0 B6R0.6 BrCCNCCBr RT17682 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCOCCBr HL2958 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCC#C JZ1985 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 C#CCCCCC HL0285 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.6 C#CCCCCO LQ1526 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 C#CCOCOC LT2103 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=CCCCCCl LQ1525 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.6 C=CCSSCC LT5765 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 CCCC#CCO XJ1342 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.6 CCCCCC#N HL0286 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.6 CCCCCCCl HL1956 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.6 CCCCCCI JZ4066 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.6 CCCCCCO XJ0385 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.6 CCCCCCS XJ0387 [0,0,0,0,0,0|0,1,0]=1 14 B6R0.6 CCCCCNC LT5645 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 CCCCC[Mg]Cl JZ2964 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 CCCCN=C=S HL0124 [0,0,0,0,0,0|1,1,1]=3 17 B6R0.6 CCCCOCC HL0289 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 CCCCOCCl LT4489 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.6 CCCCSC#N HL0290 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 CCCCSCC JZ4067 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 CCCNCCC RT1163 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 CCCSSCC LT5405 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 CCCSSSC JZ1910 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.6 CCC\C=C/CO LQ1528 [0,0,0,0,0,0|0,0,2]=2 25 B6R0.6 CCC\C=C\C=O LQ3146 [0,0,0,0,0,0|0,0,4]=4 26 B6R0.6 CCNCCC#N RT4893 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.6 CCNCCCN HL4191 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.6 CCOCCC#N LQ3792 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.6 CCOCCC#N LT2930 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.6 CCOCCCCl XJ5236 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.6 CCOCCOC LQ2802 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 CCSCSCC RT19812 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.6 CCSSSCC JZ2380 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.6 CC\C=C/CCO LT4581 [0,0,0,0,0,0|0,0,2]=2 35 B6R0.6 CC\C=C\CCC HL0123 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.6 CC\C=C\OCC LQ1533 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.6 CNCCCNC XJ0389 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.6 COCCN=C=S LQ4979 [0,0,0,0,0,0|2,1,1]=4 39 B6R0.6 CSCCCSC LQ4459 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.6 C\C=C\CCCO XJ3000 [0,0,0,0,0,0|0,0,2]=2 41 B6R0.6 C\C=C\SCCC YH55419 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.6 ClCCCCCI XJ5888 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.6 ClCCNCCCl LQ1470 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.6 ClCCOCCI YH66175 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.6 ICCCCCI HL0288 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.6 N#CCCCC#N HL1957 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.6 N#CCCCCBr HL2959 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.6 NCCCCCBr RT0436 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.6 NCCCCCN LQ0829 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.6 NCCCCCO HL2296 [0,0,0,0,0,0|1,0,0]=1 51 B6R0.6 NCCNCCN XJ0391 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 NCCNCCO JZ0125 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.6 NCCOCCO LQ1534 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.6 O=CCCCC=O LT7833 [0,0,0,0,0,0|1,0,3]=4 55 B6R0.6 O=CCCCC=O YH24624 [0,0,0,0,0,0|1,0,3]=4 56 B6R0.6 O=CCCCCO YH66094 [0,0,0,0,0,0|1,0,1]=2 57 B6R0.6 OCCCCCCl JZ2653 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.6 OCCNCCO LT7673 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.6 OCCOCCCl JZ0962 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.6 OCCSCCO XJ0395 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.6 SCCSCCS JZ2349 [0,0,0,0,0,0|2,1,0]=3 62 B5R0.2 BrCCCCBr RT17667 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.2 C#CCCCBr RT0013 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.2 C#CCCCC LQ1326 [1,0,0,0,0,0|0,0,2]=3 65 B5R0.2 C#CCCCO XJ2908 [1,0,0,0,0,0|0,0,2]=3 66 B5R0.2 C#CCCCS RT16516 [1,0,0,0,0,0|0,1,2]=4 67 B5R0.2 C=CCCCBr XJ1587 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.2 CCC#CCBr RT0546 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 CCCCC#N LL0427 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.2 CCCCCI HL0274 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.2 CCCCNC LL0434 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.2 CCCCSC HL0277 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.2 CCCC[SnH]=O LQ5214 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.2 CCCN=C=O LL0443 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.2 CCCN=C=S HL0278 [1,0,0,0,0,0|1,1,1]=4 76 B5R0.2 CCCOC=O LL0440 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.2 CCCOCCl JZ2364 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.2 CCCSC#N LQ2617 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 CCCSCC LT5403 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.2 CCNCCO LL0439 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.2 CCNNCC LQ3339 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.2 CCOCCBr HL0120 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.2 CCOCCCl HL0279 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.2 CCOCCO LL0444 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.2 CC\C=C\CC JZ3712 [1,0,0,0,0,0|0,0,2]=3 86 B5R0.2 CNCCNC LL0436 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.2 CNCCOC LQ4938 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 COCCC#N LL0433 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 COCCC=O YH51649 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.2 COCCCCl LQ4914 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 COCCCN LT2986 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.2 CSCCC=O LT3092 [1,0,0,0,0,0|1,0,2]=4 93 B5R0.2 CSCCCN XJ2622 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.2 