0 B6R0.1 C#CC(=O)OCC JZ0327 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CC(C)CCC LQ5005 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C#CC(O)CCC XJ0311 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.1 C=CC(=O)OCC XJ0563 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 C=COC(=O)CC XJ0313 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCC(=O)CSC JZ4808 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCC(=O)\C=C\Cl RT1219 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCC(C)CCO HL0061 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCC(C)CCO LL2797 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCC(C)CCO LQ4221 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCCC(=O)CC HL0062 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.1 CCCC(=O)NN JZ2316 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CCCC(=O)OC XJ1144 [0,0,0,0,0,0|0,1,0]=1 14 B6R0.1 CCCC(=O)SC XJ2150 [0,0,0,0,0,0|0,0,0]=0 15 B6R0.1 CCCC(Br)CBr JZ2283 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCCC(C)C#N YH11272 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCCC(C)CC HL0060 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 CCC\C(N)=N\O XJ4957 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.1 CCOC(=O)C=O LQ1498 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 CCOC(=O)CBr JZ0369 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.1 CCOC(=O)CN JZ1544 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 CCOC(=O)NN LT5272 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 CCOC(=O)NN XJ4829 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.1 CCOC(=O)NO HL0063 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.1 CCO\C(C)=N\O JZ3459 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.1 CCSC(=O)CC LT5718 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CNC(=O)CC#N LT5789 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.1 CNCC(=O)OC JZ4592 [0,0,0,0,0,0|1,1,0]=2 31 B6R0.1 COC(=O)CCN LT4189 [0,0,0,0,0,0|1,1,0]=2 32 B6R0.1 COC(=O)CCS JZ2165 [0,0,0,0,0,0|1,1,0]=2 33 B6R0.1 COC(=O)NC#N LT5545 [0,0,0,0,0,0|2,1,1]=4 34 B6R0.1 COC(=O)OCCl RT1172 [0,0,0,0,0,0|2,1,0]=3 35 B6R0.1 CSC(C)CC=O LT2625 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 C\C=C\C(=O)OC LQ4078 [0,0,0,0,0,0|0,1,2]=3 37 B6R0.1 C\C=C\C(C)=C\C LQ4645 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.1 N#CCC(=O)NN XJ0562 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 O=C(CBr)NCO RT1446 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.1 O=C(CCl)NCO HL2402 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.1 C(Cl)CC(=O)O CJ2142 [1,0,0,0,0,0|1,1,0]=3 42 B5R0.1 C=C(C)OCC LT1730 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 C=CCC(N)=O RT17513 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 C=COC(C)=O LQ0375 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 C=COC(C)=O LQ4456 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.1 C=COC(C)=O XJ3468 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 CC(=O)CC#N HL2246 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CC(=O)CC=O XJ1186 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 CC(=O)CCS XJ5155 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 CC(=O)\C=N\O LT6064 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CC(Br)CCBr HL1367 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(C)=CCBr YH91045 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CC(C)=CCN YH33589 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(C)=CCO LT3091 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CC(C)CCCl HL1371 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CC(C)CCI XJ0935 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CCCC(=O)[O-] XJ2982 [1,0,0,0,0,0|0,1,0]=2 58 B5R0.1 CCCC(C)C HL1370 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CCCC(C)C HL4500 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CCCC(N)=O XJ0937 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.1 CCCC(N)=[NH2+] LX2780 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 CCC[C@H](C)O LQ4668 [1,0,0,0,0,0|0,0,2]=3 63 B5R0.1 CCC[N+](=O)[O-] JZ5682 [1,0,0,0,0,0|1,1,0]=3 64 B5R0.1 CCC[N+](=O)[O-] LQ0374 [1,0,0,0,0,0|1,1,0]=3 65 B5R0.1 CCNC(C)=O XJ1192 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.1 CCNC(N)=O XJ1194 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 CCNC(N)=O XJ3539 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 CCNC(N)=S XJ1195 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 CCOC(=O)Cl XJ0938 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 CCOC(=O)O XJ1147 [1,0,0,0,0,0|1,1,0]=3 71 B5R0.1 CCOC(=S)[S-] XJ0564 [1,0,0,0,0,0|1,1,1]=4 72 B5R0.1 CCOC(N)=O RT0197 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CCO[Si](=O)O JZ3510 [1,0,0,0,0,0|1,2,0]=4 74 B5R0.1 CCSC(=N)N RT19776 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 CCSC(C)=O HL4138 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.1 CCSC(C)=O XJ1197 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.1 CC[NH2+]C(=N)N LQ2498 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CN(C)CCCl HL2802 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 CN(C)CCN HL1382 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 CN(C)CCO HL1383 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 CN(C)CCS LT4952 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CNCC(=O)O JZ4055 [1,0,0,0,0,0|1,1,0]=3 83 B5R0.1 CNCC(=O)O RT0428 [1,0,0,0,0,0|1,1,0]=3 84 B5R0.1 CNCC(=O)[O-] JZ1762 [1,0,0,0,0,0|1,1,0]=3 85 B5R0.1 COCC(C)=O LT7464 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.1 COCC(C)N XJ5266 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 COC[C@H](C)N XJ6713 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 CSCC(=N)N YH65419 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 CSCC(=O)O XJ2185 [1,0,0,0,0,0|1,1,0]=3 90 B5R0.1 C[C@@H](N)CCO RT0497 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 C[C@@H](O)CCO SY0267 