0 B6R0.1 BrCCC(Br)CBr LQ4943 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 C#CC(C)CCC LQ5005 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C#CC(O)CCC XJ0311 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C=CC(N)CCO YH91593 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C=CCC(O)C=C LQ1497 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.1 CCC(=O)CSC JZ4808 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 CCC(C)CC=O JZ5060 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCC(C)CCO HL0061 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCC(C)CCO LL2797 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCC(C)CCO LQ4221 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCCC(=O)CC HL0062 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.1 CCCC(=O)NN JZ2316 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCCC(=O)OC XJ1144 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.1 CCCC(=O)SC XJ2150 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.1 CCCC(Br)CBr JZ2283 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CCCC(C)C#N YH11272 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 CCCC(C)CC HL0060 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.1 CCC\C(N)=N\O XJ4957 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCOC(=O)CBr JZ0369 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 CCOC(=O)CN JZ1544 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 CCSC(=O)CC LT5718 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.1 CNCC(=O)OC JZ4592 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 CNCC(O)CO LT2424 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 COC(=O)CCN LT4189 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 COC(=O)CCS JZ2165 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 COCC(O)CCl HL2667 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.1 COCC(O)CO LT2370 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.1 COC[C@@H](N)CO LX2569 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.1 CSC(C)CC=O LT2625 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 N#CC[C@H](O)CCl LQ5539 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.1 N[C@H](CS)CCS RT1463 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.1 OCC[C@@H](O)CO YH14636 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.1 OCC[C@H](O)CO LQ5089 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 BrCCC(Br)Br YH44143 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 C#CCC(C)O LQ2032 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.1 C(Cl)CC(=O)O CJ2142 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C=C(C)OCC LT1730 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 C=CCC(C)C LQ1324 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.1 C=CCC(C)O XJ1184 [1,0,0,0,0,0|0,0,2]=3 41 B5R0.1 CC#C[C@H](C)O HL4870 [1,0,0,0,0,0|0,0,2]=3 42 B5R0.1 CC(=O)CCS XJ5155 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 CC(Br)CCBr HL1367 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CC(C)CC#N XJ1183 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(C)CCCl HL1371 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CC(C)CCI XJ0935 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 CC(O)CC=O HL1375 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CCCC(=O)[O-] XJ2982 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CCCC(C)C HL1370 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 CCCC(C)C HL4500 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 CCCC(N)=O XJ0937 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 CCCC(N)=[NH2+] LX2780 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CCC[C@H](C)O LQ4668 [1,0,0,0,0,0|0,0,0]=1 54 B5R0.1 CCC[N+](=O)[O-] JZ5682 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CCC[N+](=O)[O-] LQ0374 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CCNC(C)=O XJ1192 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 CCOC(=O)O XJ1147 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CCO[Si](=O)O JZ3510 [1,0,0,0,0,0|2,1,0]=4 59 B5R0.1 CCSC(C)=O HL4138 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 CCSC(C)=O XJ1197 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 CN(C)CCCl HL2802 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CN(C)CCN HL1382 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CN(C)CCO HL1383 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CN(C)CCS LT4952 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CNCC(=O)O JZ4055 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CNCC(=O)O RT0428 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 COCC(C)=O LT7464 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 COCC(C)N XJ5266 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 COC[C@H](C)N XJ6713 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 CSCC(=O)O XJ2185 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 C[C@@H](N)CC#N YH66415 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 C[C@@H](N)CCO RT0497 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 C[C@@H](O)CCO SY0267 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.1 C[C@H](N)CC#N YH66374 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 NCCC(=O)O JZ0318 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 O=C(O)CCBr HL0088 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 O=C(O)CCS SY0092 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 BrCCCCBr RT17667 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.2 C#CCCCBr RT0013 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.2 C#CCCCC LQ1326 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.2 C#CCCCO XJ2908 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.2 C#CCCCS RT16516 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.2 C=CCCCBr XJ1587 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.2 CCC#CCBr RT0546 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.2 CCCCC#N LL0427 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.2 CCCCCI HL0274 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.2 CCCCNC LL0434 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.2 CCCCSC HL0277 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.2 CCCC[SnH]=O LQ5214 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 CCCN=C=O LL0443 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 CCCN=C=S HL0278 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 CCCOC=O LL0440 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 CCCOCCl JZ2364 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.2 CCCSC#N LQ2617 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.2 CCCSCC LT5403 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.2 CCNCCO LL0439 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.2 CCNNCC LQ3339 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.2 CCOCCBr HL0120 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.2 CCOCCCl HL0279 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.2 CCOCCO LL0444 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.2 CC\C=C\CC JZ3712 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.2 