0 B8R0.7 C=CCCCCC(=O)O XJ1588 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CC(C)CCCCC=O RT0529 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.7 CC(C)CCCCCO RT1226 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.7 CCCCCCC(C)Br LQ1034 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.7 CCCCCCC(C)N LQ1330 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CCCCCCC(C)O XJ2646 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.7 CCCCCCC(C)O XJ2647 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.7 CCCCCCC(C)S XJ2345 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.7 CCCCCCN(C)C JZ2511 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.7 CCCCCC[C@H](C)O XJ6892 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 CCCCOCC(C)O JZ5031 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.7 CN(C)CCOCCO LQ1936 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 C#CCCCCCC LQ1243 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.1 C#CCCCCCO RT14015 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 C=CCCCCC#N HL2868 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 C=CCSSCCC LT3401 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.1 CCCCCCC#N LQ1245 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.1 CCCCCCCC XJ0405 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.1 CCCCCCCCl LQ1244 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.1 CCCCCCCN XJ0408 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.1 CCCCCCCS HL0937 [1,0,0,0,0,0|0,1,1]=3 21 B7R0.1 CCCCCC[Mg]Cl LQ5137 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 CCCCCN=C=O JZ2397 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.1 CCCCCNCC JZ5218 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 CCCCCON=O LQ0831 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 CCCCNCCC LQ4205 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 CCCCOCCO XJ0413 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.1 CCCCSCC#N XJ6193 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 CCOCCCCCl XJ5238 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCOCCCCO LT2386 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.1 C\C=C\CCCCC XJ0407 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.1 ClCCCCCCI XJ5164 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 FCCCCCCBr XJ0714 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 ICCCCCCI LQ1246 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 N#CCCCCCN XJ2152 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 NCCCCCCBr RT0122 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 NCCCCCCN RT0396 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 OCCCCCCCl LT3732 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 OCCCCCCS HL0924 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 SCCCCCCS JZ4451 [1,0,0,0,0,0|1,1,1]=4 40 B7R0.4 C(=O)OCCC(C)C LL0422 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.4 C=CCCCC(C)C JZ3497 [1,0,0,0,0,0|0,0,1]=2 42 B7R0.4 CC(C)CCCC=O RT0513 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.4 CC(C)CCCCO RT0516 [1,0,0,0,0,0|0,0,1]=2 44 B7R0.4 CC(C)OCCCN LT2607 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 CCCCCC(C)C HL0115 [1,0,0,0,0,0|0,0,1]=2 46 B7R0.4 CCCCCC(C)N JZ2985 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.4 CCCCCC(C)N XJ0515 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.4 CCCCC[C@H](C)O JZ2825 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.4 CCCNCC(C)O RT1462 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 CCNCCN(C)C XJ0516 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.4 CN(C)CCCCN JZ2305 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 CS(=O)CCCCN RT4961 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.4 C[S@@](=O)CCCCN RT4965 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.1 C=CC(C)CCC=C(C)C LT5133 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.2 CC(C)CCCCCC=O RT1248 