CSCCCO XJ0883 [1,0,0,0,0,0|1,0,0]=2 95 B5R0.2 CSC\C=N\O LQ3457 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 C\C=C\CCC XJ2577 [1,0,0,0,0,0|0,0,2]=3 97 B5R0.2 ClCCCCI XJ3625 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.2 ClCCOCCl HL0847 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.2 ICCCCI HL0276 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.2 N#CCCCBr XJ2830 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 NCCCCCl JZ1120 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.2 NCCCCN LL0428 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.2 NCCCCO XJ3835 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.2 NOCCCS RT0541 [1,0,0,0,0,0|2,1,0]=4 105 B5R0.2 OCC#CCCl JZ3715 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.2 OCCCCCl LQ1521 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.2 OCCCCF RT1165 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.2 OCCOCCl RT1169 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.2 OC\C=C\CBr RT1108 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.1 BrCC\C=C\CCBr RT0177 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.1 C#CCCCCC#C XJ1412 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.1 C#CCCCCCC LQ1243 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.1 C#CCCCCCO RT14015 [0,1,0,0,0,0|0,0,1]=2 114 B7R0.1 C=CCCCCC#N HL2868 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.1 C=CCSSCCC LT3401 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.1 CCCC#CCCC JZ1797 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.1 CCCCC#CCO HL0563 [0,1,0,0,0,0|0,0,1]=2 118 B7R0.1 CCCCCCC#N LQ1245 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.1 CCCCCCCC XJ0405 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.1 CCCCCCCCl LQ1244 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.1 CCCCCCCN XJ0408 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.1 CCCCCCCS HL0937 [0,1,0,0,0,0|0,1,0]=2 123 B7R0.1 CCCCCC[Mg]Cl LQ5137 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.1 CCCCCN=C=O JZ2397 [0,1,0,0,0,0|0,0,2]=3 125 B7R0.1 CCCCCNCC JZ5218 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.1 CCCCCON=O LQ0831 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.1 CCCCNCCC LQ4205 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.1 CCCCOCCO XJ0413 [0,1,0,0,0,0|0,0,0]=1 129 B7R0.1 CCCCSCC#N XJ6193 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.1 CCCSSCCC LQ1250 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.1 CCC\C=C/CCC LQ3284 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.1 CCC\C=C/CCO JZ4690 [0,1,0,0,0,0|0,0,1]=2 133 B7R0.1 CCNCCNCC XJ0412 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.1 CCOCCCCCl XJ5238 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.1 CCOCCCCO LT2386 [0,1,0,0,0,0|0,0,0]=1 136 B7R0.1 CC\C=C/CCCO XJ3057 [0,1,0,0,0,0|0,0,1]=2 137 B7R0.1 CC\C=C\C=C\CO RT14062 [0,1,0,0,0,0|0,0,3]=4 138 B7R0.1 COCCOCCCl YH05405 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.1 COCCOCCO XJ0414 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.1 C\C=C\CCCCC XJ0407 [0,1,0,0,0,0|1,0,1]=3 141 B7R0.1 ClCCCCCCI XJ5164 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.1 FCCCCCCBr XJ0714 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.1 ICCCCCCI LQ1246 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.1 N#CCCCCCN XJ2152 [0,1,0,0,0,0|1,0,1]=3 145 B7R0.1 NCCCCCCBr RT0122 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.1 NCCCCCCN RT0396 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.1 NCCCNCCBr YH48383 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.1 NCCCNCCN LQ3660 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.1 NCCCNCCO XJ2715 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.1 NCCCNCCS RT17267 [0,1,0,0,0,0|1,1,0]=3 151 B7R0.1 NCCSSCCN LQ0038 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.1 NCCSSCCN LT4716 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.1 OCCCCCCCl LT3732 [0,1,0,0,0,0|0,0,0]=1 154 B7R0.1 OCCCCCCS HL0924 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.1 OCCCNCCCl RT0430 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.1 OCCSSCCO LQ1989 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.1 OCC\C=C\CCO RT0115 [0,1,0,0,0,0|0,0,2]=3 158 B7R0.1 SCCCCCCS JZ4451 [0,1,0,0,0,0|0,1,0]=2 159 B7R0.1 [N-]=[N+]=NCCCCO RT18776 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.3 C#CC(O)CCCC JZ3102 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.3 C#CCOC(C)CO JZ2424 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.3 C=CCC[C@H](O)CCl YH66482 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 CCC#CC(O)CC XJ5066 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.3 CCCCC(=O)CC XJ0362 [0,1,0,0,0,0|1,0,1]=3 165 B7R0.3 CCCCC(=O)NC HL3084 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CCCCC(=O)NN LQ4942 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.3 CCCCC(C)CC HL0067 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.3 CCCCC(O)CO RT17609 [0,1,0,0,0,0|0,0,0]=1 169 B7R0.3 CCCC\C(N)=N\O YH13028 [0,1,0,0,0,0|1,0,1]=3 170 B7R0.3 CCCOC(=O)CCl HL2914 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.3 CCCOC(=O)CN LQ3564 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.3 CCOCC(O)CCl HL2668 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.3 CC\C(C)=C\CCBr JZ5314 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.3 COC(=O)CCCCl LT5164 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.3 COC(=O)CCCO RT0271 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.3 COCO[C@@H](C)CO CJ3006 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.3 COCO[C@H](C)CO CJ2789 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.4 C(=O)OCCC(C)C LL0422 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.4 C=CCCCC(C)C JZ3497 [0,1,0,0,0,0|1,0,1]=3 180 B7R0.4 CC(=O)SCCCBr RT1374 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.4 CC(C)CCCC=O RT0513 [0,1,0,0,0,0|0,0,2]=3 182 B7R0.4 CC(C)CCCCO RT0516 [0,1,0,0,0,0|0,0,0]=1 183 B7R0.4 CC(C)OCCCN LT2607 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.4 CCCCCC(C)C HL0115 [0,1,0,0,0,0|1,0,0]=2 185 B7R0.4 CCCCCC(C)N JZ2985 [0,1,0,0,0,0|1,0,0]=2 186 B7R0.4 CCCCCC(C)N XJ0515 [0,1,0,0,0,0|1,0,0]=2 187 B7R0.4 CCCCCC(N)=O HL0268 [0,1,0,0,0,0|0,0,2]=3 188 