CNCCNC LL0436 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.2 CNCCOC LQ4938 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.2 COCCC#N LL0433 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 COCCC=O YH51649 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 COCCCCl LQ4914 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 COCCCN LT2986 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.2 CSCCC=O LT3092 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CSCCCN XJ2622 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.2 CSCCCO XJ0883 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 C\C=C\CCC XJ2577 [1,0,0,0,0,0|0,0,2]=3 112 B5R0.2 ClCCCCI XJ3625 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 ClCCOCCl HL0847 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.2 ICCCCI HL0276 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 N#CCCCBr XJ2830 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.2 NCCCCCl JZ1120 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 NCCCCN LL0428 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.2 NCCCCO XJ3835 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.2 NOCCCS RT0541 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.2 OCCCCCl LQ1521 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 OCCCCF RT1165 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 OCCOCCl RT1169 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.3 BrCC(Br)CBr LL0220 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.3 C#CC(O)CC HL2704 [1,0,0,0,0,0|0,0,2]=3 125 B5R0.3 C=C(CC)CC XJ1324 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.3 C=CC(C)CC XJ1323 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.3 C=CC(O)CO RT18762 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.3 CC(CO)CO JZ1881 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.3 CCC(=O)NC JZ4434 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.3 CCC(Br)CC XJ1961 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.3 CCC(C)C=O LL0224 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.3 CCC(C)CBr LQ2987 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.3 CCC(C)CBr LQ3410 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.3 CCC(C)CC LL0223 [1,0,0,0,0,0|1,0,0]=2 135 B5R0.3 CCC(C)CCl LQ1182 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.3 CCC(C)CO LL0587 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.3 CCC(C)NC LQ3344 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.3 CCC(Cl)CCl LQ1184 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.3 CCC(N)CC LQ1186 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.3 CCC(N)CO LL0227 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.3 CCC(S)CS XJ4247 [1,0,0,0,0,0|1,1,0]=3 142 B5R0.3 CCN(C)CC LQ1190 [1,0,0,0,0,0|2,0,0]=3 143 B5R0.3 CCN(O)CC HL2577 [1,0,0,0,0,0|1,0,0]=2 144 B5R0.3 CC[C@@H](C)CO LQ1183 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.3 CC[C@@H](O)CO LQ5013 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.3 CC[C@H](C)CBr LL0949 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.3 CC[C@H](O)CO HL4502 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.3 NC(CO)CO LL1303 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.3 NCC(O)CN LQ1188 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.3 NCC(O)CO JZ0486 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.3 NC[C@H](O)CO YH09994 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.3 NC[C@H](O)CO YH45696 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.3 O=C[C@H](O)CO LT7747 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.3 OC(CBr)CBr LL0228 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 OC(CCl)CCl LL0229 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 OCC(Br)CBr LL0222 [1,0,0,0,0,0|3,0,0]=4 157 B5R0.3 OCC(Br)CO RT0384 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.3 OCC(Cl)CCl LQ1185 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.3 OCC(Cl)CO RT1084 [1,0,0,0,0,0|3,0,0]=4 160 B5R0.3 OCC(O)CBr RT0218 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.3 OCC(O)CCl LL0230 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 OCC(O)CI RT1254 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.3 OCC(O)CO LT6375 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 OCC(O)CO RT14397 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 OCC(O)CO XJ4849 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.3 OCC(O)CS LL0232 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 OC[C@H](O)CBr YH33404 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.3 OC[C@H](O)CCl LT5275 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [1,0,0,0,0,0|2,0,0]=3 170 B7R0.2 CC(C)C[C@@H](N)CO LT4736 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.2 CCC(=O)OC(C)C JZ4049 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.2 CCC(C)CC(C)C XJ0315 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.2 CCC(N)CC(=O)O YH66442 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.2 CC[C@@H](N)CC(=O)O YH31614 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.2 CC[C@H](C)CC(=O)O LX2881 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.2 CC[C@H](C)CC(=O)O YH39271 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.2 CC[C@H](N)CC(=O)O YH34687 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.2 CN(C)CC(O)CO JZ0329 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.2 COC(=O)C[C@@H](C)O JZ2426 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.2 COC(=O)C[C@H](C)O LQ5263 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.2 NCC(O)CC(=O)O YH66693 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.2 [C@@H](N)(CO)CC(C)C JZ1582 [0,1,0,0,0,0|2,0,0]=3 183 B7R0.3 C#CC(O)CCCC JZ3102 [0,1,0,0,0,0|0,0,2]=3 184 B7R0.3 C=CCC[C@H](O)CCl YH66482 [0,1,0,0,0,0|1,0,1]=3 185 B7R0.3 CCC#CC(O)CC XJ5066 [0,1,0,0,0,0|0,0,1]=2 186 B7R0.3 CCCCC(=O)CC XJ0362 [0,1,0,0,0,0|0,0,2]=3 187 B7R0.3 CCCCC(=O)NC HL3084 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.3 CCCCC(C)CC HL0067 [0,1,0,0,0,0|1,0,0]=2 189 B7R0.3 CCCCC(O)CO RT17609 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.3 CCCOC(=O)CCl HL2914 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.3 CCCOC(=O)CN LQ3564 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.3 CCOCC(=O)OC RT17745 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.3 CCOCC(O)CCl HL2668 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.3 CC\C(C)=C\CCBr JZ5314 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.3 COC(=O)CCCCl LT5164 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.3 COC(=O)CCCO RT0271 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.3 COC(=O)CCSC LQ3661 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.3 COCCC(=O)OC LQ2522 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.3 COCO[C@@H](C)CO CJ3006 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.3 COCO[C@H](C)CO CJ2789 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.3 [N-]=[N+]=NCC(O)CCl RT0041 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.5 CCCC(=O)C(C)=O LQ2544 [0,1,0,0,0,0|0,0,3]=4 203 B7R0.5 CCCC(=O)N(C)C XJ1325 