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 C\C(Cl)=C\CCl LQ1508 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 C\C(Cl)=C\CO RT17544 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 C\C(I)=C/CO RT17534 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 C\C=C\C(=O)Cl XJ1187 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.1 C\C=C\C(=O)O HL1378 [1,0,0,0,0,0|0,1,2]=4 97 B5R0.1 C\C=C\C(N)=O RT17596 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.1 NC(=O)CCO RT17509 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 NC(=O)NCO HL0559 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.1 NCCC(=O)O JZ0318 [1,0,0,0,0,0|1,1,0]=3 101 B5R0.1 NOCC(=O)O RT0527 [1,0,0,0,0,0|2,1,0]=4 102 B5R0.1 O=C(Cl)CCCl JZ0826 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.1 O=C(Cl)OCCl JZ5514 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 O=C(O)CCBr HL0088 [1,0,0,0,0,0|1,1,0]=3 105 B5R0.1 O=C(O)CCS SY0092 [1,0,0,0,0,0|1,1,0]=3 106 B5R0.1 O=C([O-])CCO RT1268 [1,0,0,0,0,0|1,1,0]=3 107 B5R0.2 C#CCCCC LQ1326 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.2 C=CC\C=C\C HL0119 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.2 CCCCC#N LL0427 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 CCCCCI HL0274 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 CCCCNC LL0434 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.2 CCCCSC HL0277 [1,0,0,0,0,0|0,0,1]=2 113 B5R0.2 CCCC[SnH]=O LQ5214 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.2 CCCN=C=O LL0443 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.2 CCCN=C=S HL0278 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.2 CCCOC=O LL0440 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.2 CCCOCCl JZ2364 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.2 CCCSC#N LQ2617 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.2 CCCSCC LT5403 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 CCNCCO LL0439 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.2 CCNNCC LQ3339 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.2 CCOCCBr HL0120 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.2 CCOCCCl HL0279 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.2 CCOCCO LL0444 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.2 CCO\C=C\Cl RT17648 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.2 CC\C=C\CC JZ3712 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.2 CNCCNC LL0436 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 CNCCOC LQ4938 [1,0,0,0,0,0|1,1,1]=4 129 B5R0.2 COCCCCl LQ4914 [1,0,0,0,0,0|1,1,1]=4 130 B5R0.2 COCCCN LT2986 [1,0,0,0,0,0|1,1,1]=4 131 B5R0.2 CSCCC=O LT3092 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.2 CSCCCN XJ2622 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 CSCCCO XJ0883 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.2 CSC\C=N\O LQ3457 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 C\C=C\CCC XJ2577 [1,0,0,0,0,0|1,0,0]=2 136 B5R0.3 C#CC(=O)OC LT7442 [1,0,0,0,0,0|0,1,2]=4 137 B5R0.3 C=C(CC)CC XJ1324 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.3 C=CC(=O)OC SY0292 [1,0,0,0,0,0|0,1,2]=4 139 B5R0.3 CCC(=O)NC JZ4434 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.3 CCC(Br)CC XJ1961 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.3 CCC(C)CC LL0223 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.3 CCC(C)NC LQ3344 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.3 CCC(N)CC LQ1186 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.3 CCN(C)CC LQ1190 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.3 CCN(O)CC HL2577 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.3 CC\C(C)=N\O LL0233 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.3 COC(=O)C=O LQ1491 [1,0,0,0,0,0|1,1,1]=4 148 B5R0.3 COC(=O)CN RT5049 [1,0,0,0,0,0|1,1,0]=3 149 B5R0.3 COC(=O)OC LQ1189 [1,0,0,0,0,0|1,1,0]=3 150 B5R0.3 CS\C(C)=N/O RT1099 [1,0,0,0,0,0|3,0,0]=4 151 B5R0.3 O=C(CBr)CBr LQ1454 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.3 O=C(CF)CF CJ2432 [1,0,0,0,0,0|3,0,0]=4 153 B5R0.3 O=C(CI)CI RT0766 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.3 O=C(CO)CO LL1029 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.2 C=CC(=O)NC(C)C JZ1950 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.2 CC(C)NC(=O)CCl LQ2337 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.2 CC(C)NC(=O)CN LL1178 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.2 CC(C)OC(=O)CCl XJ0319 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.2 CCC(=O)CC(N)=O YH16677 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.2 CCC(=O)OC(C)C JZ4049 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.2 CCC(C)CC(C)C XJ0315 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.2 CNC(=O)CC(C)=O LQ4229 [0,1,0,0,0,0|1,0,1]=3 163 B7R0.2 CNC(=O)C[N+](=O)[O-] RT0518 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.2 COC(=O)C=C(C)C LQ1499 [0,1,0,0,0,0|0,1,2]=4 165 B7R0.2 COC(=O)CC(=O)Cl YH57814 [0,1,0,0,0,0|1,1,1]=4 166 B7R0.2 COC(=O)CC(C)=O XJ0317 [0,1,0,0,0,0|0,1,1]=3 167 B7R0.2 COC(=O)C[C@@H](C)O JZ2426 [0,1,0,0,0,0|0,1,0]=2 168 B7R0.2 COC(=O)C[C@H](C)O LQ5263 [0,1,0,0,0,0|0,1,0]=2 169 B7R0.2 COC(=O)\C=C(/C)N LT2444 [0,1,0,0,0,0|0,1,2]=4 170 B7R0.2 COC(=O)\C=C(\C)N LQ4292 [0,1,0,0,0,0|0,1,2]=4 171 B7R0.3 C#CCOC(=O)CC LQ2026 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.3 C=CC(=O)OCCO LQ1461 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.3 CCCCC(=O)CC XJ0362 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.3 CCCCC(=O)NC HL3084 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.3 CCCCC(=O)NN LQ4942 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.3 CCCCC(C)CC HL0067 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.3 CCCC\C(N)=N\O YH13028 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.3 CCCOC(=O)CCl HL2914 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.3 CCCOC(=O)CN LQ3564 [0,1,0,0,0,0|2,0,0]=3 180 B7R0.3 CCOCC(=O)OC RT17745 [0,1,0,0,0,0|0,1,0]=2 