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.2 CC(C)CCCCCCO XJ2143 [0,1,0,0,0,0|0,0,2]=3 57 B9R0.2 CC(C)CCCCCCO XJ4926 [0,1,0,0,0,0|0,0,2]=3 58 B9R0.2 CCCCCCCC(C)Br XJ2055 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.2 CCCCCCCC(C)C XJ1411 [0,1,0,0,0,0|1,0,1]=3 60 B9R0.2 CCCCCCCC(C)O LQ1241 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.2 CN(C)CCCCCCO RT0044 [0,1,0,0,0,0|1,0,2]=4 62 B9R0.38 CCCCCCC(C)(C)S JZ5696 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.38 CCCCCC[N+](C)(C)C JZ2124 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.38 C[N+](C)(C)CCCCCBr RT0389 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.46 CCCCCCC(C)C=O XJ3439 [0,1,0,0,0,0|1,0,2]=4 66 B9R0.46 CCCCCCC(O)CC XJ1169 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.47 C(=O)CCC[C@H](N)C(=O)O XJ1581 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.55 CC(=O)NCCCC(=O)O XJ2382 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.55 CC(C)CCCCC(=O)[O-] LL1076 [0,1,0,0,0,0|0,0,0]=1 70 B9R0.55 CC(C)CCCCC(=O)[O-] XJ6478 [0,1,0,0,0,0|0,0,0]=1 71 B9R0.55 CC(C)CCCCC(C)C LQ1649 [0,1,0,0,0,0|1,0,1]=3 72 B9R0.55 CN(C)CCCCN(C)C XJ0398 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.55 NC(=O)CCCCC(N)=O HL0293 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.55 O=C(Cl)CCCCC(=O)Cl XJ0397 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.55 O=C(O)CCCCC(=O)O LQ4458 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.55 O=C(O)CCCCC(=O)O RT17669 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.55 O=C([O-])CCCCC(=O)[O-] JZ5289 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.55 O=C([O-])CCCCC(=O)[O-] LT4846 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.2 CN1CCCC(CN)C1 YH35231 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.6 CC(C)C1CCCCC1 LQ1361 [0,0,0,1,0,0|1,0,1]=3 81 B9R1.6 CC(C)[C@@H]1CNCCN1 LX2201 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.6 CC(C)[C@@H]1CNCCN1 YH45336 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.6 CC(O)C1CCCCN1 RT14152 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.13 CC(C)NC1CCNC1 YH31034 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.41 CC(C)N1CCCC1=O HL2628 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.50 BrC1CCCCCCC1 JZ4634 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.50 OC1CCCCCCC1 LQ1369 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.83 C=CCCCCC1CO1 XJ4548 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.83 CCCCCCC1CO1 XJ2325 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.148 CC1(O)CCCCCC1 HL2619 [0,0,0,1,0,0|2,0,1]=4 91 B6R0.6 C#CCCCCC HL0285 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.6 C=CCCCCCl LQ1525 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.6 CCCCCC#N HL0286 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.6 CCCCCCCl HL1956 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.6 CCCCCCI JZ4066 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.6 CCCCCCO XJ0385 [2,0,0,0,0,0|0,0,1]=3 97 B6R0.6 CCCCCCS XJ0387 [2,0,0,0,0,0|0,1,0]=3 98 B6R0.6 CCCCCNC LT5645 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.6 CCCCC[Mg]Cl JZ2964 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.6 CCCCOCC HL0289 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.6 CCCCOCCl LT4489 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.6 CCCCSCC JZ4067 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.6 CCCNCCC RT1163 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.6 CCC\C=C\C=O LQ3146 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.6 CCNCCCN HL4191 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.6 CCOCCCCl XJ5236 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.6 ClCCCCCI XJ5888 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.6 ICCCCCI HL0288 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.6 NCCCCCBr RT0436 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.6 NCCCCCN LQ0829 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.6 