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.5 CCCC(C)C(=O)Cl LQ2858 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.5 CCCC(C)C(=O)O LL0280 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.5 CCCC(O)C(C)C LQ1202 [0,1,0,0,0,0|0,0,0]=1 207 B7R0.5 CCC[C@H](C)C(=O)O RT0270 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.5 CCC[C@H](N)C(=O)O LT7574 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.5 CCOC(=O)C(C)Br LL0957 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.5 CCOC(=O)C(C)F LQ5515 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.5 CCOC(=O)C(C)O HL0374 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.5 CCOC(=O)[C@@H](C)N JZ1462 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.5 CCOC(=O)[C@H](C)O RT17626 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.5 NCC[C@H](O)C(=O)O LT4053 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.7 C=C(OCC)OCC YH65772 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.7 C=CCC(O)CC=C LQ2330 [0,1,0,0,0,0|0,0,3]=4 217 B7R0.7 C=CCC(O)CCC JZ2295 [0,1,0,0,0,0|0,0,1]=2 218 B7R0.7 CC(CCBr)CCBr XJ2711 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.7 CC(CCO)CCO XJ2710 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.7 CCCC(=O)OCCl LQ4784 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.7 CCCC(Br)CCC HL0633 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.7 CCCN(C)CCC HL2547 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.7 CCCS(=O)CCC LQ2622 [0,1,0,0,0,0|1,0,1]=3 224 B7R0.7 CCNC(=O)NCC XJ1156 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.7 CCOC(=O)CCCl XJ1154 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.7 CCOC(=O)CCN LT4188 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.7 CCOC(=O)CCS LQ2910 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.7 CCOC(=S)SCC XJ1157 [0,1,0,0,0,0|1,1,1]=4 229 B7R0.7 CCOC(=S)SCC XJ1158 [0,1,0,0,0,0|1,1,1]=4 230 B7R0.7 CCOC(=S)SCC XJ1396 [0,1,0,0,0,0|1,1,1]=4 231 B7R0.7 CCOP(C)OCC LQ3899 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.7 CCOS(=O)OCC XJ1159 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.7 CN(CCCl)CCCl LQ0036 [0,1,0,0,0,0|3,0,0]=4 234 B7R0.7 CN(CCO)CCO RT1442 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.7 CN(CCO)CCO XJ0326 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.7 COCC(O)COC XJ1152 [0,1,0,0,0,0|1,0,0]=2 237 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,1,0,0,0,0|0,0,1]=2 238 B7R0.7 O=C(CCBr)CCBr YH33973 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.10 BrCC(Br)C(Br)CBr LQ1843 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.10 CCC(C)C(=O)OC XJ1392 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.10 CCC(C)C(N)CO LT7578 [0,1,0,0,0,0|2,0,0]=3 243 B7R0.10 CCC(N)C(=O)OC RT5378 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.10 CCC(N)C(=O)OC RT5379 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.10 CC[C@@H](N)C(=O)OC YH90152 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.10 O=C[C@H](O)[C@H](O)CO XJ1003 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.10 OC(CBr)C(O)CBr YH34708 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.10 OC(CS)C(O)CS XJ4944 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.10 OC[C@H](O)[C@H](O)CO LT7467 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.10 O[C@H](CS)[C@@H](O)CS JZ3019 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.11 C=CCC(C)(C)CC YH38506 [0,1,0,0,0,0|1,0,2]=4 252 B7R0.11 CCCC(C)(Cl)CC LQ5130 [0,1,0,0,0,0|1,0,0]=2 253 B7R0.11 CCCC(C)(O)CC LQ1129 [0,1,0,0,0,0|0,0,0]=1 254 B7R0.11 CCS(=O)(=O)CCO HL1909 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.11 CCSS(=O)(=O)CC HL0355 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.11 COC(C)(C)CCO HL4652 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.11 COCC(C)(O)CCl LT2283 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.12 C=CCC(CO)CO YH22206 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.12 CCCC(CO)CO LT1803 [0,1,0,0,0,0|1,0,0]=2 260 B7R0.12 CCCN(CC)N=O RT17895 [0,1,0,0,0,0|1,0,1]=3 261 B7R0.12 CCN(CC)CCCl XJ1399 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.12 CCN(CC)CCN HL1261 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.12 CCN(CC)CCO HL1262 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.12 CCN(CC)CCO LT5094 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.12 CCN(CC)CCS LT6528 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.12 COC(CSC)OC LT1531 [0,1,0,0,0,0|2,0,0]=3 267 B7R1.1 BrCC1CCCO1 JZ4457 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.1 Br[Mg]C1CCCC1 YH54994 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.1 C#CC1CCCC1 LQ1549 [0,0,0,1,0,0|1,0,2]=4 270 B7R1.1 CCC1=NCCC1 RT14089 [0,0,0,1,0,0|1,0,1]=3 271 B7R1.1 CCC1=NCCO1 XJ4890 [0,0,0,1,0,0|1,0,1]=3 272 B7R1.1 CCN1CCCC1 LQ3265 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.1 CNC1CCOC1 YH51455 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.1 CN[C@@H]1CCNC1 YH33765 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.1 COC1CCCC1 JZ2800 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.1 CO[C@@H]1CCNC1 RT17416 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.1 N#CC1CCCC1 LQ2602 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.1 N#C[C@@H]1CCCN1 XJ6095 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.1 NCC1CCCN1 YH08114 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.1 NCC1CCNC1 YH13177 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.1 O=CC1CCCC1 XJ1419 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.1 O=CC1CCCO1 LX2512 [0,0,0,1,0,0|1,0,1]=3 283 B7R1.1 OCC1CCCN1 RT14572 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.1 OCC1CCCO1 YH98620 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.1 OC[C@@H]1CCCN1 LT7573 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.1 OC[C@@H]1CCCN1 LT7642 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.1 OC[C@@H]1CCNC1 LL1852 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.1 OC[C@H]1CCNC1 LL1853 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,0,0,1,0,0|0,0,2]=3 290 B7R1.2 CC1CCC(C)O1 HL0575 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.2 CN1CCC(=O)C1 XJ6122 [0,0,0,1,0,0|1,0,2]=4 292 B7R1.2 CN1CCC(O)C1 LX2405 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.2 CN1CC[C@@H](N)C1 YH88427 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.2 CN1CC[C@@H](O)C1 YH22686 [0,0,0,1,0,0|1,0,0]=2 295 B7R1.2 CN1CC[C@H](N)C1 YH66272 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.2 CN1CC[C@H](O)C1 XJ6769 [0,0,0,1,0,0|1,0,0]=2 297 B7R1.2 N[C@@H]1CC[C@@H](O)C1 YH65478 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.2 N[C@@H]1CC[C@H](F)C1 RT0640 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.2 N[C@H]1CC[C@@H](O)C1 YH24807 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.2 N[C@H]1CC[C@H](O)C1 YH65948 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.2 O=C1CC(O)CN1 RT4517 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.3 BrC1CCOCC1 YH49891 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.3 CC1=CCCCC1 HL0101 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.3 CC1CCCCC1 