181 B7R0.3 CC\C(C)=C\CCBr JZ5314 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.3 COC(=O)CCC=O YH33690 [0,1,0,0,0,0|0,1,1]=3 183 B7R0.3 COC(=O)CCCCl LT5164 [0,1,0,0,0,0|0,1,0]=2 184 B7R0.3 COC(=O)CCCO RT0271 [0,1,0,0,0,0|0,1,0]=2 185 B7R0.3 COC(=O)CCSC LQ3661 [0,1,0,0,0,0|0,1,0]=2 186 B7R0.3 COC(=O)\C=C\CBr XJ1572 [0,1,0,0,0,0|0,1,2]=4 187 B7R0.3 COCCC(=O)OC LQ2522 [0,1,0,0,0,0|0,1,0]=2 188 B7R0.3 CO\C=C\C(=O)OC HL3008 [0,1,0,0,0,0|0,1,2]=4 189 B7R0.5 C=C(C)C(=O)NCO LQ1492 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.5 C=C(C)C(=O)OCC LL0282 [0,1,0,0,0,0|2,0,0]=3 191 B7R0.5 C=C(F)C(=O)OCC YH17578 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.5 CCCC(=O)C(C)=O LQ2544 [0,1,0,0,0,0|1,0,0]=2 193 B7R0.5 CCCC(=O)N(C)C XJ1325 [0,1,0,0,0,0|1,0,0]=2 194 B7R0.5 CCCC(O)C(C)C LQ1202 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.5 CCOC(=O)C(Br)Br LQ1203 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.5 CCOC(=O)C(C)=O RT1264 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.5 CCOC(=O)C(C)Br LL0957 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.5 CCOC(=O)C(C)F LQ5515 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.5 CCOC(=O)C(C)O HL0374 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.5 CCOC(=O)C(N)=S XJ4294 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.5 CCOC(=O)[C@@H](C)N JZ1462 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.5 CCOC(=O)[C@H](C)O RT17626 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.5 CN(C)C(=O)CC#N JZ3110 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.5 C[Se]CC(=O)C(=O)O RT1095 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.7 C=C(OCC)OCC YH65772 [0,1,0,0,0,0|2,1,0]=4 206 B7R0.7 CCCC(=O)OCCl LQ4784 [0,1,0,0,0,0|0,1,0]=2 207 B7R0.7 CCCC(Br)CCC HL0633 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.7 CCCN(C)CCC HL2547 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.7 CCCS(=O)CCC LQ2622 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.7 CCNC(=O)NCC XJ1156 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.7 CCOC(=O)CC#N LT6197 [0,1,0,0,0,0|1,1,1]=4 212 B7R0.7 CCOC(=O)CC=O YH56003 [0,1,0,0,0,0|1,1,1]=4 213 B7R0.7 CCOC(=O)CCCl XJ1154 [0,1,0,0,0,0|1,1,0]=3 214 B7R0.7 CCOC(=O)CCN LT4188 [0,1,0,0,0,0|1,1,0]=3 215 B7R0.7 CCOC(=O)CCS LQ2910 [0,1,0,0,0,0|1,1,0]=3 216 B7R0.7 CCOC(=O)CNN JZ3067 [0,1,0,0,0,0|2,1,0]=4 217 B7R0.7 CCOC(=O)OCCl RT1170 [0,1,0,0,0,0|1,1,0]=3 218 B7R0.7 CCOC(=O)\C=C/Br YH66073 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.7 CCOC(=S)SCC XJ1157 [0,1,0,0,0,0|1,1,0]=3 220 B7R0.7 CCOC(=S)SCC XJ1158 [0,1,0,0,0,0|1,1,0]=3 221 B7R0.7 CCOC(=S)SCC XJ1396 [0,1,0,0,0,0|1,1,0]=3 222 B7R0.7 CCOS(=O)OCC XJ1159 [0,1,0,0,0,0|2,1,0]=4 223 B7R0.7 C\C=C\C(O)CCC JZ2612 [0,1,0,0,0,0|1,0,2]=4 224 B7R0.7 O=C(CCBr)CCBr YH33973 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.7 O=C(CCCl)CCCl JZ2373 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.7 [C-]#[N+]CC(=O)OCC XJ2343 [0,1,0,0,0,0|1,1,1]=4 227 B7R0.10 CCC(=O)C(=O)OC RT0515 [0,1,0,0,0,0|0,1,1]=3 228 B7R0.10 CCC(C)C(=O)OC XJ1392 [0,1,0,0,0,0|0,1,0]=2 229 B7R0.10 CCC(N)C(=O)OC RT5378 [0,1,0,0,0,0|0,1,0]=2 230 B7R0.10 CCC(N)C(=O)OC RT5379 [0,1,0,0,0,0|0,1,0]=2 231 B7R0.10 CC[C@@H](N)C(=O)OC YH90152 [0,1,0,0,0,0|0,1,0]=2 232 B7R0.10 COC(=O)C(=O)CBr JZ3137 [0,1,0,0,0,0|1,1,1]=4 233 B7R0.10 COC(=O)C(=O)OC LT5549 [0,1,0,0,0,0|1,1,1]=4 234 B7R0.10 COC(=O)C(=O)OC XJ3029 [0,1,0,0,0,0|1,1,1]=4 235 B7R0.10 COC(=O)C(Br)CBr JZ4729 [0,1,0,0,0,0|1,1,0]=3 236 B7R0.10 COC(=O)C(C)OC LQ4052 [0,1,0,0,0,0|1,1,0]=3 237 B7R0.10 COC(=O)C(Cl)CO LL1708 [0,1,0,0,0,0|1,1,0]=3 238 B7R0.10 COC(=O)C(N)CCl RT5025 [0,1,0,0,0,0|1,1,0]=3 239 B7R0.10 COC(=O)[C@@H](C)CO LT7462 [0,1,0,0,0,0|1,1,0]=3 240 B7R0.10 COC(=O)[C@@H](N)CS JZ0418 [0,1,0,0,0,0|1,1,0]=3 241 B7R0.10 COC(=O)[C@H](N)CO RT5050 [0,1,0,0,0,0|1,1,0]=3 242 B7R0.10 NC(CCl)C(=O)NO RT4876 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.10 NNC(=O)C(N)CO LX3272 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.11 CCCC(C)(Cl)CC LQ5130 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.11 CCCC(C)(O)CC LQ1129 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.11 CCS(=O)(=O)CCO HL1909 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.11 CCSS(=O)(=O)CC HL0355 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.12 CCCN(CC)N=O RT17895 [0,1,0,0,0,0|2,0,0]=3 249 B7R1.1 CCC1=NCCC1 RT14089 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.1 CCC1=NCCO1 XJ4890 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.1 CCN1CCCC1 LQ3265 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.1 COC1CCCC1 JZ2800 [0,0,0,1,0,0|1,1,1]=4 253 B7R1.1 N#CC1=CCCC1 HL2430 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.2 CC1=CC(=O)CC1 HL2331 [0,0,0,1,0,0|1,0,2]=4 255 B7R1.2 CC1=NNC(=O)C1 LQ0389 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.2 CC1CCC(=O)C1 XJ1883 [0,0,0,1,0,0|1,0,0]=2 257 B7R1.2 CC1CNC(=S)N1 RT14624 [0,0,0,1,0,0|2,1,0]=4 258 B7R1.2 CC1CSC(=O)S1 RT14660 [0,0,0,1,0,0|1,0,0]=2 259 B7R1.2 CN1CCC(=O)C1 XJ6122 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.2 C[C@H]1COC(=O)N1 YH59595 [0,0,0,1,0,0|1,1,0]=3 261 B7R1.2 O=C1CC(O)CN1 RT4517 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.2 O=C1COC(=O)C1 XJ2822 [0,0,0,1,0,0|1,1,1]=4 263 B7R1.2 O=C1C[C@@H](O)CN1 RT3914 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.2 O=C1C[C@H](O)CN1 M0400303 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.2 O=C1OCC(Cl)O1 LT4482 [0,0,0,1,0,0|2,1,0]=4 266 B7R1.2 O=C1OCC(Cl)O1 LT7595 [0,0,0,1,0,0|2,1,0]=4 267 B7R1.3 CC1=CCCCC1 HL0101 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.3 CC1CCCCC1 LQ0421 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.3 CC1CCCCN1 LQ0427 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.3 C[C@@H]1CCCCN1 YH66554 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.3 C[C@H]1CCCCN1 JZ2253 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.3 IC1CCCCC1 HL0234 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.3 