B7R0.4 CCCCC[C@H](C)O JZ2825 [0,1,0,0,0,0|0,0,0]=1 189 B7R0.4 CCCCNC(N)=S LQ1811 [0,1,0,0,0,0|1,1,1]=4 190 B7R0.4 CCCCOC(=S)[S-] XJ1408 [0,1,0,0,0,0|1,1,1]=4 191 B7R0.4 CCCCOC(C)=O HL1469 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.4 CCCCOC(N)=O LT4346 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.4 CCCCO[N+](=O)[O-] RT17647 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.4 CCCCSC(C)=O LQ1519 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.4 CCCNCC(C)O RT1462 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.4 CCC\C=C\C(=O)O JZ4447 [0,1,0,0,0,0|0,0,3]=4 197 B7R0.4 CCNCCN(C)C XJ0516 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.4 CN(C)CCCCN JZ2305 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.4 CNCCCC(=O)O RT0333 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.4 CS(=O)CCCCN RT4961 [0,1,0,0,0,0|2,0,0]=3 201 B7R0.4 C[S@@](=O)CCCCN RT4965 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.4 O=C(Cl)CCCCBr HL2752 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.4 O=C(Cl)CCCCCl LT3549 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.4 O=C(O)CCCCBr JZ0370 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.4 O=C(O)CNCCO RT16423 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.4 O=C([O-])CCCCBr LT3131 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.4 O=C([O-])CCCCO YH65793 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.7 C=CCC(O)CCC JZ2295 [0,1,0,0,0,0|1,0,1]=3 209 B7R0.7 CC(CCBr)CCBr XJ2711 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.7 CC(CCO)CCO XJ2710 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.7 CCCC(=O)OCCl LQ4784 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.7 CCCC(Br)CCC HL0633 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.7 CCCN(C)CCC HL2547 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.7 CCCS(=O)CCC LQ2622 [0,1,0,0,0,0|2,0,0]=3 215 B7R0.7 CCOC(=O)CCCl XJ1154 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.7 CCOC(=O)CCN LT4188 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.7 CCOC(=O)CCS LQ2910 [0,1,0,0,0,0|1,1,1]=4 218 B7R0.7 CN(CCCl)CCCl LQ0036 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.7 CN(CCO)CCO RT1442 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.7 CN(CCO)CCO XJ0326 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.7 COCC(O)COC XJ1152 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,1,0,0,0,0|1,0,2]=4 223 B7R0.7 O=C(CCBr)CCBr YH33973 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,1,0,0,0,0|2,0,1]=4 225 B7R1.1 BrCC1CCCO1 JZ4457 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.1 Br[Mg]C1CCCC1 YH54994 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.1 C#CC1CCCC1 LQ1549 [0,0,0,1,0,0|1,0,1]=3 228 B7R1.1 CCC1=NCCC1 RT14089 [0,0,0,1,0,0|1,0,1]=3 229 B7R1.1 CCC1=NCCO1 XJ4890 [0,0,0,1,0,0|1,0,1]=3 230 B7R1.1 CCN1CCCC1 LQ3265 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.1 CNC1CCOC1 YH51455 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.1 CN[C@@H]1CCNC1 YH33765 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.1 COC1CCCC1 JZ2800 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.1 N#CC1CCCC1 LQ2602 [0,0,0,1,0,0|1,0,1]=3 236 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.1 NCC1CCCN1 YH08114 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.1 NCC1CCNC1 YH13177 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.1 O=CC1CCCC1 XJ1419 [0,0,0,1,0,0|0,0,2]=3 240 B7R1.1 O=CC1CCCO1 LX2512 [0,0,0,1,0,0|1,0,1]=3 241 B7R1.1 OCC1CC=CC1 YH65504 [0,0,0,1,0,0|0,0,2]=3 242 B7R1.1 OCC1CCCN1 RT14572 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.1 OCC1CCCO1 YH98620 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.3 BrC1CCOCC1 YH49891 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.3 CC1=CCCCC1 HL0101 [0,0,0,1,0,0|1,0,1]=3 250 B7R1.3 CC1CCCCC1 LQ0421 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.3 CC1CCCCN1 LQ0427 [0,0,0,1,0,0|1,0,0]=2 252 B7R1.3 CC1CCNCC1 HL0233 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 CC1COCCN1 YH00913 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.3 CN1CCNCC1 JZ0117 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.3 CN1CCNCC1 RT14568 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.3 CN1CCOCC1 LT7334 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,0,0,1,0,0|1,0,0]=2 258 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,0,0,1,0,0|1,0,0]=2 261 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.3 ClC1CCNCC1 XJ2904 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.3 FC1CCNCC1 XJ5827 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.3 IC1CCCCC1 HL0234 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.3 N=C1CCCCN1 LT0382 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.3 NC1CCCCC1 JZ0026 [0,0,0,1,0,0|1,0,0]=2 269 B7R1.3 NC1CCCCC1 LT4681 [0,0,0,1,0,0|1,0,0]=2 270 B7R1.3 NC1CCCCC1 RT1317 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.3 NC1CCCNC1 YH06108 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.3 NC1CCCNC1 YH33541 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.3 NC1CCNCC1 LQ3556 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.3 NC1CCNCC1 LQ4843 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.3 NC1CCOCC1 LT5833 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.3 NC1CCOCC1 YH54791 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.3 NN1CCCCC1 RT4329 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.3 NN1CCCCC1 XJ2051 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.3 N[C@@H]1CCCNC1 YH55144 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 N[C@H]1CCCNC1 HL4050 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.3 N[C@H]1CCCNC1 LT0322 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.3 O=C1CCCCC1 LQ0425 [0,0,0,1,0,0|0,0,2]=3 283 B7R1.3 O=C1CCCNC1 YH04125 [0,0,0,1,0,0|1,0,2]=4 284 B7R1.3 O=C1CCCNC1 YH10216 [0,0,0,1,0,0|1,0,2]=4 285 B7R1.3 O=C1CCNCC1 YH00798 [0,0,0,1,0,0|1,0,2]=4 286 B7R1.3 O=C1CCOCC1 XJ5024 [0,0,0,1,0,0|1,0,2]=4 287 B7R1.3 O=C1COCCO1 HL2425 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.3 O=C1NCCCO1 YH05298 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.3 O=C1OCCCO1 XJ2200 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.3 OC1C=CCCC1 YH66647 [0,0,0,1,0,0|0,0,2]=3 291 