LQ0421 [0,0,0,1,0,0|1,0,0]=2 307 B7R1.3 CC1CCCCN1 LQ0427 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.3 CC1CCNCC1 HL0233 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.3 CC1COCCN1 YH00913 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.3 CN1CCNCC1 JZ0117 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.3 CN1CCNCC1 RT14568 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.3 CN1CCOCC1 LT7334 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,0,0,1,0,0|2,0,0]=3 314 B7R1.3 C[C@@H]1COCCN1 XJ6283 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.3 C[C@@H]1COCCN1 YH65950 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,0,0,1,0,0|2,0,0]=3 317 B7R1.3 C[C@H]1CCCNC1 HL0232 [0,0,0,1,0,0|2,0,0]=3 318 B7R1.3 C[C@H]1CNCCN1 HL4115 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.3 C[C@H]1CNCCN1 YH16978 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.3 ClC1CCNCC1 XJ2904 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.3 FC1CCNCC1 XJ5827 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.3 IC1CCCCC1 HL0234 [0,0,0,1,0,0|1,0,0]=2 323 B7R1.3 N=C1CCCCN1 LT0382 [0,0,0,1,0,0|2,0,1]=4 324 B7R1.3 NC1CCCCC1 JZ0026 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.3 NC1CCCCC1 LT4681 [0,0,0,1,0,0|1,0,0]=2 326 B7R1.3 NC1CCCCC1 RT1317 [0,0,0,1,0,0|1,0,0]=2 327 B7R1.3 NC1CCCNC1 YH06108 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.3 NC1CCCNC1 YH33541 [0,0,0,1,0,0|2,0,0]=3 329 B7R1.3 NC1CCNCC1 LQ3556 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.3 NC1CCNCC1 LQ4843 [0,0,0,1,0,0|2,0,0]=3 331 B7R1.3 NC1CCOCC1 LT5833 [0,0,0,1,0,0|2,0,0]=3 332 B7R1.3 NC1CCOCC1 YH54791 [0,0,0,1,0,0|2,0,0]=3 333 B7R1.3 NN1CCCCC1 RT4329 [0,0,0,1,0,0|2,0,0]=3 334 B7R1.3 NN1CCCCC1 XJ2051 [0,0,0,1,0,0|2,0,0]=3 335 B7R1.3 N[C@@H]1CCCNC1 YH55144 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.3 N[C@H]1CCCNC1 HL4050 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.3 N[C@H]1CCCNC1 LT0322 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.3 O=C1CCCCC1 LQ0425 [0,0,0,1,0,0|0,0,2]=3 339 B7R1.3 O=C1CCCNC1 YH04125 [0,0,0,1,0,0|1,0,2]=4 340 B7R1.3 O=C1CCCNC1 YH10216 [0,0,0,1,0,0|1,0,2]=4 341 B7R1.3 O=C1CCNCC1 YH00798 [0,0,0,1,0,0|1,0,2]=4 342 B7R1.3 O=C1CCOCC1 XJ5024 [0,0,0,1,0,0|1,0,2]=4 343 B7R1.3 OC1C=CCCC1 YH66647 [0,0,0,1,0,0|0,0,2]=3 344 B7R1.3 OC1CCCCN1 LQ5146 [0,0,0,1,0,0|1,0,0]=2 345 B7R1.3 OC1CCCNC1 HL4242 [0,0,0,1,0,0|1,0,0]=2 346 B7R1.3 OC1CCCNC1 LT6809 [0,0,0,1,0,0|1,0,0]=2 347 B7R1.3 OC1CCCOC1 RT0503 [0,0,0,1,0,0|1,0,0]=2 348 B7R1.3 OC1CCCSC1 RT19790 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.3 OC1CCNCC1 RT17686 [0,0,0,1,0,0|1,0,0]=2 350 B7R1.3 OC1CCOCC1 HL2134 [0,0,0,1,0,0|1,0,0]=2 351 B7R1.3 OC1CCOCC1 YH45458 [0,0,0,1,0,0|1,0,0]=2 352 B7R1.3 OC1COCOC1 LL1585 [0,0,0,1,0,0|2,0,0]=3 353 B7R1.3 ON1CCCCC1 LT0352 [0,0,0,1,0,0|1,0,0]=2 354 B7R1.3 O[C@@H]1CCCNC1 LT0319 [0,0,0,1,0,0|1,0,0]=2 355 B7R1.3 O[C@H]1CCCNC1 HL4109 [0,0,0,1,0,0|1,0,0]=2 356 B7R1.3 [C@@H]1(C)CNCCN1 LT6105 [0,0,0,1,0,0|3,0,0]=4 357 B7R1.4 CC1CCCC1N RT0500 [0,0,0,1,0,0|1,0,0]=2 358 B7R1.4 CC1CCCC1O XJ4791 [0,0,0,1,0,0|0,0,0]=1 359 B7R1.4 CC1CCNC1=O YH49833 [0,0,0,1,0,0|1,0,2]=4 360 B7R1.4 CC1CCOC1=O LQ1890 [0,0,0,1,0,0|1,0,2]=4 361 B7R1.4 CC1OCCC1=O LT1811 [0,0,0,1,0,0|1,0,2]=4 362 B7R1.4 CC1SCCC1=O LT1812 [0,0,0,1,0,0|1,0,2]=4 363 B7R1.4 CN1CCCC1=O RT4374 [0,0,0,1,0,0|1,0,2]=4 364 B7R1.4 CN1CCCC1=O XJ2240 [0,0,0,1,0,0|1,0,2]=4 365 B7R1.4 CN1CCCC1=S LQ3417 [0,0,0,1,0,0|1,1,1]=4 366 B7R1.4 NC1CCCC1O YH93843 [0,0,0,1,0,0|1,0,0]=2 367 B7R1.4 N[C@@H]1CCC[C@H]1O LT5725 [0,0,0,1,0,0|1,0,0]=2 368 B7R1.4 N[C@@H]1CCC[C@H]1O RT0409 [0,0,0,1,0,0|1,0,0]=2 369 B7R1.4 N[C@@H]1CCC[C@H]1O YH54046 [0,0,0,1,0,0|1,0,0]=2 370 B7R1.4 N[C@@H]1COC[C@@H]1O RT4250 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.4 N[C@H]1COC[C@H]1O RT4251 [0,0,0,1,0,0|2,0,0]=3 372 B7R1.4 O=C1OCCC1O LT6912 [0,0,0,1,0,0|2,0,1]=4 373 B7R1.6 ClCCN1CCC1 YH26565 [0,0,0,1,0,0|3,0,0]=4 374 B7R1.21 CCOC1(O)CC1 YH65469 [0,0,0,1,0,0|1,0,0]=2 375 B7R1.22 O=C(CBr)C1CC1 YH14275 [0,0,0,1,0,0|1,0,2]=4 376 B7R1.25 CC1(CO)CCO1 YH09979 [0,0,0,1,0,0|3,0,0]=4 377 B7R1.25 CC1(CO)COC1 SY0220 [0,0,0,1,0,0|3,0,0]=4 378 B4R0.1 C#CC(C)O JZ2135 [2,0,0,0,0,0|0,0,2]=4 379 B4R0.1 C=C(C)CC LQ1059 [2,0,0,0,0,0|1,0,1]=4 380 B4R0.1 CC(Br)CBr LL0123 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.1 CC(Br)CCl XJ2375 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.1 CC(C)CI HL1913 [2,0,0,0,0,0|2,0,0]=4 383 B4R0.1 CC(C)CS HL1915 [2,0,0,0,0,0|2,0,0]=4 384 B4R0.1 CC(N)CN YH43801 [2,0,0,0,0,0|2,0,0]=4 385 B4R0.1 CC(N)CO JZ1400 [2,0,0,0,0,0|2,0,0]=4 386 B4R0.1 CC(O)CF YH01374 [2,0,0,0,0,0|1,0,0]=3 387 B4R0.1 CCB(O)O XJ2684 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.1 CCC(C)I LT2185 [2,0,0,0,0,0|1,0,0]=3 389 B4R0.1 CC[C@@H](C)N JZ3698 [2,0,0,0,0,0|1,0,0]=3 390 B4R0.1 COC(C)C RT17590 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.1 CSC(C)C LT4098 [2,0,0,0,0,0|2,0,0]=4 392 B4R0.1 C[C@@H](N)CN YH65431 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.1 C[C@@H](O)CN LT7643 [2,0,0,0,0,0|1,0,0]=3 394 B4R0.1 C[C@H](Cl)CO JZ5320 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.1 C[C@H](Cl)CO XJ5311 [2,0,0,0,0,0|2,0,0]=4 396 B4R0.1 C[C@H](N)CO HL2372 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.1 C[C@H](N)CO LT7580 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.1 C[C@H](O)CCl JZ5302 [2,0,0,0,0,0|1,0,0]=3 399 B4R0.1 [C@@H](C)(O)CO LQ2624 [2,0,0,0,0,0|1,0,0]=3 400 B4R0.2 C#CCCC HL0250 [2,0,0,0,0,0|0,0,2]=4 401 B4R0.2 C#CCCO LT6746 [2,0,0,0,0,0|0,0,2]=4 402 B4R0.2 CC#CCO XJ1336 [2,0,0,0,0,0|0,0,2]=4 403 B4R0.2 CCCCN LQ2553 [2,0,0,0,0,0|1,0,0]=3 404 B4R0.2 CCCCS LL0387 [2,0,0,0,0,0|0,1,0]=3 405 B4R0.2 CCCC[O-] HL2476 [2,0,0,0,0,0|0,0,1]=3 406 B4R0.2 CCCC[O-] LQ4485 [2,0,0,0,0,0|0,0,1]=3 407 B4R0.2 CCC[Mg]Br LQ1517 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.2 CCC[Mg]Cl XJ2093 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.2 CCC[Zn-]Br HL3580 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.2 CCOCC LL1197 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.2 CCOCC XJ5008 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.2 CCSSC LQ4240 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.2 CC[AlH3+]CC LL0219 [2,0,0,0,0,0|1,0,0]=3 414 B4R0.2 CC[N-]CC RT4825 [2,0,0,0,0,0|1,0,0]=3 415 B4R0.2 CC[NH2+]CC XJ6105 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.2 CC[Se]CC RT0534 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.2 CNCCCl RT4724 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.2 CNCCCl YH54353 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 CNCCN LL0389 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.2 COCCN LL0392 [2,0,0,0,0,0|2,0,0]=4 421 B4R0.2 COCCO XJ3502 [2,0,0,0,0,0|1,0,0]=3 422 B4R0.2 CSCCO JZ2661 [2,0,0,0,0,0|1,0,0]=3 423 B4R0.2 C\C=C/CO YH00287 [2,0,0,0,0,0|0,0,2]=4 424 B4R0.2 C\C=C\CC XJ1213 [2,0,0,0,0,0|0,0,2]=4 425 B4R0.2 ClCCCI JZ3062 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.2 FCCCBr SY0223 [2,0,0,0,0,0|2,0,0]=4 427 B4R0.2 N#CCCO RT1105 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.2 NCCCBr HL2839 [2,0,0,0,0,0|2,0,0]=4 