N=C1CCCCN1 LT0382 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.3 NC1=NCCCN1 RT4093 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.3 NC1=NCCCN1 YH00406 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.3 NC1CCCCC1 JZ0026 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.3 NC1CCCCC1 LT4681 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.3 NC1CCCCC1 RT1317 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.3 NN1CCCCC1 RT4329 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.3 NN1CCCCC1 XJ2051 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.3 O=C1C=CCCN1 RT4551 [0,0,0,1,0,0|1,0,2]=4 282 B7R1.3 O=C1CCCCC1 LQ0425 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.3 O=C1CCCNC1 YH04125 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.3 O=C1CCCNC1 YH10216 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.3 O=C1CCNCC1 YH00798 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.3 O=C1CCOCC1 XJ5024 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.3 O=C1CNCCN1 XJ2918 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.3 O=C1COCCN1 LQ0428 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.3 O=C1COCCO1 HL2425 [0,0,0,1,0,0|1,1,0]=3 290 B7R1.3 O=C1NCCCO1 YH05298 [0,0,0,1,0,0|1,1,0]=3 291 B7R1.3 O=C1OCCCO1 XJ2200 [0,0,0,1,0,0|1,1,0]=3 292 B7R1.3 OC1CCCCN1 LQ5146 [0,0,0,1,0,0|1,0,2]=4 293 B7R1.3 ON1CCCCC1 LT0352 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.4 BrC1=C(Br)CCC1 XJ6354 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.4 C=C1CCOC1=O HL1987 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.4 CC1=C(S)CCO1 LT1786 [0,0,0,1,0,0|2,1,0]=4 297 B7R1.4 CC1=CCCC1=O XJ1611 [0,0,0,1,0,0|1,0,1]=3 298 B7R1.4 CC1CCCC1N RT0500 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.4 CC1CCCC1O XJ4791 [0,0,0,1,0,0|1,0,2]=4 300 B7R1.4 CC1CCNC1=O YH49833 [0,0,0,1,0,0|2,0,0]=3 301 B7R1.4 CC1CCOC1=O LQ1890 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.4 CC1OCCC1=O LT1811 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.4 CC1SCCC1=O LT1812 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.4 CN1CCCC1=O RT4374 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.4 CN1CCCC1=O XJ2240 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.4 CN1CCCC1=S LQ3417 [0,0,0,1,0,0|1,1,0]=3 307 B7R1.4 CN1CCNC1=O RT13275 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.4 CN1CCOC1=O LT3023 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.4 NC1CCNC1=O YH49305 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.4 NC1CCOC1=O LT3746 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.4 NC1CCOC1=O LT3981 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.4 NC1CCSC1=O LT5282 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.4 NN1CCOC1=O RT14817 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.4 N[C@@H]1CCOC1=O LL1835 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.4 O=C1OCCC1Br LT3313 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.4 O=C1OCCC1O LT6912 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.22 N\C(=N/O)C1CC1 LQ4326 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.22 O=C(CBr)C1CC1 YH14275 [0,0,0,1,0,0|2,0,0]=3 319 B4R0.1 C=C(Br)CC LQ4356 [2,0,0,0,0,0|1,0,1]=4 320 B4R0.1 C=C(C)CC LQ1059 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.1 C=C(C)OC HL1466 [2,0,0,0,0,0|1,1,0]=4 322 B4R0.1 CC(=O)CBr LQ1137 [2,0,0,0,0,0|1,0,0]=3 323 B4R0.1 CC(=O)CN LX3064 [2,0,0,0,0,0|1,0,0]=3 324 B4R0.1 CC(=O)NBr XJ0071 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 CC(=O)NN LQ1629 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.1 CCC(=O)Cl YH19012 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 CCC(=O)[O-] HL1636 [2,0,0,0,0,0|0,1,0]=3 328 B4R0.1 CCC(=O)[O-] LQ1030 [2,0,0,0,0,0|0,1,0]=3 329 B4R0.1 CCC(C)I LT2185 [2,0,0,0,0,0|1,0,1]=4 330 B4R0.1 CC[C@@H](C)N JZ3698 [2,0,0,0,0,0|1,0,1]=4 331 B4R0.1 COC(=O)Cl XJ0076 [2,0,0,0,0,0|1,1,0]=4 332 B4R0.1 COC(C)=N YH35544 [2,0,0,0,0,0|1,1,0]=4 333 B4R0.1 COC(N)=O LQ1144 [2,0,0,0,0,0|1,1,0]=4 334 B4R0.1 CSC(=N)N HL3579 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.1 CSC(C)C LT4098 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.1 CS[S+](C)C HL3015 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.1 C\C=C(\C)Br JZ3724 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.1 NC(=O)CCl RT4709 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.1 NCC(=O)O JZ0518 [2,0,0,0,0,0|1,1,0]=4 340 B4R0.1 NCC(=O)O LQ3009 [2,0,0,0,0,0|1,1,0]=4 341 B4R0.1 NCC(=O)[O-] JZ1232 [2,0,0,0,0,0|1,1,0]=4 342 B4R0.1 NCC(=O)[O-] JZ1274 [2,0,0,0,0,0|1,1,0]=4 343 B4R0.1 NCC(=O)[O-] JZ1346 [2,0,0,0,0,0|1,1,0]=4 344 B4R0.1 NCC(=O)[O-] JZ1545 [2,0,0,0,0,0|1,1,0]=4 345 B4R0.1 NCC(=O)[O-] JZ1650 [2,0,0,0,0,0|1,1,0]=4 346 B4R0.1 NCC(N)=O HL0991 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.1 NCC(N)=O LQ1139 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 O=C(O)CBr LL0143 [2,0,0,0,0,0|1,1,0]=4 349 B4R0.1 O=C(O)CF LT5771 [2,0,0,0,0,0|1,1,0]=4 350 B4R0.1 O=C([O-])CCl LQ2589 [2,0,0,0,0,0|1,1,0]=4 351 B4R0.1 O=C([O-])CO LQ2283 [2,0,0,0,0,0|1,1,0]=4 352 B4R0.1 O=C([O-])CO XJ5448 [2,0,0,0,0,0|1,1,0]=4 353 B4R0.1 O=C([O-])CS HL2967 [2,0,0,0,0,0|1,1,0]=4 354 B4R0.1 O=C([O-])CS LQ1436 [2,0,0,0,0,0|1,1,0]=4 355 B4R0.1 O=C([O-])CS XJ0675 [2,0,0,0,0,0|1,1,0]=4 356 B4R0.1 O=C([O-])CS XJ6033 [2,0,0,0,0,0|1,1,0]=4 357 B4R0.1 [2H]OC(C)=O XJ1316 [2,0,0,0,0,0|1,1,0]=4 358 B4R0.2 C#CCCC HL0250 [2,0,0,0,0,0|0,0,2]=4 359 B4R0.2 C=CCCBr LQ2822 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.2 C=CCCN LQ2198 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.2 C=CCOC HL0257 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.2 CCCCN LQ2553 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.2 CCCCS LL0387 [2,0,0,0,0,0|0,0,1]=3 364 B4R0.2 CCCC[O-] HL2476 [2,0,0,0,0,0|0,0,2]=4 365 B4R0.2 CCCC[O-] LQ4485 [2,0,0,0,0,0|0,0,2]=4 366 B4R0.2 CCC[Mg]Br LQ1517 [2,0,0,0,0,0|2,0,0]=4 367 B4R0.2 CCC[Mg]Cl XJ2093 