B7R1.3 OC1CCCCN1 LQ5146 [0,0,0,1,0,0|1,0,0]=2 292 B7R1.3 OC1CCCNC1 HL4242 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.3 OC1CCCNC1 LT6809 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.3 OC1CCCOC1 RT0503 [0,0,0,1,0,0|1,0,0]=2 295 B7R1.3 OC1CCCSC1 RT19790 [0,0,0,1,0,0|1,0,0]=2 296 B7R1.3 OC1CCNCC1 RT17686 [0,0,0,1,0,0|1,0,0]=2 297 B7R1.3 OC1CCOCC1 HL2134 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.3 OC1CCOCC1 YH45458 [0,0,0,1,0,0|1,0,0]=2 299 B7R1.3 OC1COCOC1 LL1585 [0,0,0,1,0,0|2,0,0]=3 300 B7R1.3 ON1CCCCC1 LT0352 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.3 O[C@@H]1CCCNC1 LT0319 [0,0,0,1,0,0|1,0,0]=2 302 B7R1.3 O[C@H]1CCCNC1 HL4109 [0,0,0,1,0,0|1,0,0]=2 303 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.4 CC1CCCC1N RT0500 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.4 CC1CCCC1O XJ4791 [0,0,0,1,0,0|0,0,0]=1 306 B7R1.4 CC1CCNC1=O YH49833 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.4 CC1CCOC1=O LQ1890 [0,0,0,1,0,0|1,0,2]=4 308 B7R1.4 CC1OCCC1=O LT1811 [0,0,0,1,0,0|1,0,2]=4 309 B7R1.4 CC1SCCC1=O LT1812 [0,0,0,1,0,0|1,0,2]=4 310 B7R1.4 CN1CCCC1=O RT4374 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.4 CN1CCCC1=O XJ2240 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.4 CN1CCCC1=S LQ3417 [0,0,0,1,0,0|1,1,1]=4 313 B7R1.4 NC1CCCC1O YH93843 [0,0,0,1,0,0|1,0,0]=2 314 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,0,0,1,0,0|1,0,0]=2 315 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,0,0,1,0,0|1,0,0]=2 316 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,0,0,1,0,0|1,0,0]=2 317 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,0,0,1,0,0|2,0,0]=3 318 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.4 O=C1OCCC1O LT6912 [0,0,0,1,0,0|2,0,1]=4 320 B7R1.6 ClCCN1CCC1 YH26565 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.7 C=CCCC1CO1 YH22163 [0,0,0,1,0,0|0,0,2]=3 322 B7R1.7 C=CCC[C@H]1CO1 YH66356 [0,0,0,1,0,0|0,0,2]=3 323 B7R1.24 C1CCCCCC1 LL0631 [0,0,0,1,0,0|1,0,0]=2 324 B7R1.24 C1CCCNCC1 XJ0396 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.24 C1CCCOCC1 LQ1074 [0,0,0,1,0,0|0,0,0]=1 326 B7R1.24 C1CCCSCC1 RT17551 [0,0,0,1,0,0|0,1,0]=2 327 B7R1.24 C1CNCCNC1 JZ0121 [0,0,0,1,0,0|2,0,0]=3 328 B4R0.2 C#CCCC HL0250 [2,0,0,0,0,0|0,0,2]=4 329 B4R0.2 C#CCCO LT6746 [2,0,0,0,0,0|0,0,2]=4 330 B4R0.2 CC#CCO XJ1336 [2,0,0,0,0,0|0,0,2]=4 331 B4R0.2 CCCCN LQ2553 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.2 CCCCS LL0387 [2,0,0,0,0,0|0,1,0]=3 333 B4R0.2 CCCC[O-] HL2476 [2,0,0,0,0,0|0,0,1]=3 334 B4R0.2 CCCC[O-] LQ4485 [2,0,0,0,0,0|0,0,1]=3 335 B4R0.2 CCC[Mg]Br LQ1517 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 CCC[Mg]Cl XJ2093 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.2 CCC[Zn-]Br HL3580 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.2 CCOCC LL1197 [2,0,0,0,0,0|1,0,0]=3 339 B4R0.2 CCOCC XJ5008 [2,0,0,0,0,0|1,0,0]=3 340 B4R0.2 CCSSC LQ4240 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.2 CC[AlH3+]CC LL0219 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.2 CC[N-]CC RT4825 [2,0,0,0,0,0|1,0,0]=3 343 B4R0.2 CC[NH2+]CC XJ6105 [2,0,0,0,0,0|1,0,0]=3 344 B4R0.2 CC[Se]CC RT0534 [2,0,0,0,0,0|1,0,0]=3 345 B4R0.2 CNCCCl RT4724 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.2 CNCCCl YH54353 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.2 CNCCN LL0389 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.2 COCCN LL0392 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.2 COCCO XJ3502 [2,0,0,0,0,0|1,0,0]=3 350 B4R0.2 CSCCO JZ2661 [2,0,0,0,0,0|1,0,0]=3 351 B4R0.2 C\C=C/CO YH00287 [2,0,0,0,0,0|0,0,2]=4 352 B4R0.2 C\C=C\CC XJ1213 [2,0,0,0,0,0|0,0,2]=4 353 B4R0.2 ClCCCI JZ3062 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 FCCCBr SY0223 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 N#CCCO RT1105 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.2 NCCCBr HL2839 [2,0,0,0,0,0|2,0,0]=4 357 B4R0.2 NCCCCl LT6768 [2,0,0,0,0,0|2,0,0]=4 358 B4R0.2 NNCCO LT2306 [2,0,0,0,0,0|2,0,0]=4 359 B4R0.2 OCCCBr HL0249 [2,0,0,0,0,0|1,0,0]=3 360 B4R0.2 OCCCI HL0254 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.2 OCCCO XJ0879 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.2 SCCCS LL0388 [2,0,0,0,0,0|1,1,0]=4 363 B6R0.1 BrCCC(Br)CBr LQ4943 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.1 C#CC(C)CCC LQ5005 [1,1,0,0,0,0|0,0,2]=4 365 B6R0.1 C#CC(O)CCC XJ0311 [1,1,0,0,0,0|0,0,2]=4 366 B6R0.1 C=CC(N)CCO YH91593 [1,1,0,0,0,0|0,0,2]=4 367 B6R0.1 CCC(=O)CSC JZ4808 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.1 CCC(C)CC=O JZ5060 [1,1,0,0,0,0|0,0,2]=4 369 B6R0.1 CCC(C)CCO HL0061 [1,1,0,0,0,0|0,0,0]=2 370 B6R0.1 CCC(C)CCO LL2797 [1,1,0,0,0,0|0,0,0]=2 371 B6R0.1 CCC(C)CCO LQ4221 [1,1,0,0,0,0|0,0,0]=2 372 B6R0.1 CCCC(=O)CC HL0062 [1,1,0,0,0,0|0,0,1]=3 373 B6R0.1 CCCC(=O)OC XJ1144 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.1 CCCC(=O)SC XJ2150 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.1 CCCC(Br)CBr JZ2283 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.1 CCCC(C)C#N YH11272 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.1 CCCC(C)CC HL0060 [1,1,0,0,0,0|0,0,0]=2 378 B6R0.1 CCC\C(N)=N\O XJ4957 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.1 CCSC(=O)CC LT5718 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.1 CNCC(O)CO LT2424 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.1 COCC(O)CCl HL2667 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.1 COCC(O)CO LT2370 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.1 COC[C@@H](N)CO LX2569 [1,1,0,0,0,0|1,0,0]=3 384 B6R0.1 N[C@H](CS)CCS RT1463 [1,1,0,0,0,0|1,1,0]=4 385 B6R0.1 OCC[C@@H](O)CO YH14636 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.1 OCC[C@H](O)CO LQ5089 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.4 C#CCCC(C)C JZ1939 [1,1,0,0,0,0|0,0,2]=4 388 B6R0.4 C=CCCC(C)C JZ2300 [1,1,0,0,0,0|0,0,2]=4 389 B6R0.4 CC(Br)CCCBr HL0239 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.4 CC(C)CCC=O RT0502 [1,1,0,0,0,0|0,0,2]=4 391 B6R0.4 CC(C)CCCBr HL0240 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.4 CC(C)OCCO LQ0441 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.4 CC(N)CCCO RT0123 [1,1,0,0,0,0|0,0,0]=2 394 B6R0.4 CCC#CC(C)O LT2389 [1,1,0,0,0,0|0,0,2]=4 395 B6R0.4 CCCCC(=O)[O-] RT0478 [1,1,0,0,0,0|0,0,2]=4 396 B6R0.4 CCCCC(C)Br HL2516 [1,1,0,0,0,0|0,0,0]=2 397 B6R0.4 CCCCC(N)=O HL0242 [1,1,0,0,0,0|0,0,2]=4 398 B6R0.4 CCCC[Sn](=O)S LQ4511 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.4 CCCNC(C)=O JZ2722 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.4 CCCSC(C)C HL2844 [1,1,0,0,0,0|1,0,0]=3 401 B6R0.4 CN(C)CCCBr LQ5309 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.4 CN(C)CCCBr YH08472 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.4 CN(C)CCCCl HL0729 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.4 CN(C)CCCCl HL2943 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.4 CN(C)CCCCl LQ0440 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.4 CN(C)CCCN RT1449 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.4 CN(C)CCCO LT2968 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.4 CNCCN(C)C XJ0598 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.4 COCCC(=O)O LQ2190 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.4 COCCC(C)O LT2442 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.4 CSCCC(C)=O LT2666 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.4 NCCCC(=O)O CJ3094 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.4 O=C(O)CCCBr JZ2086 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.4 O=C(O)CCCS RT19786 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.1 C=CCC(O)CCCC LQ5051 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.1 CCCCN(C)CCN XJ4506 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.1 CCCOC(=O)CCC XJ0331 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.1 CCOC(=O)CCCBr LT5161 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.1 CCOC(=O)CCCN JZ3049 [0,2,0,0,0,0|1,0,1]=4 420 B8R0.4 C#CCCCCCC#C JZ1986 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.4 C#CCCCCCCC LQ2434 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.4 C#CCCCCCCO RT0526 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.4 C=CCCCCCCC HL1481 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.4 CCC#CCC#CCO RT14011 [0,2,0,0,0,0|0,0,2]=4 425 B8R0.4 CCCCC#CCCO JZ4975 [0,2,0,0,0,0|0,0,0]=2 426 B8R0.4 CCCCCC#CCO XJ4574 [0,2,0,0,0,0|0,0,0]=2 427 B8R0.4 CCCCCCCC#N HL1482 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.4 CCCCCCCCBr XJ0418 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.4 CCCCCCCCC XJ0421 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.4 CCCCCCCCI LQ1253 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.4 CCCCCCCCN YH24980 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.4 CCCCCCCCS XJ0423 [0,2,0,0,0,0|0,1,0]=3 433 B8R0.4 CCCCCCN=C=S JZ2537 [0,2,0,0,0,0|0,1,0]=3 434 B8R0.4 CCCCCCNCC JZ5362 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.4 CCCCCSCCO JZ5724 [0,2,0,0,0,0|0,0,0]=2 436 B8R0.4 CCCCOCCCC HL1566 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.4 CCCCOCCCC LT4297 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.4 CCCC[SnH4+2]CCCC LL0102 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.4 COCCNCCOC XJ0426 [0,2,0,0,0,0|1,0,0]=3 440 B8R0.4 CSCCCCN=C=S RT1003 [0,2,0,0,0,0|0,1,1]=4 441 B8R0.4 CSCCCCN=[N+]=[N-] RT1005 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.4 N#CCCCCCC#N XJ1218 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.4 NCCCCCCCN XJ1217 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.4 NCCCCCCCO YH43193 [0,2,0,0,0,0|0,0,0]=2 445 B8R0.4 NCCCCNCCO JZ5587 [0,2,0,0,0,0|0,0,0]=2 446 B8R0.4 NCCCNCCCN LQ0039 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.4 NCCSCSCCN RT4962 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.4 OCCCNCCCO YH65471 [0,2,0,0,0,0|0,0,0]=2 449 B8R0.4 [NH3+]CCSCSCC[NH3+] RT4963 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.6 C#CC(O)CCCCC LQ1462 [0,2,0,0,0,0|0,0,0]=2 451 B8R0.6 C#CCOCC(O)CO JZ3749 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.6 C=CC(O)CCCCC HL2529 [0,2,0,0,0,0|0,0,0]=2 453 B8R0.6 CCC#CCC(O)CC LQ5289 [0,2,0,0,0,0|0,0,2]=4 454 B8R0.6 CCCCCC(=O)CC HL1322 [0,2,0,0,0,0|1,0,0]=3 455 B8R0.6 CCCCCC(=O)OC HL1324 [0,2,0,0,0,0|0,0,1]=3 456 B8R0.6 CCCCCC(O)CC HL0071 [0,2,0,0,0,0|0,0,0]=2 457 B8R0.6 CCCCOC(=O)CCl HL0074 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.6 CCCCOC(=O)CO LT4349 [0,2,0,0,0,0|0,0,1]=3 459 B8R0.6 COC(=O)CCCCCl XJ4043 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.6 COC(=O)CCCCO RT18638 [0,2,0,0,0,0|0,0,1]=3 461 B8R0.6 OCCCCC(O)CO HL1323 [0,2,0,0,0,0|0,0,0]=2 462 B8R0.7 C=CCCCCC(=O)O XJ1588 [0,2,0,0,0,0|0,0,2]=4 463 B8R0.7 CC(=O)OCCCCCl LT2385 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.7 CC(=O)OCCCCI LQ5055 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.7 CC(C)CCCCC=O RT0529 [0,2,0,0,0,0|0,0,1]=3 466 B8R0.7 CC(C)CCCCCO RT1226 [0,2,0,0,0,0|0,0,0]=2 467 B8R0.7 CCCCCCC(=O)O XJ0376 [0,2,0,0,0,0|0,0,0]=2 468 B8R0.7 CCCCCCC(C)Br LQ1034 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.7 CCCCCCC(C)N LQ1330 [0,2,0,0,0,0|1,0,0]=3 470 B8R0.7 CCCCCCC(C)O XJ2646 [0,2,0,0,0,0|0,0,0]=2 471 B8R0.7 CCCCCCC(C)O XJ2647 [0,2,0,0,0,0|0,0,0]=2 472 B8R0.7 CCCCCCC(C)S XJ2345 [0,2,0,0,0,0|0,1,0]=3 473 B8R0.7 CCCCCCN(C)C JZ2511 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.7 CCCCCC[C@H](C)O XJ6892 [0,2,0,0,0,0|0,0,0]=2 475 B8R0.7 CCCCCC[N+](=O)[O-] RT0284 [0,2,0,0,0,0|0,0,1]=3 476 B8R0.7 CCCCCOC(=S)[S-] XJ2277 [0,2,0,0,0,0|0,1,1]=4 477 B8R0.7 CCCCCOC(C)=O HL0284 [0,2,0,0,0,0|0,0,2]=4 478 B8R0.7 CCCCOCC(=O)O HL2310 [0,2,0,0,0,0|0,0,1]=3 479 B8R0.7 CCCCOCC(C)O JZ5031 [0,2,0,0,0,0|0,0,0]=2 480 B8R0.7 CC\C=C\CCC(C)O RT1178 [0,2,0,0,0,0|0,0,1]=3 481 B8R0.7 CN(C)CCOCCO LQ1936 [0,2,0,0,0,0|1,0,0]=3 482 B8R0.7 NCCCCCC(=O)O JZ1196 [0,2,0,0,0,0|0,0,1]=3 483 B8R0.7 NCCCCCC(=O)O RT0574 [0,2,0,0,0,0|0,0,1]=3 484 B8R0.7 O=C(Cl)CCCCCCl XJ4464 [0,2,0,0,0,0|0,0,2]=4 485 B8R0.7 O=C(O)CCCCCBr HL2738 [0,2,0,0,0,0|0,0,1]=3 486 B8R0.7 O=C(O)CCCCCCl LT3590 [0,2,0,0,0,0|0,0,1]=3 487 B8R0.7 O=C(O)CCCCCO JZ4450 [0,2,0,0,0,0|0,0,1]=3 488 B8R0.3 CCCC(O)C(C)CC HL2017 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.3 CCCC(O)C(O)CO HL4890 [0,2,0,0,0,0|0,0,0]=2 490 B8R0.3 CCOC(=O)C(N)CO YH58945 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.3 CCOC(=O)[C@@H](N)CO LQ4499 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.3 O=CC[C@H](O)[C@H](O)CO LT6525 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.8 