429 B4R0.2 NCCCCl LT6768 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.2 NNCCO LT2306 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.2 OCCCBr HL0249 [2,0,0,0,0,0|1,0,0]=3 432 B4R0.2 OCCCI HL0254 [2,0,0,0,0,0|1,0,0]=3 433 B4R0.2 OCCCO XJ0879 [2,0,0,0,0,0|1,0,0]=3 434 B4R0.2 SCCCS LL0388 [2,0,0,0,0,0|1,1,0]=4 435 B6R0.2 CC(=O)CC(C)C LQ0378 [1,1,0,0,0,0|0,0,2]=4 436 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.2 CC(C)CB(O)O XJ6479 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.2 CC(C)CC(=O)O XJ0871 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.2 CC(C)CC(C)C LQ0376 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.2 CC(C)CC(C)N XJ6268 [1,1,0,0,0,0|1,0,0]=3 441 B6R0.2 CC(C)C[C@H](C)O JZ4964 [1,1,0,0,0,0|0,0,0]=2 442 B6R0.2 CC(C)NC(C)C YH12518 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.2 CC(Cl)CN(C)C HL0587 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.2 CC(Cl)CN(C)C HL2803 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.2 CC(N)CC(=O)O JZ1398 [1,1,0,0,0,0|1,0,1]=4 446 B6R0.2 CC(O)CC(=O)O LL0657 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.2 CC(O)CC(C)O XJ1198 [1,1,0,0,0,0|0,0,0]=2 450 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,1,0,0,0,0|1,0,1]=4 453 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,1,0,0,0,0|1,0,1]=4 454 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.2 C[C@H](O)CN(C)C YH05901 [1,1,0,0,0,0|1,0,0]=3 456 B6R0.3 CC(C)[C@@H](C)CO RT0504 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.3 CC(C)[C@H](C)CBr RT1116 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.3 CC(C)[C@H](C)CO RT1115 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.3 CC(C)[C@H](N)CO LT7570 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.3 CCC(C)C(C)C LL0990 [1,1,0,0,0,0|1,0,0]=3 461 B6R0.3 CCC(Cl)C(=O)O HL2688 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.3 CCC(N)C(=O)O JZ1396 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.3 CCC(N)C(=O)O JZ1397 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.3 CCC(O)C(C)C LL0993 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.3 CCC(S)C(C)=O LL1144 [1,1,0,0,0,0|0,0,2]=4 466 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.3 COC(=O)[C@@H](C)O RT0506 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.3 C[C@@H](O)[C@H](N)CO JZ2276 [1,1,0,0,0,0|1,0,0]=3 471 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.4 C#CCCC(C)C JZ1939 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.4 C=CCCC(C)C JZ2300 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.4 CC(Br)CCCBr HL0239 [1,1,0,0,0,0|1,0,0]=3 475 B6R0.4 CC(C)CCC=O RT0502 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.4 CC(C)CCCBr HL0240 [1,1,0,0,0,0|1,0,0]=3 477 B6R0.4 CC(C)OCCO LQ0441 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.4 CC(N)CCCO RT0123 [1,1,0,0,0,0|1,0,0]=3 479 B6R0.4 CCC#CC(C)O LT2389 [1,1,0,0,0,0|0,0,1]=3 480 B6R0.4 CCCCC(C)Br HL2516 [1,1,0,0,0,0|1,0,0]=3 481 B6R0.4 CCCNC(C)=O JZ2722 [1,1,0,0,0,0|0,0,2]=4 482 B6R0.4 CCCSC(C)C HL2844 [1,1,0,0,0,0|1,0,0]=3 483 B6R0.4 CN(C)CCCBr LQ5309 [1,1,0,0,0,0|2,0,0]=4 484 B6R0.4 CN(C)CCCBr YH08472 [1,1,0,0,0,0|2,0,0]=4 485 B6R0.4 CN(C)CCCCl HL0729 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.4 CN(C)CCCCl HL2943 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.4 CN(C)CCCCl LQ0440 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.4 CN(C)CCCN RT1449 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.4 CN(C)CCCO LT2968 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.4 CNCCN(C)C XJ0598 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.4 COCCC(=O)O LQ2190 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.4 COCCC(C)O LT2442 [1,1,0,0,0,0|0,0,0]=2 493 B6R0.4 CSCCC(C)=O LT2666 [1,1,0,0,0,0|0,0,2]=4 494 B6R0.4 NCCCC(=O)O CJ3094 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.4 O=C(O)CCCBr JZ2086 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.4 O=C(O)CCCS RT19786 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.5 CC(C)(C)CCBr HL0956 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.5 CC(C)(C)CCO XJ1179 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.5 CC(C)(N)CCO YH01120 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.5 CC(C)(O)CCBr RT0161 [1,1,0,0,0,0|1,0,0]=3 501 B6R0.5 CC(C)(O)CCCl RT0158 [1,1,0,0,0,0|1,0,0]=3 502 B6R0.5 CCCC(C)(C)Cl LQ2678 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.5 CCCC(C)(C)O HL0081 [1,1,0,0,0,0|0,0,0]=2 504 B6R0.5 CCCS(=O)(=O)O JZ2673 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.5 CCC[N+](C)(C)C RT0535 [1,1,0,0,0,0|2,0,0]=4 506 B6R0.5 CCOC(C)(C)C JZ4054 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.5 COCC(C)(C)O JZ2366 [1,1,0,0,0,0|1,0,0]=3 508 B6R0.6 BrCCNCCBr RT17682 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.6 BrCCOCCBr HL2958 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.6 C#CCCCCC HL0285 [1,1,0,0,0,0|0,0,1]=3 511 B6R0.6 C#CCCCCO LQ1526 [1,1,0,0,0,0|0,0,2]=4 512 B6R0.6 C=CCCCCCl LQ1525 [1,1,0,0,0,0|0,0,2]=4 513 B6R0.6 CCCC#CCO XJ1342 [1,1,0,0,0,0|0,0,2]=4 514 B6R0.6 CCCCCC#N HL0286 [1,1,0,0,0,0|0,0,1]=3 515 B6R0.6 CCCCCCCl HL1956 [1,1,0,0,0,0|0,0,0]=2 516 B6R0.6 CCCCCCI JZ4066 [1,1,0,0,0,0|0,0,0]=2 517 B6R0.6 CCCCCCO XJ0385 [1,1,0,0,0,0|0,0,0]=2 518 B6R0.6 CCCCCCS XJ0387 [1,1,0,0,0,0|0,0,0]=2 519 B6R0.6 CCCCCNC LT5645 [1,1,0,0,0,0|0,0,0]=2 520 B6R0.6 CCCCC[Mg]Cl JZ2964 [1,1,0,0,0,0|1,0,0]=3 521 B6R0.6 CCCCN=C=S HL0124 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.6 CCCCOCC HL0289 [1,1,0,0,0,0|0,0,0]=2 523 B6R0.6 CCCCOCCl LT4489 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.6 CCCCSC#N HL0290 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.6 CCCCSCC JZ4067 [1,1,0,0,0,0|0,0,0]=2 526 B6R0.6 CCCNCCC RT1163 [1,1,0,0,0,0|0,0,0]=2 527 B6R0.6 CCCSSCC LT5405 [1,1,0,0,0,0|1,0,0]=3 528 B6R0.6 CCCSSSC JZ1910 [1,1,0,0,0,0|2,0,0]=4 529 B6R0.6 CCC\C=C/CO LQ1528 [1,1,0,0,0,0|0,0,2]=4 530 B6R0.6 CCNCCC#N RT4893 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.6 CCNCCCN HL4191 [1,1,0,0,0,0|1,0,0]=3 532 B6R0.6 CCOCCC#N LQ3792 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.6 CCOCCC#N LT2930 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.6 CCOCCCCl XJ5236 [1,1,0,0,0,0|1,0,0]=3 535 B6R0.6 CCOCCOC LQ2802 [1,1,0,0,0,0|1,0,0]=3 536 B6R0.6 CCSCSCC RT19812 [1,1,0,0,0,0|1,0,0]=3 537 B6R0.6 CCSSSCC JZ2380 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.6 CC\C=C/CCO LT4581 [1,1,0,0,0,0|0,0,2]=4 539 B6R0.6 CC\C=C\CCC HL0123 [1,1,0,0,0,0|0,0,1]=3 540 B6R0.6 CC\C=C\OCC LQ1533 [1,1,0,0,0,0|0,0,2]=4 541 B6R0.6 CNCCCNC XJ0389 [1,1,0,0,0,0|1,0,0]=3 542 B6R0.6 CSCCCSC LQ4459 [1,1,0,0,0,0|1,0,0]=3 543 B6R0.6 C\C=C\CCCO XJ3000 [1,1,0,0,0,0|0,0,2]=4 544 B6R0.6 C\C=C\SCCC YH55419 [1,1,0,0,0,0|0,0,2]=4 545 B6R0.6 ClCCCCCI XJ5888 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.6 ClCCNCCCl LQ1470 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.6 ClCCOCCI YH66175 [1,1,0,0,0,0|2,0,0]=4 548 B6R0.6 ICCCCCI HL0288 [1,1,0,0,0,0|1,0,0]=3 549 B6R0.6 N#CCCCCBr HL2959 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.6 NCCCCCBr RT0436 [1,1,0,0,0,0|1,0,0]=3 551 B6R0.6 