NCCCCCO HL2296 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 O=CCCCC=O LT7833 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.6 O=CCCCC=O YH24624 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.6 O=CCCCCO YH66094 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.6 OCCCCCCl JZ2653 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 C#CCCC(C)C JZ1939 [2,0,0,0,0,0|0,0,2]=4 117 B6R0.4 C=CCCC(C)C JZ2300 [2,0,0,0,0,0|0,0,1]=3 118 B6R0.4 CC(Br)CCCBr HL0239 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CC(C)CCC=O RT0502 [2,0,0,0,0,0|0,0,0]=2 120 B6R0.4 CC(C)CCCBr HL0240 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.4 CC(C)COC=O XJ0953 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 CC(C)OCCO LQ0441 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.4 CC(N)CCCO RT0123 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.4 CCCCC(C)Br HL2516 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.4 CCCSC(C)C HL2844 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.4 CN(C)CCCBr LQ5309 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 CN(C)CCCBr YH08472 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 CN(C)CCCCl HL0729 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CN(C)CCCCl HL2943 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 CN(C)CCCCl LQ0440 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.4 CN(C)CCCN RT1449 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.4 CN(C)CCCO LT2968 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.4 CNCCN(C)C XJ0598 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 COCCC(C)O LT2442 [2,0,0,0,0,0|2,0,0]=4 135 B8R0.1 C=CCC(O)CCCC LQ5051 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.4 C#CCCCCCCC LQ2434 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.4 C#CCCCCCCO RT0526 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.4 C=CCCCCCCC HL1481 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.4 CCCCCCCC#N HL1482 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.4 CCCCCCCCBr XJ0418 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.4 CCCCCCCCC XJ0421 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.4 CCCCCCCCI LQ1253 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.4 CCCCCCCCN YH24980 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.4 CCCCCCCCS XJ0423 [1,1,0,0,0,0|0,1,1]=4 145 B8R0.4 CCCCCCN=C=S JZ2537 [1,1,0,0,0,0|0,1,1]=4 146 B8R0.4 CCCCCCNCC JZ5362 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.4 CCCCCSCCO JZ5724 [1,1,0,0,0,0|0,0,2]=4 148 B8R0.4 CCCCOCCCC HL1566 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.4 CCCCOCCCC LT4297 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.4 CCCC[SnH4+2]CCCC LL0102 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.4 NCCCCCCCN XJ1217 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.4 NCCCCCCCO YH43193 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.6 C#CC(O)CCCCC LQ1462 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.6 C=CC(O)CCCCC HL2529 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.6 CCCCCC(O)CC HL0071 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.6 CCCCOC(=O)C=O LQ3022 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.6 COC(=O)CCCC=O YH09376 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.8 CCCCC(O)C(C)C LQ4085 [1,1,0,0,0,0|0,0,1]=3 159 B8R0.9 CC(C)NCC(O)CO RT4911 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.9 CCC(C)CCC(C)N YH66030 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.21 CC(C)(S)CCOC=O RT1370 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [1,1,0,0,0,0|1,0,1]=4 163 B8R0.28 CC(=O)NCCC(C)C YH32371 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.28 CC(C)CCCC(=O)O HL0282 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.28 CC(C)CCOC(=S)[S-] LQ1523 [1,1,0,0,0,0|1,1,0]=4 166 B8R0.28 CC(C)CCO[N+](=O)[O-] XJ0969 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.28 CC(C)COCC(C)C HL0283 