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.2 CCC[Zn-]Br HL3580 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.2 CCOC=N LQ3955 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.2 CCOC=O LL0396 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.2 CCOCC LL1197 [2,0,0,0,0,0|1,0,1]=4 372 B4R0.2 CCOCC XJ5008 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 CCSSC LQ4240 [2,0,0,0,0,0|1,0,0]=3 374 B4R0.2 CC[AlH3+]CC LL0219 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.2 CC[N-]CC RT4825 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.2 CC[NH2+]CC XJ6105 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.2 CC[Se]CC RT0534 [2,0,0,0,0,0|1,0,1]=4 378 B4R0.2 CNCCCl RT4724 [2,0,0,0,0,0|2,0,0]=4 379 B4R0.2 CNCCCl YH54353 [2,0,0,0,0,0|2,0,0]=4 380 B4R0.2 CNCCN LL0389 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.2 COCCN LL0392 [2,0,0,0,0,0|1,1,0]=4 382 B4R0.2 COCCO XJ3502 [2,0,0,0,0,0|1,1,0]=4 383 B4R0.2 CSCC=O JZ5555 [2,0,0,0,0,0|1,0,0]=3 384 B4R0.2 CSCCO JZ2661 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.2 CSSSC LT5322 [2,0,0,0,0,0|2,0,0]=4 386 B4R0.2 C\C=C/CO YH00287 [2,0,0,0,0,0|1,0,1]=4 387 B4R0.2 C\C=C\C=O XJ0511 [2,0,0,0,0,0|0,0,2]=4 388 B4R0.2 C\C=C\CC XJ1213 [2,0,0,0,0,0|0,0,1]=3 389 B4R0.2 C\C=C\CCl HL0110 [2,0,0,0,0,0|1,0,1]=4 390 B4R0.2 C\C=C\CN YH07653 [2,0,0,0,0,0|1,0,1]=4 391 B4R0.2 SCCCS LL0388 [2,0,0,0,0,0|1,0,1]=4 392 B6R0.2 CC(=O)CC(=O)[O-] LQ2436 [1,1,0,0,0,0|0,1,1]=4 393 B6R0.2 CC(=O)CC(C)=O LQ3994 [1,1,0,0,0,0|0,0,1]=3 394 B6R0.2 CC(=O)CC(C)=O XJ0505 [1,1,0,0,0,0|0,0,1]=3 395 B6R0.2 CC(=O)CC(C)C LQ0378 [1,1,0,0,0,0|0,0,0]=2 396 B6R0.2 CC(=O)NC(C)=O XJ1199 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.2 CC(=O)OC(C)Br LQ5001 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.2 CC(=O)OC(C)C LQ0385 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.2 CC(=O)\C=C(/C)N XJ1576 [1,1,0,0,0,0|0,0,2]=4 400 B6R0.2 CC(=O)\C=C(/C)[O-] LL2811 [1,1,0,0,0,0|0,0,2]=4 401 B6R0.2 CC(=O)\C=C(\C)[O-] JZ5312 [1,1,0,0,0,0|0,0,2]=4 402 B6R0.2 CC(=O)\C=C(\C)[O-] LL1065 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.2 CC(=O)\C=C(\C)[O-] LQ3492 [1,1,0,0,0,0|0,0,2]=4 404 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4055 [1,1,0,0,0,0|0,0,2]=4 405 B6R0.2 CC(=O)\C=C(\C)[O-] XJ4174 [1,1,0,0,0,0|0,0,2]=4 406 B6R0.2 CC(Br)CC(=O)O JZ2085 [1,1,0,0,0,0|0,1,0]=3 407 B6R0.2 CC(C)CC(=O)O XJ0871 [1,1,0,0,0,0|0,1,0]=3 408 B6R0.2 CC(C)CC(C)C LQ0376 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.2 CC(C)CC(C)N XJ6268 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.2 CC(C)CC(N)=O XJ0939 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.2 CC(C)C[C@H](C)O JZ4964 [1,1,0,0,0,0|0,0,2]=4 412 B6R0.2 CC(C)OC(=O)Cl LQ0387 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.2 CC(Cl)CN(C)C HL0587 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.2 CC(Cl)CN(C)C HL2803 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.2 CC(N)CC(=O)O JZ1398 [1,1,0,0,0,0|0,1,0]=3 416 B6R0.2 CC(O)CC(=O)O LL0657 [1,1,0,0,0,0|0,1,0]=3 417 B6R0.2 CC(O)CC(=O)[O-] LQ0611 [1,1,0,0,0,0|0,1,0]=3 418 B6R0.2 CC(O)CC(=O)[O-] YH53256 [1,1,0,0,0,0|0,1,0]=3 419 B6R0.2 CC(O)CC(C)O XJ1198 [1,1,0,0,0,0|0,0,2]=4 420 B6R0.2 CN(C)CC(=O)Cl CJ3040 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.2 C[C@@H](N)CC(=O)O HL2631 [1,1,0,0,0,0|0,1,0]=3 422 B6R0.2 C[C@H](N)CC(=O)O HL2630 [1,1,0,0,0,0|0,1,0]=3 423 B6R0.2 C[C@H](N)CC(=O)O LQ5428 [1,1,0,0,0,0|0,1,0]=3 424 B6R0.2 C[C@H](N)CC(=O)O YH57972 [1,1,0,0,0,0|0,1,0]=3 425 B6R0.2 C[C@H](N)CC(=O)O YH66623 [1,1,0,0,0,0|0,1,0]=3 426 B6R0.2 C[C@H](O)CN(C)C YH05901 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.2 C[S+](C)CC(=O)[O-] LQ2769 [1,1,0,0,0,0|1,1,0]=4 428 B6R0.3 CC(=O)C(=O)CBr YH65550 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.3 CC(=O)C(C)CO HL2533 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.3 CC(CBr)C(=O)O RT17689 [1,1,0,0,0,0|1,1,0]=4 431 B6R0.3 CC(CN)C(=O)O JZ1399 [1,1,0,0,0,0|1,1,0]=4 432 B6R0.3 CC(CN)C(=O)O RT5016 [1,1,0,0,0,0|1,1,0]=4 433 B6R0.3 CC(CN)C(=O)O YH46231 [1,1,0,0,0,0|1,1,0]=4 434 B6R0.3 CC(CO)C(=O)O RT16856 [1,1,0,0,0,0|1,1,0]=4 435 B6R0.3 CCC(C)C(=O)Cl LT2056 [1,1,0,0,0,0|1,0,0]=3 436 B6R0.3 CCC(C)C(=O)[O-] LL2514 [1,1,0,0,0,0|0,1,0]=3 437 B6R0.3 CCC(C)C(C)C LL0990 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.3 CCC(Cl)C(=O)O HL2688 [1,1,0,0,0,0|0,1,0]=3 439 B6R0.3 CCC(Cl)C(N)=O XJ3322 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.3 CCC(N)C(=O)O JZ1396 [1,1,0,0,0,0|0,1,0]=3 441 B6R0.3 CCC(N)C(=O)O JZ1397 [1,1,0,0,0,0|0,1,0]=3 442 B6R0.3 CCC(O)C(=O)[O-] JZ5280 [1,1,0,0,0,0|0,1,0]=3 443 B6R0.3 CCC(O)C(C)C LL0993 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.3 CCC(S)C(C)=O LL1144 [1,1,0,0,0,0|0,0,0]=2 445 B6R0.3 CCN(C)C(=O)Cl RT17546 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.3 CC[C@@H](Br)C(=O)O RT0003 [1,1,0,0,0,0|0,1,0]=3 447 B6R0.3 CC[C@@H](C)C(=O)O RT0213 [1,1,0,0,0,0|0,1,0]=3 448 B6R0.3 CC[C@@H](N)C(=O)O JZ1364 [1,1,0,0,0,0|0,1,0]=3 449 B6R0.3 CC[C@H](N)C(N)=O LQ3256 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.3 CC[C@H](N)C(N)=O LX2937 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.3 COC(=O)C(C)=O LT7441 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.3 CON(C)C(C)=O LL1390 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.3 C\C=C(/C)C(C)=O LL0992 [1,1,0,0,0,0|0,0,2]=4 454 B6R0.3 NC(=O)C(Br)CBr XJ4149 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.3 NC(CCl)C(=O)O RT4761 [1,1,0,0,0,0|1,1,0]=4 456 B6R0.3 NC(CO)C(=O)O JZ1426 [1,1,0,0,0,0|1,1,0]=4 457 B6R0.3 NCC(N)C(=O)O HL1942 [1,1,0,0,0,0|1,1,0]=4 458 B6R0.3 NC[C@H](O)C(=O)O LX3228 [1,1,0,0,0,0|1,1,0]=4 459 B6R0.3 N[C@@H](CO)C(=O)O JZ0405 [1,1,0,0,0,0|1,1,0]=4 460 B6R0.3 N[C@@H](CS)C(=O)O JZ0515 [1,1,0,0,0,0|1,1,0]=4 461 B6R0.3 N[C@@H](CS)C(=O)O JZ0516 [1,1,0,0,0,0|1,1,0]=4 462 B6R0.3 N[C@@H](CS)C(=O)O JZ1611 [1,1,0,0,0,0|1,1,0]=4 463 B6R0.3 N[C@H](CO)C(=O)O JZ1445 [1,1,0,0,0,0|1,1,0]=4 464 B6R0.3 N[C@H](CS)C(=O)O