NCCCCCN LQ0829 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.6 NCCCCCO HL2296 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.6 NCCNCCN XJ0391 [1,1,0,0,0,0|2,0,0]=4 554 B6R0.6 NCCNCCO JZ0125 [1,1,0,0,0,0|2,0,0]=4 555 B6R0.6 NCCOCCO LQ1534 [1,1,0,0,0,0|2,0,0]=4 556 B6R0.6 O=CCCCCO YH66094 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.6 OCCCCCCl JZ2653 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.6 OCCNCCO LT7673 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.6 OCCOCCCl JZ0962 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.6 OCCSCCO XJ0395 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.6 SCCSCCS JZ2349 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.8 C#CC(C)(O)CC LT2616 [1,1,0,0,0,0|0,0,2]=4 563 B6R0.8 C=CC(C)(O)CC HL0539 [1,1,0,0,0,0|0,0,2]=4 564 B6R0.8 CCC(C)(C)CC LQ1054 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.8 CCC(C)(O)C#N RT17545 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.8 CCP(=O)(Cl)CC XJ1551 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.8 CCS(=O)(=O)CC LQ1119 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.8 CC[Sn](Cl)(Cl)CC XJ1383 [1,1,0,0,0,0|2,0,0]=4 569 B6R0.9 CCC(CC)CN LQ1208 [1,1,0,0,0,0|1,0,0]=3 570 B6R0.9 CCN(C=O)CC LQ1209 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.9 CCN(CC)CC JZ4026 [1,1,0,0,0,0|2,0,0]=4 572 B6R0.9 CCN(CC)CC XJ1326 [1,1,0,0,0,0|2,0,0]=4 573 B6R0.9 CCN(CC)CC YH28671 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.9 CC[SiH](CC)CC LT6209 [1,1,0,0,0,0|1,1,0]=4 575 B6R0.9 COC(CBr)OC LT7038 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.9 COC(CCl)OC LT7109 [1,1,0,0,0,0|2,0,0]=4 577 B6R0.9 COC(CN)OC LT6925 [1,1,0,0,0,0|2,0,0]=4 578 B6R0.9 OCC(CO)CO YH02578 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.9 [BH-](CC)(CC)CC YH47632 [1,1,0,0,0,0|2,0,0]=4 580 B8R0.2 CCC(C)C(C)C(C)O LQ4705 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.2 CCC(O)C(C)[N+](=O)[O-] RT17491 [0,2,0,0,0,0|2,0,0]=4 582 B8R0.5 CCCC(O)CC(=O)O RT0532 [0,2,0,0,0,0|0,0,1]=3 583 B8R0.5 CCOC(=O)CC(C)O HL2936 [0,2,0,0,0,0|0,0,2]=4 584 B8R0.16 CCN(CC)CC(C)O JZ2532 [0,2,0,0,0,0|2,0,0]=4 585 B8R0.16 COC(CN(C)C)OC LT5326 [0,2,0,0,0,0|2,0,0]=4 586 B8R0.19 CCC(C)NC(C)CC HL0224 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.19 CCC(C)NC(C)CC XJ0368 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.19 CCC(C)SC(C)CC HL0225 [0,2,0,0,0,0|1,0,0]=3 589 B8R0.19 COC(=O)C[C@H](O)CBr YH93213 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.23 CC(C)CC(O)C(=O)O XJ0828 [0,2,0,0,0,0|1,0,1]=4 591 B8R0.24 C[N+](C)(C)CC(O)CCl LT2336 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.34 CCC(C)(O)CC(C)C HL2724 [0,2,0,0,0,0|0,0,0]=2 593 B8R0.1 C=CCC(O)CCCC LQ5051 [0,2,0,0,0,0|0,0,1]=3 594 B8R0.1 CCCC(=O)OCSC XJ6296 [0,2,0,0,0,0|0,0,2]=4 595 B8R0.1 CCCCN(C)CCN XJ4506 [0,2,0,0,0,0|2,0,0]=4 596 B8R0.1 CCCOC(=O)CCC XJ0331 [0,2,0,0,0,0|0,0,2]=4 597 B8R0.1 CCOC(=O)CCCBr LT5161 [0,2,0,0,0,0|0,0,2]=4 598 B8R0.1 CCOC(=O)CCCN JZ3049 [0,2,0,0,0,0|0,0,2]=4 599 B8R0.1 CCOC(=O)CCSC LT5684 [0,2,0,0,0,0|0,0,2]=4 600 B8R0.1 CCOCC(=O)OCC LQ1457 [0,2,0,0,0,0|0,0,2]=4 601 B8R0.3 CCCC(Br)C(=O)OC JZ5299 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.3 CCCC(O)C(C)CC HL2017 [0,2,0,0,0,0|0,0,0]=2 603 B8R0.3 CCCC(O)C(O)CO HL4890 [0,2,0,0,0,0|0,0,0]=2 604 B8R0.3 CCC[C@H](N)C(=O)OC YH07449 [0,2,0,0,0,0|1,0,1]=4 605 B8R0.3 CCOC(=O)C(Br)CC LL0944 [0,2,0,0,0,0|0,0,2]=4 606 B8R0.3 CCOC(=O)C(O)CCl RT1135 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.3 CC\C=C(/C)C(O)CC HL4673 [0,2,0,0,0,0|0,0,1]=3 608 B8R0.3 O=CC[C@H](O)[C@H](O)CO LT6525 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.6 C#CC(O)CCCCC LQ1462 [0,2,0,0,0,0|0,0,2]=4 610 B8R0.6 C#CCOCC(O)CO JZ3749 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.6 C=CC(O)CCCCC HL2529 [0,2,0,0,0,0|0,0,2]=4 612 B8R0.6 CCC#CCC(O)CC LQ5289 [0,2,0,0,0,0|0,0,0]=2 613 B8R0.6 CCCCCC(=O)CC HL1322 [0,2,0,0,0,0|0,0,2]=4 614 B8R0.6 CCCCCC(O)CC HL0071 [0,2,0,0,0,0|0,0,0]=2 615 B8R0.6 OCCCCC(O)CO HL1323 [0,2,0,0,0,0|1,0,0]=3 616 B8R0.8 CCCCC(C)C(C)=O LQ2154 [0,2,0,0,0,0|1,0,1]=4 617 B8R0.8 CCCCC(O)C(C)C LQ4085 [0,2,0,0,0,0|0,0,0]=2 618 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [0,2,0,0,0,0|0,0,2]=4 619 B8R0.8 CSCCC(O)C(=O)[O-] LX2742 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.9 CC(=O)OCC(O)CO LQ4515 [0,2,0,0,0,0|1,0,1]=4 621 B8R0.9 CC(C)NCC(O)CO RT4911 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.9 CCC(=O)OCC(C)C XJ0923 [0,2,0,0,0,0|0,0,2]=4 623 B8R0.9 CCC(C)CCC(C)N YH66030 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.11 C=CCCC(CC)CO RT0530 [0,2,0,0,0,0|0,0,1]=3 625 B8R0.11 CCCCC(C=O)CC XJ0494 [0,2,0,0,0,0|0,0,1]=3 626 B8R0.11 CCCCC(CC)CBr LQ4127 [0,2,0,0,0,0|1,0,0]=3 627 B8R0.11 CCCCC(CC)CCl XJ0493 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.11 CCCCC(CC)CN RT0570 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.11 CCCCC(CC)CO XJ0289 [0,2,0,0,0,0|0,0,0]=2 630 B8R0.11 CCCCC(CC)CS LQ3275 [0,2,0,0,0,0|0,1,0]=3 631 B8R0.11 CCCCC(CO)CO JZ2065 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.11 CCCCN(CC)N=O RT0217 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.11 CCN(CC)CCCO LT6135 [0,2,0,0,0,0|2,0,0]=4 634 B8R0.11 COC(CCCCl)OC XJ5012 [0,2,0,0,0,0|1,0,0]=3 635 B8R0.11 COCCC(OC)OC XJ4077 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.25 CCCCC(C)(C)CC JZ2461 [0,2,0,0,0,0|1,0,0]=3 637 B8R0.25 CCCCC(C)(O)CC JZ2784 [0,2,0,0,0,0|0,0,0]=2 638 B8R0.14 CCCC(=O)C(C)(C)C HL2939 [0,2,0,0,0,0|0,0,2]=4 639 B8R0.14 CCCC(O)C(C)(C)C HL2723 [0,2,0,0,0,0|0,0,0]=2 640 B8R0.15 CCCC(CC)C(=O)O RT16691 [0,2,0,0,0,0|0,0,0]=2 641 B8R0.22 C=CC(OCC)OCC YH53213 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.22 CCCC(C=O)CCC RT0259 [0,2,0,0,0,0|0,0,1]=3 643 B8R0.22 CCCN(CCC)N=O RT1151 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.22 CCN(CCO)CCO XJ0542 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.22 CCOC(CBr)OCC LT6204 [0,2,0,0,0,0|2,0,0]=4 646 B8R0.22 CCOC(CN)OCC LT3264 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.22 CCOC(CO)OCC JZ3980 [0,2,0,0,0,0|1,0,0]=3 648 B8R0.22 CCSC(C=O)SCC RT19836 [0,2,0,0,0,0|1,0,1]=4 649 B8R0.30 C=CCC(C)(O)CCC JZ4429 [0,2,0,0,0,0|0,0,1]=3 650 B8R0.30 CCC[Si](Cl)(Cl)CCC HL2195 [0,2,0,0,0,0|1,1,0]=4 651 B8R0.30 CCC[Sn](Cl)(Cl)CCC RT1177 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.30 CCOC(C)(C)OCC HL1527 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.31 CCCC(C)(CO)CO LL0107 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.31 CCCC(O)(CC)CC LQ1128 [0,2,0,0,0,0|0,0,0]=2 655 B8R0.31 CCCP(=O)(OC)OC RT1336 [0,2,0,0,0,0|2,0,0]=4 656 B6R1.2 BrC1CCCC1 LL0590 [1,0,0,1,0,0|1,0,0]=3 657 B6R1.2 CC1=NCCC1 XJ1415 [1,0,0,1,0,0|1,0,1]=4 658 B6R1.2 CC1=NCCO1 XJ1609 [1,0,0,1,0,0|1,0,1]=4 659 B6R1.2 CC1CCCC1 LL0238 [1,0,0,1,0,0|1,0,0]=3 660 B6R1.2 CC1CCCN1 XJ1351 [1,0,0,1,0,0|1,0,0]=3 661 B6R1.2 CC1CCCO1 YH65006 [1,0,0,1,0,0|0,0,0]=2 662 B6R1.2 CC1CCCS1 XJ1945 [1,0,0,1,0,0|0,1,0]=3 663 B6R1.2 CC1CCNC1 YH66261 [1,0,0,1,0,0|2,0,0]=4 664 B6R1.2 CC1SCCS1 JZ2801 [1,0,0,1,0,0|1,1,0]=4 665 B6R1.2 C[C@@H]1CCCN1 JZ0867 [1,0,0,1,0,0|1,0,0]=3 666 B6R1.2 C[C@H]1CCCN1 HL3677 [1,0,0,1,0,0|1,0,0]=3 667 B6R1.2 C[C@H]1CCNC1 YH66267 [1,0,0,1,0,0|2,0,0]=4 668 B6R1.2 ClC1CCCC1 LT4693 [1,0,0,1,0,0|1,0,0]=3 669 B6R1.2 NC1CCCC1 LT4694 [1,0,0,1,0,0|1,0,0]=3 670 B6R1.2 NC1CCNC1 LL1803 [1,0,0,1,0,0|2,0,0]=4 671 B6R1.2 NC1CCNC1 YH29002 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.2 N[C@@H]1CCNC1 JZ0225 [1,0,0,1,0,0|2,0,0]=4 673 B6R1.2 N[C@@H]1CCOC1 CJ2199 [1,0,0,1,0,0|2,0,0]=4 674 B6R1.2 N[C@H]1CCNC1 JZ0221 [1,0,0,1,0,0|2,0,0]=4 675 B6R1.2 N[C@H]1CCNC1 LT6128 [1,0,0,1,0,0|2,0,0]=4 676 B6R1.2 N[C@H]1CCOC1 XJ6762 [1,0,0,1,0,0|2,0,0]=4 677 B6R1.2 O=C1CCCO1 YH98377 [1,0,0,1,0,0|1,0,1]=4 678 B6R1.2 OC1CC=CC1 XJ4083 [1,0,0,1,0,0|0,0,2]=4 679 B6R1.2 OC1CCCO1 RT17572 [1,0,0,1,0,0|1,0,0]=3 680 B6R1.2 OC1CCNC1 HL4806 [1,0,0,1,0,0|1,0,0]=3 681 B6R1.2 OC1CCOC1 XJ0812 [1,0,0,1,0,0|1,0,0]=3 682 B6R1.2 O[C@@H]1CCNC1 HL2373 [1,0,0,1,0,0|1,0,0]=3 683 B6R1.2 O[C@@H]1CCNC1 JZ0855 [1,0,0,1,0,0|1,0,0]=3 684 B6R1.2 O[C@@H]1CCOC1 HL4808 [1,0,0,1,0,0|1,0,0]=3 685 B6R1.2 O[C@@H]1CCSC1 LT5798 [1,0,0,1,0,0|1,0,0]=3 686 B6R1.2 O[C@H]1CCNC1 JZ0222 [1,0,0,1,0,0|1,0,0]=3 687 B6R1.2 O[C@H]1CCNC1 XJ6747 [1,0,0,1,0,0|1,0,0]=3 688 B6R1.2 O[C@H]1CCOC1 HL4807 [1,0,0,1,0,0|1,0,0]=3 689 B6R1.2 O[C@H]1CCSC1 LT5717 [1,0,0,1,0,0|1,0,0]=3 690 B6R1.2 SC1CCCC1 LQ1887 [1,0,0,1,0,0|0,1,0]=3 691 B6R1.2 [Fe]C1CCCC1 HL0728 [1,0,0,1,0,0|1,0,0]=3 692 B6R1.2 [Fe]C1CCCC1 XJ1696 [1,0,0,1,0,0|1,0,0]=3 693 B6R1.3 ICCC1CC1 YH66394 [1,0,0,1,0,0|2,0,0]=4 694 B6R1.3 [C@@H]1(COC)CO1 LL1074 [1,0,0,1,0,0|1,0,0]=3 695 B6R1.5 CC1CC(=O)O1 HL2455 [1,0,0,1,0,0|1,0,1]=4 696 B6R1.5 CN1CC(N)C1 YH98280 [1,0,0,1,0,0|2,0,0]=4 697 B6R1.5 NC1CC(F)C1 RT0521 [1,0,0,1,0,0|2,0,0]=4 698 B6R1.5 NC1CC(N)C1 LX3212 [1,0,0,1,0,0|2,0,0]=4 699 B6R1.5 N[C@H]1C[C@@H](O)C1 YH65443 [1,0,0,1,0,0|1,0,0]=3 700 B6R1.8 CC1CC1CO JZ2852 [1,0,0,1,0,0|2,0,0]=4 701 B6R1.10 CC1(C)CNC1 YH93840 [1,0,0,1,0,0|2,0,0]=4 702 B6R1.10 CC1(N)COC1 YH91545 [1,0,0,1,0,0|2,0,0]=4 703 B6R1.11 CC(=O)C1CC1 LT4698 [1,0,0,1,0,0|0,0,2]=4 704 B6R1.11 C[C@H](N)C1CC1 LL2540 [1,0,0,1,0,0|1,0,0]=3 705 B6R1.11 OB(O)C1CC1 YH00422 [1,0,0,1,0,0|2,0,0]=4 706 B6R1.1 C1=CCCCC1 LL0447 [1,0,0,1,0,0|0,0,2]=4 707 B6R1.1 C1CC[NH2+]CC1 HL2776 [1,0,0,1,0,0|1,0,0]=3 708 B6R1.1 C1CNCCN1 JZ0122 [1,0,0,1,0,0|2,0,0]=4 709 B6R1.1 C1CNCCN1 JZ2867 [1,0,0,1,0,0|2,0,0]=4 710 B6R1.1 C1CNCCN1 LQ3756 [1,0,0,1,0,0|2,0,0]=4 711 B6R1.1 C1COCCN1 YH20292 [1,0,0,1,0,0|2,0,0]=4 712 B6R1.1 C1COCCO1 XJ5344 [1,0,0,1,0,0|2,0,0]=4 713 B6R1.1 C1COCCO1 XJ5710 [1,0,0,1,0,0|2,0,0]=4 714 B6R1.1 C1CSCCS1 XJ0886 [1,0,0,1,0,0|2,0,0]=4 715 B6R1.1 C1CSCSC1 XJ0885 [1,0,0,1,0,0|2,0,0]=4 716 B6R1.1 N1CCNCC1 HL1555 [1,0,0,1,0,0|2,0,0]=4 717 B6R1.6 BrCC1CCC1 YH39750 [1,0,0,1,0,0|1,0,0]=3 718 B6R1.6 CNC1CNC1 YH49217 [1,0,0,1,0,0|2,0,0]=4 719 B6R1.6 N#CC1CCC1 XJ2664 [1,0,0,1,0,0|1,0,1]=4 720 B6R1.6 NCC1CCC1 JZ2551 [1,0,0,1,0,0|1,0,0]=3 721 B6R1.6 OCC1CCC1 LT4668 [1,0,0,1,0,0|1,0,0]=3 722 B6R1.7 NC1(CO)CC1 LX2522 [1,0,0,1,0,0|2,0,0]=4 723 B6R1.7 NC1(CO)CC1 YH26091 [1,0,0,1,0,0|2,0,0]=4 724 B6R1.7 NCC1(O)CC1 YH16826 [1,0,0,1,0,0|1,0,0]=3 725 B8R1.1 CC1CCC(CO)O1 RT14154 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,1,0,1,0,0|0,0,2]=4 727 B8R1.4 CC1CCCC(C)C1 HL0097 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.4 CC1CCCC(O)C1 HL0098 [0,1,0,1,0,0|0,0,0]=2 729 B8R1.4 CC1CCNC(=N)C1 LT0381 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.4 CC1CNCC(C)C1 LQ4869 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.4 CC1CNCC(C)O1 XJ0589 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.4 CN1CCCC(N)C1 LT0403 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.4 CN1CCCC(O)C1 JZ2330 [0,1,0,1,0,0|0,0,0]=2 734 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,1,0,0|0,0,2]=4 735 B8R1.4 C[C@H]1CCC[C@@H](O)C1 LQ4462 [0,1,0,1,0,0|0,0,0]=2 736 B8R1.4 C[C@H]1CCC[C@H](C)N1 XJ1360 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.4 C[C@H]1CNC[C@@H](C)N1 LT0198 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.4 C[C@H]1CNC[C@@H](C)O1 RT15039 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.4 C[C@H]1COC[C@@H](C)N1 YH97076 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.4 C[C@H]1COC[C@H](C)N1 YH36836 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,1,0,1,0,0|0,0,2]=4 742 B8R1.4 NC1CCCC(O)C1 JZ2994 [0,1,0,1,0,0|0,0,0]=2 743 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.4 OC1CCCC(O)C1 XJ0873 [0,1,0,1,0,0|0,0,0]=2 745 B8R1.51 NC1CCC(F)(F)C1 CJ2131 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.83 COC(=O)C1OC1C RT15027 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.2 BrCC1COCCO1 RT8614 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.2 CCC1CCCCC1 LQ1884 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.2 CCC1CCCCN1 HL0893 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.2 CCN1CCCCC1 JZ0120 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.2 CCN1CCNCC1 JZ0119 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.2 CC[C@H]1CNCCN1 YH45335 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.2 CNC1CCCNC1 LT0416 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.2 CNC1CCNCC1 YH02204 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.2 CNC1CCOCC1 YH47081 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.2 Cl[Mg]C1CCCCC1 LQ1557 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.2 N#CC1CCCCC1 XJ1358 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.2 N#CC1CCCCN1 LT6523 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.2 N#CC1CCCNC1 YH17001 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.2 N#CC1CCNCC1 YH48709 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.2 NCC1CCCCO1 YH12666 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.2 NCC1CCCNC1 LQ4363 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.2 NCC1CCNCC1 LT0451 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.2 NCC1CCOCC1 HL3392 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.2 NNC1CCCCC1 LX2848 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.2 NNC1CCCCC1 YH12039 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.2 O=CC1CCCCC1 JZ0373 [0,1,0,1,0,0|0,0,1]=3 768 B8R1.2 O=CC1CCCCC1 LT7159 [0,1,0,1,0,0|0,0,1]=3 769 B8R1.2 O=CC1CCNCC1 YH04107 [0,1,0,1,0,0|1,0,1]=4 770 B8R1.2 O=CN1CCCCC1 JZ2045 [0,1,0,1,0,0|1,0,1]=4 771 B8R1.2 OCC1CCC=CO1 LT2060 [0,1,0,1,0,0|1,0,1]=4 772 B8R1.2 OCC1CCCCC1 HL1270 [0,1,0,1,0,0|0,0,0]=2 773 B8R1.2 OCC1CCCCN1 LT1609 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.2 OCC1CCCNC1 LT0402 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.2 OCC1CCNCC1 LT0484 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.2 OCC1CCOCC1 JZ4923 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.2 OCC1CNCCN1 YH52067 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.2 OCC1CNCCO1 HL3143 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.2 OCC1COCCN1 YH23562 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.2 OCC1COCCO1 RT8627 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.2 OC[C@@H]1CNCCN1 YH35885 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.2 OC[C@@H]1CNCCO1 YH31815 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.2 OC[C@H]1COCCN1 