NC[C@H]1CCCC[C@H]1CN LL1284 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.20 OC[C@H]1CCCC[C@@H]1CO YH49978 [0,0,0,1,0,0|1,0,2]=4 110 B10R1.29 COCCN1CCCC1=O LQ5207 [0,0,0,1,0,0|2,0,0]=3 111 B10R1.29 O=C1CCCN1CCCO LL1008 [0,0,0,1,0,0|2,0,0]=3 112 B10R1.29 O=C1OCCN1CCCO RT0125 [0,0,0,1,0,0|3,0,0]=4 113 B10R1.78 O=C1CCCCCCCN1 JZ4295 [0,0,0,1,0,0|1,0,0]=2 114 B10R1.85 ClCCN1CCCCCC1 JZ1940 [0,0,0,1,0,0|2,0,1]=4 115 B10R1.85 ClCCN1CCCCCC1 LQ4524 [0,0,0,1,0,0|2,0,1]=4 116 B10R1.85 NCCN1CCCCCC1 YH66494 [0,0,0,1,0,0|2,0,1]=4 117 B10R1.161 O=CC1CCCCCCC1 YH12934 [0,0,0,1,0,0|0,0,0]=1 118 B10R1.161 ON=C1CCCCCCC1 JZ4368 [0,0,0,1,0,0|1,0,2]=4 119 B7R0.1 C#CCCCCCC LQ1243 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.1 CCCC#CCCC JZ1797 [2,0,0,0,0,0|0,0,2]=4 121 B7R0.1 CCCCCCC#N LQ1245 [2,0,0,0,0,0|1,0,1]=4 122 B7R0.1 CCCCCCCC XJ0405 [2,0,0,0,0,0|0,0,0]=2 123 B7R0.1 CCCCCCCCl LQ1244 [2,0,0,0,0,0|1,0,0]=3 124 B7R0.1 CCCCCCCN XJ0408 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.1 CCCCCCCS HL0937 [2,0,0,0,0,0|0,1,0]=3 126 B7R0.1 CCCCCC[Mg]Cl LQ5137 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.1 CCCCCN=C=O JZ2397 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.1 CCCCCNCC JZ5218 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.1 CCCCCON=O LQ0831 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.1 CCCCNCCC LQ4205 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.1 CCCCOCCO XJ0413 [2,0,0,0,0,0|1,0,1]=4 132 B7R0.1 CCCSSCCC LQ1250 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.1 CCC\C=C/CCC LQ3284 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.1 CCNCCNCC XJ0412 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.1 CCOCCCCCl XJ5238 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 CCOCCCCO LT2386 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.1 C\C=C\CCCCC XJ0407 [2,0,0,0,0,0|0,0,2]=4 138 B7R0.1 ClCCCCCCI XJ5164 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.1 FCCCCCCBr XJ0714 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.1 ICCCCCCI LQ1246 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.1 NCCCCCCBr RT0122 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 NCCCCCCN RT0396 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 