JZ1381 [1,1,0,0,0,0|1,1,0]=4 465 B6R0.3 N[C@H](CS)C(=O)O JZ1382 [1,1,0,0,0,0|1,1,0]=4 466 B6R0.3 N[C@H](CS)C(=O)O JZ1384 [1,1,0,0,0,0|1,1,0]=4 467 B6R0.3 O=C(Cl)C(Br)CBr LQ4095 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.3 O=C(O)C(O)CCl RT1118 [1,1,0,0,0,0|1,1,0]=4 469 B6R0.3 O=C(O)C(O)CS RT17775 [1,1,0,0,0,0|1,1,0]=4 470 B6R0.3 O=C([O-])C(O)CO LL1137 [1,1,0,0,0,0|1,1,0]=4 471 B6R0.3 O=C([O-])C(O)CO LT7565 [1,1,0,0,0,0|1,1,0]=4 472 B6R0.3 [C@H](N)(CC)C(=O)O LX2077 [1,1,0,0,0,0|0,1,0]=3 473 B6R0.4 C#CCOC(C)=O HL0247 [1,1,0,0,0,0|0,0,2]=4 474 B6R0.4 C=C(C)C#CCC LQ4354 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.4 C=CCCC(=O)O YH08846 [1,1,0,0,0,0|0,1,1]=4 476 B6R0.4 C=CCCC(C)=O LQ0437 [1,1,0,0,0,0|0,0,1]=3 477 B6R0.4 C=CCOC(C)=O HL0108 [1,1,0,0,0,0|0,0,2]=4 478 B6R0.4 CC#CCC(=O)O RT17532 [1,1,0,0,0,0|0,1,1]=4 479 B6R0.4 CC(=O)NCCCl JZ3076 [1,1,0,0,0,0|1,0,0]=3 480 B6R0.4 CC(=O)NCCN HL0561 [1,1,0,0,0,0|1,0,0]=3 481 B6R0.4 CC(=O)OCCBr LQ1516 [1,1,0,0,0,0|1,0,0]=3 482 B6R0.4 CC(Br)CCCBr HL0239 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.4 CC(C)=CCCBr HL2172 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.4 CC(C)CCCBr HL0240 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.4 CC(N)CCCO RT0123 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.4 CCC#CC(=O)O RT17589 [1,1,0,0,0,0|0,1,1]=4 487 B6R0.4 CCCCC(=O)[O-] RT0478 [1,1,0,0,0,0|0,1,0]=3 488 B6R0.4 CCCCC(C)Br HL2516 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.4 CCCCC(N)=O HL0242 [1,1,0,0,0,0|1,0,0]=3 490 B6R0.4 CCCC[Sn](=O)S LQ4511 [1,1,0,0,0,0|1,0,0]=3 491 B6R0.4 CCCNC(C)=O JZ2722 [1,1,0,0,0,0|0,0,0]=2 492 B6R0.4 CCCNC(N)=O HL0246 [1,1,0,0,0,0|1,0,0]=3 493 B6R0.4 CCCNC(N)=S LQ1515 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.4 CCCOC(N)=O RT1458 [1,1,0,0,0,0|1,0,0]=3 495 B6R0.4 CCCSC(C)C HL2844 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.4 CCOCC(=O)Cl JZ4848 [1,1,0,0,0,0|1,0,0]=3 497 B6R0.4 CN(C)CCCBr LQ5309 [1,1,0,0,0,0|2,0,0]=4 498 B6R0.4 CN(C)CCCBr YH08472 [1,1,0,0,0,0|2,0,0]=4 499 B6R0.4 CN(C)CCCCl HL0729 [1,1,0,0,0,0|2,0,0]=4 500 B6R0.4 CN(C)CCCCl HL2943 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.4 CN(C)CCCCl LQ0440 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.4 CN(C)CCCN RT1449 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.4 CN(C)CCCO LT2968 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.4 CNCCN(C)C XJ0598 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.4 COCCC(=O)O LQ2190 [1,1,0,0,0,0|0,1,0]=3 506 B6R0.4 COCCC(C)O LT2442 [1,1,0,0,0,0|0,0,2]=4 507 B6R0.4 CO\C=C\C(C)=O LQ2718 [1,1,0,0,0,0|0,0,2]=4 508 B6R0.4 CSCCC(=O)Cl XJ3231 [1,1,0,0,0,0|1,0,0]=3 509 B6R0.4 CSCCC(C)=O LT2666 [1,1,0,0,0,0|0,0,0]=2 510 B6R0.4 NCCCC(=O)O CJ3094 [1,1,0,0,0,0|0,1,0]=3 511 B6R0.4 NCCCC(N)=O RT0435 [1,1,0,0,0,0|1,0,0]=3 512 B6R0.4 O=C(Cl)CCCBr LQ1513 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.4 O=C(O)CCCBr JZ2086 [1,1,0,0,0,0|0,1,0]=3 514 B6R0.4 O=C(O)CCCS RT19786 [1,1,0,0,0,0|0,1,0]=3 515 B6R0.4 O=C([O-])CNCO JZ1760 [1,1,0,0,0,0|1,1,0]=4 516 B6R0.5 CCCC(C)(C)Cl LQ2678 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.5 CCCC(C)(C)O HL0081 [1,1,0,0,0,0|0,0,2]=4 518 B6R0.5 CCCS(=O)(=O)O JZ2673 [1,1,0,0,0,0|1,1,0]=4 519 B6R0.5 CCC[N+](C)(C)C RT0535 [1,1,0,0,0,0|2,0,0]=4 520 B6R0.5 CCOS(C)(=O)=O XJ0017 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.5 CCSS(C)(=O)=O RT17802 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.5 CS(=O)(=O)CCN YH22609 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.5 CS(=O)(=O)CCO XJ4187 [1,1,0,0,0,0|2,0,0]=4 524 B6R0.6 CCCC#CCO XJ1342 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.6 CCCCCCCl HL1956 [1,1,0,0,0,0|1,0,1]=4 526 B6R0.6 CCCCCCI JZ4066 [1,1,0,0,0,0|1,0,1]=4 527 B6R0.6 CCCCCCO XJ0385 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.6 CCCCCCS XJ0387 [1,1,0,0,0,0|1,0,1]=4 529 B6R0.6 CCCCCNC LT5645 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.6 CCCCOCC HL0289 [1,1,0,0,0,0|0,1,1]=4 531 B6R0.6 CCCCOCCl LT4489 [1,1,0,0,0,0|0,1,1]=4 532 B6R0.6 CCCCSC#N HL0290 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.6 CCCCSCC JZ4067 [1,1,0,0,0,0|0,0,1]=3 534 B6R0.6 CCCNCCC RT1163 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.6 CCCSSCC LT5405 [1,1,0,0,0,0|1,0,0]=3 536 B6R0.6 CCCSSSC JZ1910 [1,1,0,0,0,0|1,0,0]=3 537 B6R0.6 CCC\C=C/CO LQ1528 [1,1,0,0,0,0|1,0,0]=3 538 B6R0.6 CCC\C=C\C=O LQ3146 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.6 CCNCCCN HL4191 [1,1,0,0,0,0|2,0,0]=4 540 B6R0.6 CCOCCCCl XJ5236 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.6 CCOCCOC LQ2802 [1,1,0,0,0,0|0,1,1]=4 542 B6R0.6 CCSCSCC RT19812 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.6 CCSSSCC JZ2380 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.6 CC\C=C/CCO LT4581 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.6 CC\C=C\CCC HL0123 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.6 CC\C=C\OCC LQ1533 [1,1,0,0,0,0|0,1,1]=4 547 B6R0.6 CNCCCNC XJ0389 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.6 CSCCCSC LQ4459 [1,1,0,0,0,0|0,0,1]=3 549 B6R0.6 C\C=C\CCCO XJ3000 [1,1,0,0,0,0|1,0,0]=3 550 B6R0.6 C\C=C\SCCC YH55419 [1,1,0,0,0,0|1,0,0]=3 551 B6R0.8 CCP(=O)(Cl)CC XJ1551 [1,1,0,0,0,0|2,0,0]=4 552 B6R0.8 CCS(=O)(=O)CC LQ1119 [1,1,0,0,0,0|2,0,0]=4 553 B6R0.8 CCS(=O)(=O)OC LT2073 [1,1,0,0,0,0|1,1,0]=4 554 B6R0.9 CCN(C=O)CC LQ1209 [1,1,0,0,0,0|2,0,0]=4 555 B6R0.9 C\N=C(/NC)SC RT4830 [1,1,0,0,0,0|2,0,0]=4 556 B8R0.2 CCC(C)C(=O)C(=O)[O-] RT1093 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.2 COC(=O)C(=O)C(C)Br RT18729 [0,2,0,0,0,0|0,1,1]=4 558 B8R0.2 COC(=O)[C@@H](N)C(C)C LT7524 [0,2,0,0,0,0|0,1,0]=3 559 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O HL2513 [0,2,0,0,0,0|0,1,0]=3 560 B8R0.2 COC(=O)[C@H](N)[C@H](C)O LT7528 [0,2,0,0,0,0|0,1,0]=3 561 B8R0.5 CC(C)OC(=O)OCCl LT5932 [0,2,0,0,0,0|1,1,0]=4 562 B8R0.5 CCNC(=O)CC(C)=O RT17389 [0,2,0,0,0,0|1,0,1]=4 563 B8R0.5 CCOC(=O)C=C(C)C JZ4058 