CCCCC(C)C(=O)Cl XJ5458 [0,2,0,0,0,0|0,0,2]=4 494 B8R0.8 CCCCC(C)C(C)=O LQ2154 [0,2,0,0,0,0|0,0,2]=4 495 B8R0.8 CCCCC(O)C(C)C LQ4085 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.8 CCCC[C@H](N)C(=O)O RT3896 [0,2,0,0,0,0|0,0,1]=3 497 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [0,2,0,0,0,0|1,0,1]=4 498 B8R0.8 CSCCC(N)C(=O)O JZ0536 [0,2,0,0,0,0|1,0,1]=4 499 B8R0.8 C[34S]CC[C@H](N)C(=O)O RT5594 [0,2,0,0,0,0|1,0,1]=4 500 B8R0.8 C[Se]CC[C@H](N)C(=O)O HL0850 [0,2,0,0,0,0|1,0,1]=4 501 B8R0.8 C[Se]CC[C@H](N)C(=O)O LT7572 [0,2,0,0,0,0|1,0,1]=4 502 B8R0.8 NCCC[C@H](N)C(=O)O HL1078 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.8 NCCC[C@H](N)C(=O)O JZ0525 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.8 NCCC[C@H](N)C(=O)O YH10461 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.8 [C@@H](N)(CCCN)C(=O)O JZ1434 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.8 [C@@H](N)(CCSC)C(=O)O JZ0524 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.9 CC(=O)OCC(O)CO LQ4515 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.9 CC(C)NCC(O)CO RT4911 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.9 CCC(C)CCC(C)N YH66030 [0,2,0,0,0,0|1,0,0]=3 510 B8R0.11 C=CCCC(CC)CO RT0530 [0,2,0,0,0,0|0,0,2]=4 511 B8R0.11 CCCCC(C=O)CC XJ0494 [0,2,0,0,0,0|1,0,0]=3 512 B8R0.11 CCCCC(CC)CBr LQ4127 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.11 CCCCC(CC)CCl XJ0493 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.11 CCCCC(CC)CN RT0570 [0,2,0,0,0,0|1,0,0]=3 515 B8R0.11 CCCCC(CC)CO XJ0289 [0,2,0,0,0,0|0,0,0]=2 516 B8R0.11 CCCCC(CC)CS LQ3275 [0,2,0,0,0,0|0,1,0]=3 517 B8R0.11 CCCCC(CO)CO JZ2065 [0,2,0,0,0,0|0,0,0]=2 518 B8R0.11 CCCCN(CC)N=O RT0217 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.11 CCN(CC)CCCO LT6135 [0,2,0,0,0,0|1,0,0]=3 520 B8R0.11 COC(CCCCl)OC XJ5012 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.19 CC(CO)OC(C)CO RT0004 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.19 CCC(C)NC(C)CC HL0224 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.19 CCC(C)NC(C)CC XJ0368 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.19 CCC(C)SC(C)CC HL0225 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.25 CCCCC(C)(C)CC JZ2461 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.25 CCCCC(C)(O)CC JZ2784 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.5 CCCC(O)CC(=O)O RT0532 [0,2,0,0,0,0|0,0,1]=3 528 B8R0.5 CCOC(=O)CC(C)O HL2936 [0,2,0,0,0,0|1,0,1]=4 529 B8R0.21 CCCCOP(=O)(O)O RT1334 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.21 O=S(=O)([O-])CCCCO RT15807 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.28 CC(=O)CCCC(=O)O LQ2357 [0,2,0,0,0,0|0,0,2]=4 532 B8R0.28 CC(C)CCCC(=O)O HL0282 [0,2,0,0,0,0|0,0,1]=3 533 B8R0.28 CC(C)COCC(C)C HL0283 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.28 CC(C)C[AlH3+]CC(C)C JZ4448 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.28 CC(C)C[AlH3+]CC(C)C XJ1920 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.28 CC(O)CCCC(=O)O RT0557 [0,2,0,0,0,0|0,0,1]=3 537 B8R0.28 CC(O)CNCC(C)O XJ0369 [0,2,0,0,0,0|1,0,0]=3 538 B8R0.28 CC(O)COCC(C)O XJ0370 [0,2,0,0,0,0|1,0,0]=3 539 B8R0.28 CN(C)CCCC(=O)O HL4424 [0,2,0,0,0,0|1,0,1]=4 540 B8R0.22 CCCC(C=O)CCC RT0259 [0,2,0,0,0,0|1,0,0]=3 541 B8R0.22 CCCN(CCC)N=O RT1151 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.22 CCN(CCO)CCO XJ0542 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.22 O=NN(CCO)CCO RT4843 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.30 C=CCC(C)(O)CCC JZ4429 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.30 CCC[Si](Cl)(Cl)CCC HL2195 [0,2,0,0,0,0|1,1,0]=4 546 B8R0.30 CCC[Sn](Cl)(Cl)CCC RT1177 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.30 C[N+](C)(CCO)CCF YH65357 [0,2,0,0,0,0|2,0,0]=4 548 B6R1.1 C1=CCCCC1 LL0447 [1,0,0,1,0,0|0,0,2]=4 549 B6R1.1 C1=CCOCC1 RT15029 [1,0,0,1,0,0|0,0,2]=4 550 B6R1.1 C1=COCCC1 JZ1390 [1,0,0,1,0,0|0,0,2]=4 551 B6R1.1 C1CC[NH2+]CC1 HL2776 [1,0,0,1,0,0|1,0,0]=3 552 B6R1.1 C1CNCCN1 JZ0122 [1,0,0,1,0,0|2,0,0]=4 553 B6R1.1 C1CNCCN1 JZ2867 [1,0,0,1,0,0|2,0,0]=4 554 B6R1.1 C1CNCCN1 LQ3756 [1,0,0,1,0,0|2,0,0]=4 555 B6R1.1 C1COCCN1 YH20292 [1,0,0,1,0,0|1,0,0]=3 556 B6R1.1 C1COCCO1 XJ5344 [1,0,0,1,0,0|1,0,0]=3 557 B6R1.1 C1COCCO1 XJ5710 [1,0,0,1,0,0|1,0,0]=3 558 B6R1.1 C1CSCCS1 XJ0886 [1,0,0,1,0,0|1,1,0]=4 559 B6R1.1 C1CSCSC1 XJ0885 [1,0,0,1,0,0|1,1,0]=4 560 B6R1.1 C1OCOCO1 LL0448 [1,0,0,1,0,0|2,0,0]=4 561 B6R1.1 N1CCNCC1 HL1555 [1,0,0,1,0,0|2,0,0]=4 562 B6R1.2 BrC1CCCC1 LL0590 [1,0,0,1,0,0|1,0,0]=3 563 B6R1.2 CC1=NCCC1 XJ1415 [1,0,0,1,0,0|1,0,1]=4 564 B6R1.2 CC1=NCCO1 XJ1609 [1,0,0,1,0,0|1,0,1]=4 565 B6R1.2 CC1CCCC1 LL0238 [1,0,0,1,0,0|0,0,0]=2 566 B6R1.2 CC1CCCN1 XJ1351 [1,0,0,1,0,0|1,0,0]=3 567 B6R1.2 CC1CCCO1 YH65006 [1,0,0,1,0,0|0,0,0]=2 568 B6R1.2 CC1CCCS1 XJ1945 [1,0,0,1,0,0|0,1,0]=3 569 B6R1.2 CC1CCNC1 YH66261 [1,0,0,1,0,0|1,0,0]=3 570 B6R1.2 CC1SCCS1 JZ2801 [1,0,0,1,0,0|1,1,0]=4 571 B6R1.2 C[C@@H]1CCCN1 JZ0867 [1,0,0,1,0,0|1,0,0]=3 572 B6R1.2 C[C@H]1CCCN1 HL3677 [1,0,0,1,0,0|1,0,0]=3 573 B6R1.2 C[C@H]1CCNC1 YH66267 [1,0,0,1,0,0|1,0,0]=3 574 B6R1.2 ClC1CCCC1 LT4693 [1,0,0,1,0,0|1,0,0]=3 575 B6R1.2 NC1CCCC1 LT4694 [1,0,0,1,0,0|1,0,0]=3 576 B6R1.2 NC1CCNC1 LL1803 [1,0,0,1,0,0|2,0,0]=4 577 B6R1.2 NC1CCNC1 YH29002 [1,0,0,1,0,0|2,0,0]=4 578 B6R1.2 N[C@@H]1CCNC1 JZ0225 [1,0,0,1,0,0|2,0,0]=4 579 B6R1.2 N[C@@H]1CCOC1 CJ2199 [1,0,0,1,0,0|2,0,0]=4 580 B6R1.2 N[C@H]1CCNC1 JZ0221 [1,0,0,1,0,0|2,0,0]=4 581 B6R1.2 N[C@H]1CCNC1 LT6128 [1,0,0,1,0,0|2,0,0]=4 582 B6R1.2 N[C@H]1CCOC1 XJ6762 [1,0,0,1,0,0|2,0,0]=4 583 B6R1.2 O=C1CCCO1 YH98377 [1,0,0,1,0,0|1,0,1]=4 584 B6R1.2 OC1CC=CC1 XJ4083 [1,0,0,1,0,0|0,0,2]=4 585 B6R1.2 OC1CCCO1 RT17572 [1,0,0,1,0,0|1,0,0]=3 586 B6R1.2 OC1CCNC1 HL4806 [1,0,0,1,0,0|1,0,0]=3 587 B6R1.2 OC1CCOC1 XJ0812 [1,0,0,1,0,0|1,0,0]=3 588 B6R1.2 O[C@@H]1CCNC1 HL2373 [1,0,0,1,0,0|1,0,0]=3 589 B6R1.2 O[C@@H]1CCNC1 JZ0855 [1,0,0,1,0,0|1,0,0]=3 590 B6R1.2 O[C@@H]1CCOC1 HL4808 [1,0,0,1,0,0|1,0,0]=3 591 B6R1.2 O[C@@H]1CCSC1 LT5798 [1,0,0,1,0,0|1,0,0]=3 592 B6R1.2 O[C@H]1CCNC1 JZ0222 [1,0,0,1,0,0|1,0,0]=3 593 B6R1.2 O[C@H]1CCNC1 XJ6747 [1,0,0,1,0,0|1,0,0]=3 594 B6R1.2 O[C@H]1CCOC1 HL4807 [1,0,0,1,0,0|1,0,0]=3 595 B6R1.2 O[C@H]1CCSC1 LT5717 [1,0,0,1,0,0|1,0,0]=3 596 B6R1.2 SC1CCCC1 LQ1887 [1,0,0,1,0,0|0,1,0]=3 597 B6R1.2 [Fe]C1CCCC1 