OCCCCCCCl LT3732 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.1 OCCCCCCS HL0924 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.1 SCCCCCCS JZ4451 [2,0,0,0,0,0|1,1,0]=4 146 B9R0.2 CC(C)CCCCCC=O RT1248 [1,1,0,0,0,0|0,0,0]=2 147 B9R0.2 CC(C)CCCCCCO XJ2143 [1,1,0,0,0,0|0,0,1]=3 148 B9R0.2 CC(C)CCCCCCO XJ4926 [1,1,0,0,0,0|0,0,1]=3 149 B9R0.2 CCCCCC#CC(=O)O XJ2930 [1,1,0,0,0,0|0,0,2]=4 150 B9R0.2 CCCCCCCC(=O)[O-] HL2823 [1,1,0,0,0,0|0,0,0]=2 151 B9R0.2 CCCCCCCC(=O)[O-] HL4498 [1,1,0,0,0,0|0,0,0]=2 152 B9R0.2 CCCCCCCC(=O)[O-] LQ1024 [1,1,0,0,0,0|0,0,0]=2 153 B9R0.2 CCCCCCCC(C)=O LQ1471 [1,1,0,0,0,0|0,0,0]=2 154 B9R0.2 CCCCCCCC(C)Br XJ2055 [1,1,0,0,0,0|0,0,1]=3 155 B9R0.2 CCCCCCCC(C)C XJ1411 [1,1,0,0,0,0|0,0,1]=3 156 B9R0.2 CCCCCCCC(C)O LQ1241 [1,1,0,0,0,0|0,0,1]=3 157 B9R0.2 CN(C)CCCCCCO RT0044 [1,1,0,0,0,0|1,0,1]=4 158 B9R0.2 O=C(O)CCCCCCBr YH53191 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.2 O=C(O)CCCCCCO RT17679 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.5 CCCCCC(=O)CCC XJ2740 [1,1,0,0,0,0|0,0,2]=4 161 B9R0.5 CCCCCC(O)CCC LQ2960 [1,1,0,0,0,0|0,0,1]=3 162 B9R0.18 CCCCC(=O)CCCC XJ0861 [1,1,0,0,0,0|0,0,2]=4 163 B9R0.46 C=CC(O)CCCCCC JZ5474 [1,1,0,0,0,0|0,0,1]=3 164 B9R0.46 CCCCCCC(=O)CC LQ1506 [1,1,0,0,0,0|0,0,2]=4 165 B9R0.46 CCCCCCC(C)C=O XJ3439 [1,1,0,0,0,0|0,0,0]=2 166 B9R0.46 CCCCCCC(O)CC XJ1169 [1,1,0,0,0,0|0,0,1]=3 167 B11R0.2 CCCCCCC(O)CC(=O)O RT0582 [0,2,0,0,0,0|0,0,0]=2 168 B11R0.81 CCCCCCC(O)CCCC XJ5312 [0,2,0,0,0,0|1,0,1]=4 169 B11R0.142 CCCCCCC(O)C(C)CC LQ5331 [0,2,0,0,0,0|1,0,1]=4 170 B11R0.155 CCCCCC(O)C(C)CCC LL2595 [0,2,0,0,0,0|1,0,1]=4 171 B11R0.176 CCOC(=O)CCCCC(=O)Cl YH66699 [0,2,0,0,0,0|1,0,1]=4 172 B11R0.30 CC(=O)NCCCCCC(=O)O LQ0010 [0,2,0,0,0,0|1,0,1]=4 173 B11R0.30 CC(=O)OCCCCCC(C)C LQ4734 [0,2,0,0,0,0|1,0,0]=3 174 B11R0.30 CC(C)CCCCCO[N+](=O)[O-] HL4501 [0,2,0,0,0,0|2,0,0]=4 175 B11R0.30 CC(C)\C=C/CCCCC(=O)O RT0249 [0,2,0,0,0,0|0,0,2]=4 176 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl LQ3369 [0,2,0,0,0,0|1,0,1]=4 177 B11R0.30 O=C(O)CCCCCCC(=O)O HL1863 [0,2,0,0,0,0|1,0,1]=4 178 B11R0.40 CCCCCCC#CC(=O)OC XJ0417 [0,2,0,0,0,0|0,0,2]=4 179 B11R0.40 CCCCCCCCC(C)C#N HL4369 [0,2,0,0,0,0|1,0,1]=4 180 B11R0.40 CCCCCCCCC(C)C=O JZ5272 [0,2,0,0,0,0|0,0,0]=2 181 B11R0.40 COC(=O)CCCCCCCBr JZ5708 [0,2,0,0,0,0|1,0,0]=3 182 B11R0.42 CCCCSCCC(N)C(=O)O RT5768 [0,2,0,0,0,0|1,0,0]=3 183 B11R0.42 CCCCSCCC(N)C(=O)O RT5769 [0,2,0,0,0,0|1,0,0]=3 184 B11R0.42 CCCCSCCC(N)C(=O)O RT5784 [0,2,0,0,0,0|1,0,0]=3 185 B11R0.46 CCCCCC(=O)NCC(=O)O RT0380 [0,2,0,0,0,0|1,0,1]=4 186 B11R0.46 CCCCCN(C)CCC(=O)O RT0386 [0,2,0,0,0,0|1,0,0]=3 187 B11R0.46 CCCCOC(=O)CCC(C)=O LT4350 [0,2,0,0,0,0|1,0,1]=4 188 B11R0.148 C=CCCCCCCCC(=O)O YH34815 [0,2,0,0,0,0|0,0,1]=3 189 B11R0.148 CC(C)CCCCCCCCO RT1257 [0,2,0,0,0,0|0,0,2]=4 190 B11R0.148 CCCCCCCCOC(=O)Cl XJ3315 [0,2,0,0,0,0|0,0,0]=2 191 B11R0.148 CCCCCCCCOC(=S)[S-] RT16055 [0,2,0,0,0,0|0,1,0]=3 192 B11R0.148 CCCCCCCC[13CH2][13C](=O)O RT0583 [0,2,0,0,0,0|0,0,0]=2 193 B11R0.148 CCCCCC\C=C\CC(=O)O LQ5284 [0,2,0,0,0,0|0,0,1]=3 194 B11R0.148 COCCOCCOCC(=O)O XJ4209 [0,2,0,0,0,0|2,0,0]=4 195 B11R0.148 O=C(O)CCCCCCCCBr YH00394 [0,2,0,0,0,0|0,0,0]=2 196 B11R0.148 O=C(O)CCCCCCCCO RT17536 [0,2,0,0,0,0|0,0,0]=2 197 B11R0.148 O=CCCCCCCCC(=O)O YH65123 [0,2,0,0,0,0|0,0,1]=3 198 B11R0.159 CCCCCCCCC(C)(C)C RT1119 [0,2,0,0,0,0|1,0,1]=4 199 B11R0.159 CCCCCCCCS(=O)(=O)[O-] JZ2712 [0,2,0,0,0,0|1,0,0]=3 200 B11R0.3 C#CCCCCCCCCCC XJ1346 [0,2,0,0,0,0|1,0,1]=4 201 B11R0.3 C=CCCCCCCCCC=O HL1394 [0,2,0,0,0,0|0,0,0]=2 202 B11R0.3 C=CCCCCCCCCCC JZ5704 [0,2,0,0,0,0|1,0,0]=3 203 B11R0.3 CCCCCC#CCCCCC XJ3207 [0,2,0,0,0,0|1,0,1]=4 204 B11R0.3 CCCCCCCCCCCBr LQ1339 [0,2,0,0,0,0|1,0,1]=4 205 B11R0.3 CCCCCCCCCCCC HL1389 [0,2,0,0,0,0|1,0,1]=4 206 B11R0.3 CCCCCCCCCCCI LQ2647 [0,2,0,0,0,0|1,0,1]=4 207 B11R0.3 CCCCCCCCCCCN LQ3242 [0,2,0,0,0,0|1,0,1]=4 208 B11R0.3 CCCCCCCCCCCO HL1391 [0,2,0,0,0,0|0,0,2]=4 209 B11R0.3 CCCCCCCCCCOC RT0580 [0,2,0,0,0,0|0,0,2]=4 210 B11R0.3 CCCCCCCCCCSC XJ4706 [0,2,0,0,0,0|0,1,1]=4 211 B11R0.3 CCCCCCCCCN=C=S XJ2674 [0,2,0,0,0,0|0,1,1]=4 212 B11R0.3 CCCCCCCCSCCO JZ2326 [0,2,0,0,0,0|0,0,2]=4 213 B11R0.3 CCCCCC\C=C\C=C\C=O JZ3654 [0,2,0,0,0,0|0,0,2]=4 214 B11R0.3 FCCCCCCCCCCBr HL1680 [0,2,0,0,0,0|1,0,1]=4 215 B11R0.3 NCCCCCCCCCCBr RT0438 [0,2,0,0,0,0|1,0,1]=4 216 B11R0.3 NCCCCCCCCCCO RT0205 [0,2,0,0,0,0|0,0,2]=4 217 B11R0.140 CCCCCC(O)CCCCC XJ4725 [0,2,0,0,0,0|1,0,1]=4 218 B9R1.5 NC1CCCCNC1=O YH41189 