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.5 CCOC(=O)CC(C)=O JZ0311 [0,2,0,0,0,0|0,1,1]=4 565 B8R0.5 CCOC(=O)CC(C)O HL2936 [0,2,0,0,0,0|0,1,0]=3 566 B8R0.5 CCOC(=O)CN(C)C LT7396 [0,2,0,0,0,0|1,1,0]=4 567 B8R0.5 CCOC(=O)OC(C)I YH19442 [0,2,0,0,0,0|1,1,0]=4 568 B8R0.5 CCOC(=O)\C=C(/C)N LQ3251 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.19 CCC(=O)CC(=O)OC LT5551 [0,2,0,0,0,0|0,1,0]=3 570 B8R0.19 COC(=O)CC(=O)CCl XJ5114 [0,2,0,0,0,0|0,1,1]=4 571 B8R0.19 COC(=O)CC(=O)OC LQ0408 [0,2,0,0,0,0|0,1,1]=4 572 B8R0.19 COC(=O)CN(C)N=O RT1192 [0,2,0,0,0,0|1,1,0]=4 573 B8R0.19 COC(=O)C[C@H](O)CBr YH93213 [0,2,0,0,0,0|0,1,0]=3 574 B8R0.23 C=C(CC(C)C)C(C)=O RT0525 [0,2,0,0,0,0|2,0,0]=4 575 B8R0.23 CC(C)CC(=O)C(=O)[O-] XJ6659 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.23 CC(C)CC(=O)C(=O)[O-] YH04847 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.23 CC(C)OC(=O)[C@@H](C)N YH65800 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.23 CC(C)OC(=O)[C@H](C)N YH66351 [0,2,0,0,0,0|2,0,0]=4 579 B8R0.24 COC(=O)CC(C)(C)C XJ3591 [0,2,0,0,0,0|0,1,0]=3 580 B8R0.1 CCCC(=O)OCSC XJ6296 [0,2,0,0,0,0|0,0,0]=2 581 B8R0.1 CCCOC(=O)CCC XJ0331 [0,2,0,0,0,0|0,1,0]=3 582 B8R0.1 CCCOC(=O)OCCl RT17526 [0,2,0,0,0,0|0,1,0]=3 583 B8R0.1 CCOC(=O)CCCBr LT5161 [0,2,0,0,0,0|0,1,0]=3 584 B8R0.1 CCOC(=O)CCCN JZ3049 [0,2,0,0,0,0|0,1,0]=3 585 B8R0.1 CCOC(=O)CCSC LT5684 [0,2,0,0,0,0|0,1,0]=3 586 B8R0.1 CCOC(=O)COCCl RT0554 [0,2,0,0,0,0|1,1,0]=4 587 B8R0.1 CCOC(=O)NCCBr RT0086 [0,2,0,0,0,0|1,1,0]=4 588 B8R0.1 CCOC(=O)NCCCl YH11214 [0,2,0,0,0,0|1,1,0]=4 589 B8R0.1 CCOC(=O)\C=C\CBr LT2980 [0,2,0,0,0,0|2,0,0]=4 590 B8R0.1 CCOCC(=O)OCC LQ1457 [0,2,0,0,0,0|0,1,0]=3 591 B8R0.3 CCCC(Br)C(=O)OC JZ5299 [0,2,0,0,0,0|0,1,0]=3 592 B8R0.3 CCC[C@H](N)C(=O)OC YH07449 [0,2,0,0,0,0|0,1,0]=3 593 B8R0.3 CCOC(=O)C(=O)CBr LT7898 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.3 CCOC(=O)C(Br)CBr LT5069 [0,2,0,0,0,0|1,1,0]=4 595 B8R0.3 CCOC(=O)C(Br)CC LL0944 [0,2,0,0,0,0|0,1,0]=3 596 B8R0.3 CCOC(=O)C(C)OC RT0257 [0,2,0,0,0,0|1,1,0]=4 597 B8R0.3 CCOC(=O)C(N)CO YH58945 [0,2,0,0,0,0|1,1,0]=4 598 B8R0.3 CCOC(=O)C(O)CCl RT1135 [0,2,0,0,0,0|1,1,0]=4 599 B8R0.3 CCOC(=O)N(C)N=O RT17753 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.3 CCOC(=O)[C@@H](N)CO LQ4499 [0,2,0,0,0,0|1,1,0]=4 601 B8R0.3 CCOC(=O)[C@@H](N)CS JZ0417 [0,2,0,0,0,0|1,1,0]=4 602 B8R0.3 CCOC(=O)[C@H](N)CS JZ1383 [0,2,0,0,0,0|1,1,0]=4 603 B8R0.3 CC\C=C(/C)C(O)CC HL4673 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.3 COC(=O)C(Br)CCBr LL1241 [0,2,0,0,0,0|0,1,0]=3 605 B8R0.3 COC(=O)[C@H](N)CCCl YH46879 [0,2,0,0,0,0|0,1,0]=3 606 B8R0.6 C=CC(=O)OCCCC XJ0575 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.6 CCCCCC(=O)CC HL1322 [0,2,0,0,0,0|1,0,0]=3 608 B8R0.6 CCCCCC(=O)OC HL1324 [0,2,0,0,0,0|0,1,0]=3 609 B8R0.6 CCCCOC(=O)C=O LQ3022 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.6 CCCCOC(=O)CCl HL0074 [0,2,0,0,0,0|2,0,0]=4 611 B8R0.6 CCCCOC(=O)CO LT4349 [0,2,0,0,0,0|2,0,0]=4 612 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [0,2,0,0,0,0|0,1,0]=3 613 B8R0.6 CCO\C=C\C(=O)CC RT16428 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.6 COC(=O)CCCC=O YH09376 [0,2,0,0,0,0|0,1,0]=3 615 B8R0.6 COC(=O)CCCCCl XJ4043 [0,2,0,0,0,0|0,1,0]=3 616 B8R0.6 COC(=O)CCCCO RT18638 [0,2,0,0,0,0|0,1,0]=3 617 B8R0.6 COC(=O)CCN=C=S LQ4144 [0,2,0,0,0,0|0,1,1]=4 618 B8R0.6 COC(=O)COCCCl XJ6460 [0,2,0,0,0,0|0,1,0]=3 619 B8R0.8 C=C(C)C(=O)NCCO CJ3235 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.8 C=C(C)C(=O)OCCO XJ1395 [0,2,0,0,0,0|2,0,0]=4 621 B8R0.8 CCCOC(=O)[C@H](C)O LQ5281 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.9 C=CC(=O)OCC(C)C HL1320 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.9 C=CC(=O)OCC(C)O LT1991 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.9 C=CC(=O)OCC(C)O XJ4840 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.9 CCC(=O)OCC(C)C XJ0923 [0,2,0,0,0,0|1,0,0]=3 626 B8R0.9 COC(=O)CCC(=O)O LQ2566 [0,2,0,0,0,0|0,1,1]=4 627 B8R0.9 COC(=O)CNC(C)=O RT4975 [0,2,0,0,0,0|0,1,1]=4 628 B8R0.11 CCCCC(C=O)CC XJ0494 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.11 CCCCN(CC)N=O RT0217 [0,2,0,0,0,0|2,0,0]=4 630 B8R0.14 CCCC(=O)C(C)(C)C HL2939 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.14 CCOC(=O)C(C)(C)Br JZ3856 [0,2,0,0,0,0|2,0,0]=4 632 B8R0.14 CCOC(=O)C(C)(C)C LT5679 [0,2,0,0,0,0|2,0,0]=4 633 B8R0.14 CCOC(=O)C(C)(C)F CJ2462 [0,2,0,0,0,0|2,0,0]=4 634 B8R0.14 CCOC(=O)C(C)(C)S RT1366 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.14 CCOC(=O)C(C)(F)F CJ2360 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.15 CCCC(CC)C(=O)O RT16691 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.22 CCCC(C=O)CCC RT0259 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.22 CCCN(CCC)N=O RT1151 [0,2,0,0,0,0|2,0,0]=4 639 B8R0.22 CCSC(C=O)SCC RT19836 [0,2,0,0,0,0|1,0,1]=4 640 B8R0.13 COC(=O)[C@@](C)(O)CO RT0014 [0,2,0,0,0,0|1,1,0]=4 641 B8R0.20 CCC(=O)N(CC)CC XJ1563 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.20 CCN(CC)C(=O)SC RT19835 [0,2,0,0,0,0|1,0,0]=3 643 B8R0.20 CCN(CC)C(=S)SC RT0219 [0,2,0,0,0,0|1,1,0]=4 644 B8R0.31 CCCP(=O)(OC)OC RT1336 [0,2,0,0,0,0|1,1,0]=4 645 B6R1.2 BrC1CCCC1 LL0590 [1,0,0,1,0,0|1,0,1]=4 646 B6R1.2 CC1=NCCC1 XJ1415 [1,0,0,1,0,0|1,0,0]=3 647 B6R1.2 CC1=NCCN1 LL0953 [1,0,0,1,0,0|2,0,0]=4 648 B6R1.2 CC1=NCCO1 XJ1609 [1,0,0,1,0,0|1,0,1]=4 649 B6R1.2 CC1CCCC1 LL0238 [1,0,0,1,0,0|1,0,1]=4 650 B6R1.2 CC1CCCN1 XJ1351 [1,0,0,1,0,0|1,0,1]=4 651 B6R1.2 CC1CCCO1 YH65006 [1,0,0,1,0,0|0,0,2]=4 652 B6R1.2 CC1CCCS1 XJ1945 [1,0,0,1,0,0|0,1,1]=4 653 B6R1.2 C[C@@H]1CCCN1 JZ0867 [1,0,0,1,0,0|1,0,1]=4 654 B6R1.2 C[C@H]1CCCN1 HL3677 [1,0,0,1,0,0|1,0,1]=4 655 B6R1.2 ClC1CCCC1 LT4693 [1,0,0,1,0,0|1,0,1]=4 656 B6R1.2 NC1=NCCS1 XJ1926 [1,0,0,1,0,0|2,0,0]=4 657 B6R1.2 NC1CCCC1 LT4694 [1,0,0,1,0,0|1,0,1]=4 658 B6R1.2 O=C1C=CCC1 LQ1544 [1,0,0,1,0,0|0,0,2]=4 659 B6R1.2 O=C1CCCN1 RT14155 [1,0,0,1,0,0|1,0,0]=3 660 B6R1.2 O=C1CCCO1 YH98377 [1,0,0,1,0,0|0,1,0]=3 661 B6R1.2 O=C1CCCS1 HL0571 [1,0,0,1,0,0|0,0,0]=2 662 B6R1.2 O=C1CCNC1 HL2616 [1,0,0,1,0,0|1,0,0]=3 663 B6R1.2 O=C1CCNC1 YH98366 [1,0,0,1,0,0|1,0,0]=3 664 B6R1.2 O=C1CCOC1 LQ4327 [1,0,0,1,0,0|1,0,0]=3 665 B6R1.2 O=C1CCSC1 JZ1778 [1,0,0,1,0,0|1,0,0]=3 666 B6R1.2 O=C1NCCN1 RT14939 [1,0,0,1,0,0|2,0,0]=4 667 B6R1.2 O=C1NCCO1 LT6610 [1,0,0,1,0,0|1,1,0]=4 668 B6R1.2 O=C1NCCS1 XJ2235 [1,0,0,1,0,0|1,0,0]=3 669 B6R1.2 O=C1OCCO1 LL0243 [1,0,0,1,0,0|1,1,0]=4 670 B6R1.2 SC1CCCC1 LQ1887 [1,0,0,1,0,0|0,1,1]=4 671 B6R1.2 [Fe]C1CCCC1 HL0728 [1,0,0,1,0,0|1,0,1]=4 672 B6R1.2 [Fe]C1CCCC1 XJ1696 [1,0,0,1,0,0|1,0,1]=4 673 B6R1.5 CC1CC(=O)O1 HL2455 [1,0,0,1,0,0|0,1,0]=3 674 B6R1.11 CC(=O)C1CC1 LT4698 [1,0,0,1,0,0|0,0,0]=2 675 B6R1.11 CC(=O)C1CO1 YH01735 [1,0,0,1,0,0|1,0,0]=3 676 B6R1.11 CC(=O)N1CC1 RT15034 [1,0,0,1,0,0|1,0,0]=3 677 B6R1.11 C[C@H](N)C1CC1 LL2540 [1,0,0,1,0,0|1,0,1]=4 678 B6R1.11 N=C(N)C1CC1 XJ5811 [1,0,0,1,0,0|2,0,0]=4 679 B6R1.11 NC(=O)C1CC1 YH10544 [1,0,0,1,0,0|1,0,0]=3 680 B6R1.11 NC(=O)C1CO1 RT17350 [1,0,0,1,0,0|2,0,0]=4 681 B6R1.11 O=C(O)C1CO1 LX3011 [1,0,0,1,0,0|1,1,0]=4 682 B6R1.1 C1=CCCCC1 LL0447 [1,0,0,1,0,0|1,0,0]=3 683 B6R1.1 C1=CCOCC1 RT15029 [1,0,0,1,0,0|2,0,0]=4 684 B6R1.1 C1=COCCC1 JZ1390 [1,0,0,1,0,0|0,1,1]=4 685 B6R1.1 C1CC[NH2+]CC1 HL2776 [1,0,0,1,0,0|1,0,1]=4 686 B6R1.1 C1CSCCS1 XJ0886 [1,0,0,1,0,0|1,0,1]=4 687 B6R1.1 C1CSCSC1 XJ0885 [1,0,0,1,0,0|1,0,1]=4 688 B8R1.1 NCC1CNC(=O)O1 RT4366 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.1 NCC1COC(=O)N1 RT4368 [0,1,0,1,0,0|1,1,0]=4 690 B8R1.1 O=C1CC[C@@H](CO)N1 RT15015 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.1 O=C1CC[C@H](CO)N1 RT14231 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.4 CC1=CC(=O)CCC1 JZ4467 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.4 CC1CCCC(=O)O1 LQ1481 [0,1,0,1,0,0|0,1,0]=3 694 B8R1.4 CC1CCNC(=N)C1 LT0381 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.4 C[C@H]1CC(=O)CCO1 YH66361 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.4 NC1=CC(=O)CCC1 LQ2849 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.4 NC1CCCC(=O)C1 YH35862 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.4 NC1CCNC(=O)C1 JZ2737 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.4 O=C1CC(O)CCN1 HL4116 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.18 C=C1CC(C)OC1=O YH10932 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.18 CC1=NN(C)C(=O)C1 HL2323 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.18 CC1CC(=O)OC1=O LT7128 [0,1,0,1,0,0|0,1,1]=4 703 B8R1.18 CC1CC(=O)OC1=O XJ2618 [0,1,0,1,0,0|0,1,1]=4 704 B8R1.51 CC1(C)COC(=O)N1 LT5107 [0,1,0,1,0,0|1,1,0]=4 705 B8R1.51 CC1(C)COC(=O)O1 RT14540 [0,1,0,1,0,0|1,1,0]=4 706 B8R1.83 COC(=O)C1OC1C RT15027 [0,1,0,1,0,0|0,1,0]=3 707 B8R1.2 N#CC1=CCCCC1 HL2032 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.2 O=CC1=CCCCC1 JZ4462 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.2 O=CC1CCCCC1 JZ0373 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.2 O=CC1CCCCC1 LT7159 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.2 O=CN1CCCCC1 JZ2045 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.3 CC1=CCC(=O)CC1 RT16462 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.3 CC1CCC(=O)CC1 HL0070 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.3 CN1CCC(=O)CC1 RT15013 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.3 O=C1CCC(=O)CC1 JZ4052 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.3 O=C1CCC(=O)NC1 YH04988 [0,1,0,1,0,0|1,0,1]=4 717 B8R1.3 O=C1CCC(O)CC1 LQ3627 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.3 O=C1CC[C@@H](O)CN1 YH21770 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.3 O=C1CC[C@@H](O)CN1 YH43352 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.3 O=C1CC[C@H](O)CN1 YH48824 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.5 C=C1CCCCC1Cl RT11015 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.5 CC1CCCCC1=O XJ1009 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.5 CC1CNCCC1=O YH08115 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.5 NC1CCCNC1=O YH33632 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.5 NN1CCCCC1=O YH54161 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.5 NN1CCCOC1=O RT4104 [0,1,0,1,0,0|1,1,0]=4 727 B8R1.5 O=C1CCCC=C1I YH66603 [0,1,0,1,0,0|1,0,1]=4 728 B8R1.5 O=C1CCCCC1=O XJ1356 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.5 O=C1CCCCC1Br LX2735 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.5 O=C1CCCCC1Cl LQ1480 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.5 O=C1CCCCC1F LQ1350 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.5 O=C1CCNCC1F YH23614 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.5 O=C1CCOCC1O CJ3043 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.22 O=C1CCCCCC1 LT4672 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.22 O=C1CCCNCC1 XJ5502 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.22 O=C1COCCOC1 YH51929 [0,1,0,1,0,0|1,1,0]=4 737 B8R1.38 COC(=O)C1CNC1 YH20266 [0,1,0,1,0,0|0,1,0]=3 738 B8R1.50 CC1=C(O)C(=O)CC1 XJ0127 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.50 CC1CSC(C)C1=O RT4653 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.50 CN1C(=O)CCC1O RT14805 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.7 CC(=O)C1=NCCC1 RT14173 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.37 CCOC(=O)C1CC1 HL2819 [0,1,0,1,0,0|0,1,0]=3 743 B8R1.37 N#CCC(=O)C1CC1 RT17410 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.11 CCC1CCCC1=O XJ2821 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.11 CCN1CCCC1=O YH50862 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.11 N#CC1CCCC1=O JZ2170 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.39 CC1(C(=O)NN)CC1 YH15942 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.39 COC(=O)C1(N)CC1 RT5082 [0,1,0,1,0,0|0,1,0]=3 749 B8R1.39 COC(=O)C1(N)CC1 YH00987 [0,1,0,1,0,0|0,1,0]=3 750 B8R1.39 COC(=O)C1(O)CC1 RT17524 [0,1,0,1,0,0|0,1,0]=3 751 B8R1.72 O=S1(=O)CCCCO1 HL0926 [0,1,0,1,0,0|1,1,0]=4