HL0728 [1,0,0,1,0,0|1,0,0]=3 598 B6R1.2 [Fe]C1CCCC1 XJ1696 [1,0,0,1,0,0|1,0,0]=3 599 B6R1.3 ICCC1CC1 YH66394 [1,0,0,1,0,0|1,0,0]=3 600 B6R1.3 N#CCC1CC1 YH12245 [1,0,0,1,0,0|1,0,1]=4 601 B6R1.3 NCCN1CC1 YH59500 [1,0,0,1,0,0|2,0,0]=4 602 B6R1.3 NOCC1CC1 YH17345 [1,0,0,1,0,0|2,0,0]=4 603 B6R1.3 OCCN1CC1 JZ4346 [1,0,0,1,0,0|1,0,0]=3 604 B6R1.3 [C@@H]1(COC)CO1 LL1074 [1,0,0,1,0,0|1,0,0]=3 605 B6R1.6 BrCC1CCC1 YH39750 [1,0,0,1,0,0|1,0,0]=3 606 B6R1.6 CNC1CNC1 YH49217 [1,0,0,1,0,0|2,0,0]=4 607 B6R1.6 N#CC1CCC1 XJ2664 [1,0,0,1,0,0|1,0,1]=4 608 B6R1.6 NCC1CCC1 JZ2551 [1,0,0,1,0,0|1,0,0]=3 609 B6R1.6 OCC1CCC1 LT4668 [1,0,0,1,0,0|0,0,0]=2 610 B6R1.8 CC1CC1CO JZ2852 [1,0,0,1,0,0|0,0,0]=2 611 B8R1.2 BrCC1COCCO1 RT8614 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.2 CCC1CCCCC1 LQ1884 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.2 CCC1CCCCN1 HL0893 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.2 CCN1CCCCC1 JZ0120 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.2 CCN1CCNCC1 JZ0119 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.2 CC[C@H]1CNCCN1 YH45335 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.2 CNC1CCCNC1 LT0416 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.2 CNC1CCNCC1 YH02204 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.2 CNC1CCOCC1 YH47081 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.2 Cl[Mg]C1CCCCC1 LQ1557 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.2 N#CC1CCCCC1 XJ1358 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.2 N#CC1CCCCN1 LT6523 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.2 N#CC1CCCNC1 YH17001 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.2 N#CC1CCNCC1 YH48709 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.2 NCC1CCCCO1 YH12666 [0,1,0,1,0,0|0,0,0]=2 626 B8R1.2 NCC1CCCNC1 LQ4363 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.2 NCC1CCNCC1 LT0451 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.2 NCC1CCOCC1 HL3392 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.2 NNC1CCCCC1 LX2848 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.2 NNC1CCCCC1 YH12039 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.2 O=CC1CCCCC1 JZ0373 [0,1,0,1,0,0|0,0,1]=3 632 B8R1.2 O=CC1CCCCC1 LT7159 [0,1,0,1,0,0|0,0,1]=3 633 B8R1.2 O=CC1CCNCC1 YH04107 [0,1,0,1,0,0|0,0,2]=4 634 B8R1.2 O=CN1CCCCC1 JZ2045 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.2 OCC1CCC=CO1 LT2060 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.2 OCC1CCCCC1 HL1270 [0,1,0,1,0,0|0,0,0]=2 637 B8R1.2 OCC1CCCCN1 LT1609 [0,1,0,1,0,0|0,0,0]=2 638 B8R1.2 OCC1CCCNC1 LT0402 [0,1,0,1,0,0|0,0,0]=2 639 B8R1.2 OCC1CCNCC1 LT0484 [0,1,0,1,0,0|0,0,0]=2 640 B8R1.2 OCC1CCOCC1 JZ4923 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.2 OCC1CNCCN1 YH52067 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.2 OCC1CNCCO1 HL3143 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.2 OCC1COCCN1 YH23562 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.2 OCC1COCCO1 RT8627 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.2 OC[C@@H]1CNCCN1 YH35885 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.2 OC[C@@H]1CNCCO1 YH31815 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.2 OC[C@H]1COCCN1 YH45867 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.2 ONC1CCCCC1 JZ5616 [0,1,0,1,0,0|0,0,0]=2 649 B8R1.5 C=C1CCCCC1Cl RT11015 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.5 CC1CCCCC1=O XJ1009 [0,1,0,1,0,0|0,0,1]=3 651 B8R1.5 CC1CCCCC1C XJ1006 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.5 CC1CCCCC1O XJ1008 [0,1,0,1,0,0|0,0,0]=2 653 B8R1.5 CC1CNCCC1=O YH08115 [0,1,0,1,0,0|0,0,2]=4 654 B8R1.5 C[C@@H]1CCCC[C@H]1N YH96335 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.5 NC1CCCCC1N LQ1351 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.5 NC1CCCCC1O JZ2993 [0,1,0,1,0,0|0,0,0]=2 657 B8R1.5 NC1CCCC[C@H]1N RT4156 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.5 NC1COCCC1O YH55045 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.5 N[C@@H]1CCCC[C@H]1N HL4195 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.5 N[C@@H]1CCCC[C@H]1N RT4814 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.5 N[C@@H]1CCCC[C@H]1N XJ1617 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.5 N[C@@H]1CCCC[C@H]1O LQ2896 [0,1,0,1,0,0|0,0,0]=2 663 B8R1.5 N[C@@H]1COCC[C@H]1O RT15009 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.5 N[C@H]1CCCC[C@@H]1N YH46273 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.5 N[C@H]1CCCC[C@H]1N XJ1753 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.5 N[C@H]1COCC[C@@H]1O RT15007 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.5 O=C1CCCCC1Br LX2735 [0,1,0,1,0,0|0,0,2]=4 668 B8R1.5 O=C1CCCCC1Cl LQ1480 [0,1,0,1,0,0|0,0,2]=4 669 B8R1.5 O=C1CCCCC1F LQ1350 [0,1,0,1,0,0|0,0,2]=4 670 B8R1.5 O=C1CCOCC1O CJ3043 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.5 OC1CCCCC1O LQ1555 [0,1,0,1,0,0|0,0,0]=2 672 B8R1.5 O[C@@H]1CCCC[C@@H]1Cl LT2047 [0,1,0,1,0,0|0,0,0]=2 673 B8R1.5 O[C@@H]1CCCC[C@H]1F XJ1265 [0,1,0,1,0,0|0,0,0]=2 674 B8R1.5 O[C@H]1CCCC[C@H]1O XJ1939 [0,1,0,1,0,0|0,0,0]=2 675 B8R1.5 [NH-][C@@H]1CCCC[C@H]1[NH-] RT4589 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.8 BrCCC1OCCO1 LQ4089 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.8 BrCCN1CCCC1 LX2478 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.8 BrCCN1CCCC1 YH06128 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.8 C#CCC1CCCC1 HL3291 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.8 CCOC1CCCO1 XJ3908 [0,1,0,1,0,0|0,0,0]=2 681 B8R1.8 ClCCN1CCCC1 HL2871 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.8 ClCCN1CCCC1 LQ3213 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.8 N#CCC1CCCC1 LQ1738 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.8 NCCC1OCCO1 XJ2993 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.8 O=CCC1CCCC1 RT17688 [0,1,0,1,0,0|0,0,1]=3 686 B8R1.8 O=CCC1CCCO1 RT17487 [0,1,0,1,0,0|0,0,1]=3 687 B8R1.8 O=CCC1CCOC1 RT15000 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.8 OCCC1CCNC1 YH96359 [0,1,0,1,0,0|0,0,0]=2 689 B8R1.8 OCCN1CCCC1 JZ2200 [0,1,0,1,0,0|0,0,0]=2 690 B8R1.11 CCC1CCCC1=O XJ2821 [0,1,0,1,0,0|0,0,1]=3 691 B8R1.11 CCN1CCCC1=O YH50862 [0,1,0,1,0,0|0,0,2]=4 692 