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.5 N[C@H]1CCCCNC1=O JZ0849 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.5 O=C1CCCCCN1Br XJ2178 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.8 BrCCC1CCCCC1 HL0957 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.8 C=COC1CCCCC1 LT4678 [1,0,0,1,0,0|1,0,1]=4 223 B9R1.8 CCCC1CCCCN1 LT0385 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.8 ClCCN1CCCCC1 LQ1947 [1,0,0,1,0,0|2,0,0]=4 225 B9R1.8 ClCCN1CCCCC1 LT6058 [1,0,0,1,0,0|2,0,0]=4 226 B9R1.8 N#CCC1CCCCC1 LX3031 [1,0,0,1,0,0|1,0,1]=4 227 B9R1.8 NCCC1=CCCCC1 HL2542 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.8 NCCC1CCOCC1 YH12238 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.8 OCCC1CCCCC1 XJ2696 [1,0,0,1,0,0|0,0,1]=3 230 B9R1.8 OCCC1CCCCN1 HL0894 [1,0,0,1,0,0|1,0,1]=4 231 B9R1.8 OCCC1CCCNC1 HL4509 [1,0,0,1,0,0|1,0,1]=4 232 B9R1.8 OCCC1CCNCC1 JZ3997 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.8 OCCC1CCOCC1 YH02520 [1,0,0,1,0,0|1,0,1]=4 234 B9R1.8 OCCN1CCCCC1 HL2424 [1,0,0,1,0,0|1,0,1]=4 235 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [1,0,0,1,0,0|1,0,1]=4 236 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [1,0,0,1,0,0|1,0,1]=4 237 B9R1.12 BrCCCN1CCCC1 YH25403 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.12 BrCCCN1CCCC1 YH93306 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.12 CCCCN1CCCC1 HL0386 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.12 ClCCCN1CCCC1 LX2632 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.12 ClCCCN1CCCC1 XJ5409 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.12 O=C\C=C\C1CCCC1 YH66556 [1,0,0,1,0,0|0,0,2]=4 243 B9R1.12 OCCCC1CCCO1 RT15043 [1,0,0,1,0,0|1,0,1]=4 244 B9R1.12 OCCCN1CCCC1 YH43756 [1,0,0,1,0,0|1,0,1]=4 245 B9R1.14 CCN1CCC[C@H]1CN RT3977 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.15 CCC1CCCCC1=O XJ2656 [1,0,0,1,0,0|0,0,0]=2 247 B9R1.15 CN1CCCCC1CO LT0356 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.33 CN1CCCC1CCCl RT4547 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.33 CN1CCCC1CCN LQ5165 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.50 BrC1CCCCCCC1 JZ4634 [1,0,0,1,0,0|1,0,0]=3 251 B9R1.50 O=C1CCCCCCC1 XJ0860 [1,0,0,1,0,0|0,0,0]=2 252 B9R1.50 O=C1CCCCCCN1 