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.28 CC(C)C[AlH3+]CC(C)C JZ4448 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.28 CC(C)C[AlH3+]CC(C)C XJ1920 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [1,1,0,0,0,0|0,0,2]=4 171 B8R0.28 CC(O)CCCC(=O)O RT0557 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.28 CN(C)CCCC(=O)O HL4424 [1,1,0,0,0,0|1,0,0]=3 173 B10R0.3 C(=O)CC(C)CCC=C(C)C XJ0351 [0,2,0,0,0,0|0,0,1]=3 174 B10R0.3 CC(C)CCCC(C)CCBr RT0647 [0,2,0,0,0,0|1,0,1]=4 175 B10R0.3 CC(C)CCCC(C)CCO XJ0349 [0,2,0,0,0,0|0,0,2]=4 176 B10R0.3 C\C(=C/CO)CCCC(C)C RT0559 [0,2,0,0,0,0|0,0,2]=4 177 B10R0.44 C=CC(C)CC(=O)CC(C)C RT1230 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.60 C=CC(C)CCCC(C)(C)O LT7715 [0,2,0,0,0,0|1,0,0]=3 179 B10R0.65 CCC(C)(O)CCCC(C)C LL0119 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.4 CC(C)CCCCCCC=O RT1236 [0,2,0,0,0,0|0,0,0]=2 181 B10R0.4 CC(C)CCCCCCCO JZ5690 [0,2,0,0,0,0|0,0,2]=4 182 B10R0.4 CC(C)CCCCCCCO RT1256 [0,2,0,0,0,0|0,0,2]=4 183 B10R0.55 COC(=O)CCCCC(=O)O HL0266 [0,2,0,0,0,0|1,0,1]=4 184 B10R0.74 CCCCCCCC(C)CO LQ5052 [0,2,0,0,0,0|1,0,1]=4 185 B10R0.78 CC(C)CCN(C)CCC#N RT4873 [0,2,0,0,0,0|1,0,1]=4 186 B10R0.97 CC(C)CCCCCC(=O)O JZ5722 [0,2,0,0,0,0|0,0,0]=2 187 B10R0.97 CC(C)CCNCCC(C)C HL1953 [0,2,0,0,0,0|1,0,1]=4 188 B10R0.97 CC(C)CCOCCC(C)C HL1954 [0,2,0,0,0,0|1,0,1]=4 189 B10R0.97 CC(C)CCSCCC(C)C HL1955 [0,2,0,0,0,0|1,0,1]=4 190 B10R0.96 CC(=O)CC(=O)OCC(C)C XJ3346 [0,2,0,0,0,0|1,0,1]=4 191 B10R0.41 CCCCCCC(OC)OC LQ3381 [0,2,0,0,0,0|1,0,1]=4 192 B8R1.2 CCC1CCCCC1 LQ1884 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.2 CCC1CCCCN1 HL0893 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.2 Cl[Mg]C1CCCCC1 LQ1557 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.2 N#CC1CCCCC1 XJ1358 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.2 NNC1CCCCC1 LX2848 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 NNC1CCCCC1 YH12039 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.2 O=CC1=CCCCC1 JZ4462 [1,0,0,1,0,0|0,0,2]=4 199 B8R1.2 O=CC1CCCCC1 JZ0373 [1,0,0,1,0,0|0,0,0]=2 200 B8R1.2 O=CC1CCCCC1 LT7159 [1,0,0,1,0,0|0,0,0]=2 201 B8R1.2 O=CC1CCNCC1 YH04107 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.2 O=CN1CCCCC1 JZ2045 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.2 O=CN1CCNCC1 JZ3205 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.2 O=CN1CCOCC1 JZ2522 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 OCC1CCCCC1 HL1270 [1,0,0,1,0,0|0,0,2]=4 206 B8R1.2 ONC1CCCCC1 JZ5616 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.5 C=C1CCCCC1Cl RT11015 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.5 CC1CCCCC1=O XJ1009 [1,0,0,1,0,0|0,0,0]=2 209 B8R1.5 CC1CCCCC1C XJ1006 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.5 CC1CCCCC1O XJ1008 [1,0,0,1,0,0|0,0,2]=4 211 B8R1.5 CC1CNCCC1=O YH08115 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.5 C[C@@H]1CCCC[C@H]1N YH96335 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.5 NC1CCCNC1=O YH33632 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.5 NN1CCCCC1=O YH54161 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.5 O=C1CCCCC1=O XJ1356 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.5 O=C1CCCCC1Br LX2735 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.5 O=C1CCCCC1Cl LQ1480 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.5 O=C1CCCCC1F LQ1350 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.5 O=C1CCNCC1F YH23614 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.5 O=C1CCOCC1O CJ3043 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.8 C#CCC1CCCC1 HL3291 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.8 N#CCC1CCCC1 LQ1738 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.8 O=CCC1CCCC1 RT17688 [1,0,0,1,0,0|0,0,0]=2 224 B8R1.8 O=CCC1CCCO1 RT17487 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.8 O=CCC1CCOC1 RT15000 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.11 CCC1CCCC1=O XJ2821 [1,0,0,1,0,0|0,0,0]=2 227 B8R1.11 CCN1CCCC1=O YH50862 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.11 N#CC1CCCC1=O JZ2170 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.22 CC1CCCCCN1 RT15388 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.22 NC1CCCCCC1 LQ2890 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.22 NN1CCCCCC1 LT0330 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.22 O=C1CCCCCC1 LT4672 [1,0,0,1,0,0|0,0,0]=2 233 B8R1.22 O=C1CCCNCC1 XJ5502 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.22 O=C1COCCOC1 YH51929 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.22 OC1CCCCCC1 XJ0857 [1,0,0,1,0,0|0,0,2]=4 236 B8R1.49 C1=CCCCCCC1 LQ1558 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.49 C1CCCCCCC1 LL0633 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.1 CC1CCC(CO)O1 RT14154 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.4 CC1=CC(=O)CCC1 JZ4467 [1,0,0,1,0,0|0,0,2]=4 240 B8R1.4 CC1CCCC(=O)O1 LQ1481 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.4 CC1CCCC(C)C1 HL0097 [1,0,0,1,0,0|0,0,1]=3 242 B8R1.4 CC1CCCC(O)C1 HL0098 [1,0,0,1,0,0|0,0,1]=3 243 B8R1.4 CC1CCNC(=N)C1 LT0381 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.4 CC1CNCC(C)C1 LQ4869 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.4 CN1CCCC(N)C1 LT0403 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.4 CN1CCCC(O)C1 JZ2330 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [1,0,0,1,0,0|0,0,1]=3 249 B8R1.4 C[C@H]1CCC[C@H](C)N1 XJ1360 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.4 NC1CCCC(=O)C1 YH35862 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.4 NC1CCCC(O)C1 JZ2994 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.4 NC1CCNC(=O)C1 JZ2737 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.4 O=C1CC(O)CCN1 HL4116 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.4 OC1CCCC(O)C1 XJ0873 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.7 C[C@H](N)C1CCCC1 RT17675 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.19 CC1(C)CCCC1N RT4727 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.72 CC1(C)CNCCN1 YH65105 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.72 CC1(O)CCCCC1 HL0085 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.72 CC1(O)CCCCC1 XJ4851 [1,0,0,1,0,0|1,0,1]=4 260 B10R1.13 CC1CCC(C(C)C)CC1 HL1299 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.54 CC(C)CC1CNC(=O)C1 RT14639 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.54 O=C(O)CC1CCC(=O)C1 YH50499 [0,1,0,1,0,0|1,0,1]=4 263 B10R1.301 CC1CCCC(C)(C)C1=O JZ2012 [0,1,0,1,0,0|0,0,0]=2 264 B10R1.302 CC1CCC(C)(C)CNC1 RT0589 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.18 CC(C)CC1CNCCN1 YH90239 [0,1,0,1,0,0|1,0,1]=4 266 B10R1.61 CC(=O)N1CCCCC1=O YH55007 [0,1,0,1,0,0|1,0,1]=4 267 B10R1.28 CC(C)(C)C1CCCCC1 JZ2235 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.65 CC(C)(C)N1CCCC1=O XJ4557 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.65 CC(C)(C)N1CCNC1=O LL1670 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.1 CC1CCC(N=C=O)CC1 LT3115 [0,1,0,1,0,0|1,0,1]=4 271 B10R1.1 C[C@H]1CC[C@H](N=C=O)CC1 LQ4939 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.149 COC(=O)C1CCCC1=O LT7459 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.172 NCC1CCCC(CN)C1 YH50023 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.113 C[C@@H]1CCCN(C(=O)[O-])C1 HL4844 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 XJ6310 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.128 CC1(C)CNCC1C(=O)O YH50393 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.128 CC1(C)SCNC1C(=O)O RT14487 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.128 CN1(C)CCC[C@H]1C(=O)O YH02606 [0,1,0,1,0,0|1,0,0]=3 279 B10R2.71 O=C1CC2CCC(C1)N2 XJ4843 [0,0,0,2,0,0|1,0,0]=3 280 B10R2.71 O=C1CC2CNC(C1)C2 YH28395 [0,0,0,2,0,0|1,0,0]=3 281 B10R2.71 [C@H]12CC[C@H](CC(=O)C1)N2 XJ2920 [0,0,0,2,0,0|1,0,0]=3 282 B10R2.99 C(=O)C1CC2C=CC1C2 JZ1188 [0,0,0,2,0,0|0,0,2]=4