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [0,1,0,1,0,0|0,0,0]=2 693 B8R1.11 OC[C@@H]1CC=C[C@@H]1O RT18647 [0,1,0,1,0,0|0,0,2]=4 694 B8R1.22 CC1CCCCCN1 RT15388 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.22 CC1CCCNCC1 RT15402 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.22 CN1CCCNCC1 LQ2672 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.22 NC1CCCCCC1 LQ2890 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.22 NC1CCCCNC1 YH66537 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.22 NN1CCCCCC1 LT0330 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.22 O=C1CCCCCC1 LT4672 [0,1,0,1,0,0|0,0,1]=3 701 B8R1.22 O=C1CCCNCC1 XJ5502 [0,1,0,1,0,0|0,0,2]=4 702 B8R1.22 O=C1COCCOC1 YH51929 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.22 OC1CCCCCC1 XJ0857 [0,1,0,1,0,0|0,0,0]=2 704 B8R1.36 CCCNCC1CC1 LQ4507 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.49 C1=CCCCCCC1 LQ1558 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.49 C1CCCCCCC1 LL0633 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.49 C1CNCCCNC1 YH07623 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.1 CC1CCC(CO)O1 RT14154 [0,1,0,1,0,0|0,0,0]=2 709 B8R1.1 O=C1CC[C@@H](CO)N1 RT15015 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.1 O=C1CC[C@H](CO)N1 RT14231 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,1,0,1,0,0|0,0,2]=4 712 B8R1.3 CC1CCC(N)CC1 LQ3073 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.3 CC1CCC(N)CC1 YH66269 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.3 CN1CCC(Cl)CC1 LT0472 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.3 CN1CCC(O)CC1 HL1315 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.3 CN1CCC(O)CC1 XJ5174 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.3 C[C@@H]1CN[C@H](C)CN1 YH10909 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.3 C[C@H]1CC[C@@H](N)CC1 RT3963 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.3 C[C@H]1CC[C@@H](O)CC1 JZ3188 [0,1,0,1,0,0|0,0,0]=2 720 B8R1.3 C[C@H]1CC[C@H](O)CC1 JZ3189 [0,1,0,1,0,0|0,0,0]=2 721 B8R1.3 C[C@H]1CN[C@H](C)CN1 YH51692 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.3 NC1CCC(N)CC1 YH53689 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.3 N[C@H]1CC[C@@H](O)CC1 YH00053 [0,1,0,1,0,0|0,0,0]=2 724 B8R1.3 N[C@H]1CC[C@H](N)CC1 YH50326 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.3 N[C@H]1CC[C@H](O)CC1 LT5722 [0,1,0,1,0,0|0,0,0]=2 726 B8R1.3 N[C@H]1CC[C@H](O)CC1 YH04278 [0,1,0,1,0,0|0,0,0]=2 727 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,1,0,1,0,0|0,0,1]=3 728 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,1,0,1,0,0|1,0,1]=4 729 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,1,0,1,0,0|1,0,1]=4 731 B8R1.3 OC1COC(O)CO1 YH48124 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.50 CC1CCC(C)C1N RT4729 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.50 CC1CCC(O)C1O XJ4948 [0,1,0,1,0,0|0,0,0]=2 734 B8R1.50 CN1C(=O)CCC1O RT14805 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.52 CCC1(C)OCCO1 HL1523 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.52 N#CC1(N)CCCC1 RT4882 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,1,0,1,0,0|0,0,1]=3 738 B8R1.4 CC1CCCC(C)C1 HL0097 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.4 CC1CCCC(O)C1 HL0098 [0,1,0,1,0,0|0,0,0]=2 740 B8R1.4 CC1CNCC(C)C1 LQ4869 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.4 CC1CNCC(C)O1 XJ0589 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.4 CN1CCCC(N)C1 LT0403 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.4 CN1CCCC(O)C1 JZ2330 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,1,0,0|0,0,1]=3 745 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,1,0,1,0,0|0,0,0]=2 746 B8R1.4 C[C@H]1CCC[C@H](C)N1 XJ1360 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.4 C[C@H]1CNC[C@@H](C)N1 LT0198 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.4 C[C@H]1CNC[C@@H](C)O1 RT15039 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.4 C[C@H]1COC[C@@H](C)N1 YH97076 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.4 C[C@H]1COC[C@H](C)N1 YH36836 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,1,0,1,0,0|0,0,2]=4 752 B8R1.4 NC1CCCC(O)C1 JZ2994 [0,1,0,1,0,0|0,0,0]=2 753 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.4 OC1CCCC(O)C1 XJ0873 [0,1,0,1,0,0|0,0,0]=2 755 B8R1.7 CC(=O)C1CCCC1 RT17591 [0,1,0,1,0,0|0,0,2]=4 756 B8R1.7 CN(C)C1OCCO1 XJ4514 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.7 C[C@H](N)C1CCCC1 RT17675 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.7 O=C(O)C1CCCO1 LT5095 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.7 O=C(O)C1CCNC1 YH08955 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.7 O=C(O)[C@@H]1CCCN1 JZ0527 [0,1,0,1,0,0|1,0,1]=4 761 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.7 O=C(O)[C@@H]1CCNC1 YH13838 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.7 O=C(O)[C@@H]1CCOC1 YH12920 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.7 O=C(O)[C@H]1CCNC1 JZ0220 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.7 O=C(O)[C@H]1CCNC1 LT4960 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.7 O=C(O)[C@H]1CCOC1 YH39058 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.7 O=[N+]([O-])C1CCCC1 LQ2246 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.19 CC1(C)CCCC1N RT4727 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.72 CC1(C)CNCCN1 YH65105 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.72 CC1(O)CCCCC1 HL0085 [0,1,0,1,0,0|0,0,0]=2 772 B8R1.72 CC1(O)CCCCC1 XJ4851 [0,1,0,1,0,0|0,0,0]=2 773 B8R1.72 FC1(F)CCNCC1 LT0419 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.72 FC1(F)CCNCC1 YH46901 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.72 O=S1(=O)CCCCO1 HL0926 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.72 OC1(O)CCNCC1 RT17541 [0,1,0,1,0,0|1,0,0]=3 777 B8R2.34 C1CC2CCC1C2 LL0614 [0,0,0,2,0,0|1,0,0]=3 778 B8R2.34 C1CC2CCC1O2 LL0615 [0,0,0,2,0,0|0,0,0]=2 779 B8R2.34 C1O[C@@H]2CN[C@H]1C2 YH53958 [0,0,0,2,0,0|1,0,0]=3 780 B8R2.55 C1CC2(CC2)CN1 RT15053 [0,0,0,2,0,0|2,0,0]=4 781 B8R2.25 C1CCC2OC2C1 LL0621 [0,0,0,2,0,0|0,0,0]=2 782 B8R2.25 C1CCC2SC2C1 YH66062 [0,0,0,2,0,0|0,1,0]=3 783 B8R2.42 C1CC2(COC2)N1 YH22676 [0,0,0,2,0,0|2,0,0]=4 784 B8R2.24 C1CC1NC2CC2 YH49164 [0,0,0,2,0,0|2,0,0]=4