YH13198 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.50 OC1CCCCCCC1 LQ1369 [1,0,0,1,0,0|0,0,1]=3 254 B9R1.83 C=CCCCCC1CO1 XJ4548 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.83 CCCCCCC1CO1 XJ2325 [1,0,0,1,0,0|0,0,1]=3 256 B9R1.83 CCCCOCC1CO1 XJ2135 [1,0,0,1,0,0|1,0,1]=4 257 B9R1.89 N#CC1CCCCCC1 XJ5102 [1,0,0,1,0,0|1,0,1]=4 258 B9R1.89 NCC1CCCCCC1 RT4713 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.89 O=CN1CCCCCC1 JZ5623 [1,0,0,1,0,0|1,0,0]=3 260 B11R1.16 N[C@@H](CCO)C1CCCCC1 RT17433 [0,1,0,1,0,0|0,0,2]=4 261 B11R1.16 N[C@H](CCO)C1CCCCC1 RT17432 [0,1,0,1,0,0|0,0,2]=4 262 B11R1.24 CCCCC1CCCC(=O)O1 XJ2453 [0,1,0,1,0,0|0,0,0]=2 263 B11R1.24 CCCCC1CCCC(=O)O1 XJ6789 [0,1,0,1,0,0|0,0,0]=2 264 B11R1.78 CCCCCCC1CC(=O)C1 YH66080 [0,1,0,1,0,0|0,0,0]=2 265 B11R1.117 S=C=NC1CCCCCCC1 LQ4754 [0,1,0,1,0,0|0,1,1]=4 266 B11R1.180 CCCCCC1CCCC1=O JZ2624 [0,1,0,1,0,0|0,0,0]=2 267 B11R1.86 CC1CNCCC1CC(=O)O YH93177 [0,1,0,1,0,0|1,0,0]=3 268 B11R1.91 O=C(O)CCC1CCCCC1 JZ4115 [0,1,0,1,0,0|0,0,0]=2 269 B11R1.91 O=C(O)CCC1CCCCN1 YH00285 [0,1,0,1,0,0|1,0,0]=3 270 B11R1.91 O=C(O)CCC1CCCNC1 YH41668 [0,1,0,1,0,0|1,0,0]=3 271 B11R1.91 O=C(O)CCN1CCCCC1 LQ4503 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.99 CCCCCCCCC1CO1 JZ2007 [0,1,0,1,0,0|0,0,2]=4 273 B11R1.172 O=C(O)CCCN1CCCC1 YH03399 [0,1,0,1,0,0|1,0,0]=3 274 B11R1.742 O=C(O)CC1CCCCCC1 JZ2531 [0,1,0,1,0,0|0,0,0]=2 275 B11R1.28 CCCCCC1CCCCC1 LQ2653 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.28 NCCCCC1CCNCC1 YH16623 [0,1,0,1,0,0|1,0,1]=4 277 B11R1.28 NCCCNC1CCCCC1 XJ2460 [0,1,0,1,0,0|1,0,1]=4 278 B11R1.40 CNC(C)CC1CCCCC1 RT3982 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.222 COC(=O)C1CCCCC1=O XJ5412 [0,1,0,1,0,0|1,0,1]=4 280 B11R1.756 CCCCCC1(O)CCCC1 LL2532 [0,1,0,1,0,0|1,0,1]=4 281 B11R1.900 CCCCC1(O)CCCCC1 LQ2876 [0,1,0,1,0,0|1,0,1]=4 282 B11R2.20 C1CCC2CNCCC2C1 LT2059 [0,0,0,2,0,0|1,0,1]=4 283 B11R2.20 C1CCC2NCCCC2C1 HL2092 [0,0,0,2,0,0|1,0,1]=4 284 B11R2.20 [C@H]12CCCC[C@@H]1CCNC2 LT2200 [0,0,0,2,0,0|1,0,1]=4 285 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 LT2051 [0,0,0,2,0,0|1,0,1]=4 286 B11R2.565 C12CCCC(CCC1)B2Br JZ5504 [0,0,0,2,0,0|2,0,0]=4 287 B11R2.15 O=NN1CC2CCCC2C1 RT15519 [0,0,0,2,0,0|2,0,0]=4