YH45867 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.2 ONC1CCCCC1 JZ5616 [0,1,0,1,0,0|0,0,0]=2 785 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,1,0,1,0,0|0,0,2]=4 786 B8R1.3 CC1CCC(N)CC1 LQ3073 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.3 CC1CCC(N)CC1 YH66269 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.3 CN1CCC(=O)CC1 RT15013 [0,1,0,1,0,0|0,0,2]=4 789 B8R1.3 CN1CCC(Cl)CC1 LT0472 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.3 CN1CCC(O)CC1 HL1315 [0,1,0,1,0,0|0,0,0]=2 791 B8R1.3 CN1CCC(O)CC1 XJ5174 [0,1,0,1,0,0|0,0,0]=2 792 B8R1.3 CN1CCN(N)CC1 LT2849 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.3 C[C@@H]1CN[C@H](C)CN1 YH10909 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.3 C[C@H]1CC[C@@H](N)CC1 RT3963 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.3 C[C@H]1CC[C@@H](O)CC1 JZ3188 [0,1,0,1,0,0|0,0,0]=2 796 B8R1.3 C[C@H]1CC[C@H](O)CC1 JZ3189 [0,1,0,1,0,0|0,0,0]=2 797 B8R1.3 C[C@H]1CN[C@H](C)CN1 YH51692 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.3 NC1CCC(N)CC1 YH53689 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.3 N[C@H]1CC[C@@H](O)CC1 YH00053 [0,1,0,1,0,0|0,0,0]=2 800 B8R1.3 N[C@H]1CC[C@H](N)CC1 YH50326 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.3 N[C@H]1CC[C@H](O)CC1 LT5722 [0,1,0,1,0,0|0,0,0]=2 802 B8R1.3 N[C@H]1CC[C@H](O)CC1 YH04278 [0,1,0,1,0,0|0,0,0]=2 803 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,1,0,1,0,0|0,0,1]=3 804 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,1,0,1,0,0|1,0,1]=4 805 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,1,0,1,0,0|1,0,1]=4 807 B8R1.3 OC1COC(O)CO1 YH48124 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.5 C=C1CCCCC1Cl RT11015 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.5 CC1CCCCC1=O XJ1009 [0,1,0,1,0,0|0,0,2]=4 810 B8R1.5 CC1CCCCC1C XJ1006 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.5 CC1CCCCC1O XJ1008 [0,1,0,1,0,0|0,0,0]=2 812 B8R1.5 CC1CNCCC1=O YH08115 [0,1,0,1,0,0|0,0,2]=4 813 B8R1.5 C[C@@H]1CCCC[C@H]1N YH96335 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.5 NC1CCCCC1N LQ1351 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.5 NC1CCCCC1O JZ2993 [0,1,0,1,0,0|0,0,0]=2 816 B8R1.5 NC1CCCC[C@H]1N RT4156 [0,1,0,1,0,0|1,0,0]=3 817 B8R1.5 NC1COCCC1O YH55045 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.5 N[C@@H]1CCCC[C@H]1N HL4195 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.5 N[C@@H]1CCCC[C@H]1N RT4814 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.5 N[C@@H]1CCCC[C@H]1N XJ1617 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.5 N[C@@H]1CCCC[C@H]1O LQ2896 [0,1,0,1,0,0|0,0,0]=2 822 B8R1.5 N[C@@H]1COCC[C@H]1O RT15009 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.5 N[C@H]1CCCC[C@@H]1N YH46273 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.5 N[C@H]1CCCC[C@H]1N XJ1753 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.5 N[C@H]1COCC[C@@H]1O RT15007 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.5 O=C1CCCCC1Br LX2735 [0,1,0,1,0,0|0,0,2]=4 827 B8R1.5 O=C1CCCCC1Cl LQ1480 [0,1,0,1,0,0|0,0,2]=4 828 B8R1.5 O=C1CCCCC1F LQ1350 [0,1,0,1,0,0|0,0,2]=4 829 B8R1.5 O=C1CCOCC1O CJ3043 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.5 OC1CCCCC1O LQ1555 [0,1,0,1,0,0|0,0,0]=2 831 B8R1.5 O[C@@H]1CCCC[C@@H]1Cl LT2047 [0,1,0,1,0,0|0,0,0]=2 832 B8R1.5 O[C@@H]1CCCC[C@H]1F XJ1265 [0,1,0,1,0,0|0,0,0]=2 833 B8R1.5 O[C@H]1CCCC[C@H]1O XJ1939 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.5 [NH-][C@@H]1CCCC[C@H]1[NH-] RT4589 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.22 CC1CCCCCN1 RT15388 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.22 CC1CCCNCC1 RT15402 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.22 CN1CCCNCC1 LQ2672 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.22 NC1CCCCCC1 LQ2890 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.22 NC1CCCCNC1 YH66537 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.22 NN1CCCCCC1 LT0330 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.22 O=C1CCCCCC1 LT4672 [0,1,0,1,0,0|0,0,2]=4 842 B8R1.22 O=C1CCCNCC1 XJ5502 [0,1,0,1,0,0|0,0,2]=4 843 B8R1.22 OC1CCCCCC1 XJ0857 [0,1,0,1,0,0|0,0,0]=2 844 B8R1.50 CC1CCC(C)C1N RT4729 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.50 CC1CCC(O)C1O XJ4948 [0,1,0,1,0,0|0,0,0]=2 846 B8R1.50 CN1C(=O)CCC1O RT14805 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.52 CCC1(C)OCCO1 HL1523 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.7 CC(=O)C1CCCC1 RT17591 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.7 CN(C)C1OCCO1 XJ4514 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.7 C[C@H](N)C1CCCC1 RT17675 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.7 O=C(O)C1CCCO1 LT5095 [0,1,0,1,0,0|1,0,1]=4 852 B8R1.7 O=C(O)[C@@H]1CCCO1 XJ6513 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.7 O=C(O)[C@H]1CCCO1 XJ6512 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.19 CC1(C)CCCC1N RT4727 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.37 CCOC(=O)C1CC1 HL2819 [0,1,0,1,0,0|0,0,2]=4 856 B8R1.8 BrCCC1OCCO1 LQ4089 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.8 BrCCN1CCCC1 LX2478 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.8 BrCCN1CCCC1 YH06128 [0,1,0,1,0,0|2,0,0]=4 859 B8R1.8 C#CCC1CCCC1 HL3291 [0,1,0,1,0,0|1,0,1]=4 860 B8R1.8 CCOC1CCCO1 XJ3908 [0,1,0,1,0,0|0,0,0]=2 861 B8R1.8 ClCCN1CCCC1 HL2871 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.8 ClCCN1CCCC1 LQ3213 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.8 N#CCC1CCCC1 LQ1738 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.8 NCCC1OCCO1 XJ2993 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.8 O=CCC1CCCC1 RT17688 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.8 O=CCC1CCCO1 RT17487 [0,1,0,1,0,0|0,0,1]=3 867 B8R1.8 O=CCC1CCOC1 RT15000 [0,1,0,1,0,0|1,0,1]=4 868 B8R1.8 OCCC1CCNC1 YH96359 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.8 OCCN1CCCC1 JZ2200 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.11 CCC1CCCC1=O XJ2821 [0,1,0,1,0,0|0,0,1]=3 871 B8R1.11 CCN1CCCC1=O YH50862 [0,1,0,1,0,0|0,0,2]=4 872 B8R1.11 C[C@H]1CNC[C@@H]1CO YH97380 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.11 OC[C@@H]1CC=C[C@@H]1O RT18647 [0,1,0,1,0,0|0,0,2]=4 874 B8R1.39 COC(=O)C1(O)CC1 RT17524 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.72 CC1(O)CCCCC1 HL0085 [0,1,0,1,0,0|0,0,0]=2 876 B8R1.72 CC1(O)CCCCC1 XJ4851 [0,1,0,1,0,0|0,0,0]=2 877 B8R1.72 FC1(F)CCNCC1 LT0419 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.72 FC1(F)CCNCC1 YH46901 [0,1,0,1,0,0|2,0,0]=4 879 B8R1.72 OC1(O)CCNCC1 RT17541 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.82 N#CCC1(CO)CC1 YH36456 [0,1,0,1,0,0|1,0,1]=4 881 B8R1.60 NCC1(CO)COC1 YH02184 [0,1,0,1,0,0|2,0,0]=4 882 B8R2.34 C1CC2CCC1C2 LL0614 [0,0,0,2,0,0|1,0,0]=3 883 B8R2.34 C1CC2CCC1O2 LL0615 [0,0,0,2,0,0|0,0,0]=2 884 B8R2.34 C1O[C@@H]2CN[C@H]1C2 YH53958 [0,0,0,2,0,0|1,0,0]=3 885 B8R2.55 C1CC2(CC2)CN1 RT15053 [0,0,0,2,0,0|2,0,0]=4 886 B8R2.25 C1CCC2OC2C1 LL0621 [0,0,0,2,0,0|0,0,0]=2 887 B8R2.25 C1CCC2SC2C1 YH66062 [0,0,0,2,0,0|0,1,0]=3 888 B8R2.42 C1CC2(COC2)N1 YH22676 [0,0,0,2,0,0|2,0,0]=4