0 B4R0.2 C#CCCC HL0250 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C#CCCO LT6746 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 C#CCNC RT0490 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 C=CCCBr LQ2822 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C=CCCN LQ2198 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C=CCOC HL0257 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 C=C\C=C\C XJ0878 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.2 CC#CCO XJ1336 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 CCCCN LQ2553 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.2 CCCCS LL0387 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 CCCC[O-] HL2476 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.2 CCCC[O-] LQ4485 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 CCC[Mg]Br LQ1517 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 CCC[Mg]Cl XJ2093 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 CCC[Zn-]Br HL3580 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 CCOC=N LQ3955 [0,0,0,0,0,0|1,1,1]=3 16 B4R0.2 CCOC=O LL0396 [0,0,0,0,0,0|1,1,1]=3 17 B4R0.2 CCOCC LL1197 [0,0,0,0,0,0|0,1,0]=1 18 B4R0.2 CCOCC XJ5008 [0,0,0,0,0,0|0,1,0]=1 19 B4R0.2 CCSC#N XJ0959 [0,0,0,0,0,0|1,0,1]=2 20 B4R0.2 CCSSC LQ4240 [0,0,0,0,0,0|1,0,0]=1 21 B4R0.2 CC[AlH3+]CC LL0219 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.2 CC[N-]CC RT4825 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.2 CC[NH2+]CC XJ6105 [0,0,0,0,0,0|1,0,0]=1 24 B4R0.2 CC[Se]CC RT0534 [0,0,0,0,0,0|0,1,0]=1 25 B4R0.2 CNCCCl RT4724 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CNCCCl YH54353 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.2 CNCCN LL0389 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.2 COCC#N JZ4756 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.2 COCCN LL0392 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.2 COCCO XJ3502 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 CSCC=O JZ5555 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.2 CSCCO JZ2661 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.2 CSSSC LT5322 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.2 C\C=C/CO YH00287 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.2 C\C=C\C=O XJ0511 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.2 C\C=C\CC XJ1213 [0,0,0,0,0,0|1,0,1]=2 37 B4R0.2 C\C=C\CCl HL0110 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.2 C\C=C\CN YH07653 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.2 ClCCCI JZ3062 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.2 Cl\C=C\CCl XJ0956 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.2 FCCCBr SY0223 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.2 N#CCCBr JZ2023 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.2 N#CCCO RT1105 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.2 N#CSCCl XJ2419 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.2 NCCCBr HL2839 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.2 NCCCCl LT6768 [0,0,0,0,0,0|3,0,0]=3 47 B4R0.2 NCCON RT0317 [0,0,0,0,0,0|4,0,0]=4 48 B4R0.2 NNCCO LT2306 [0,0,0,0,0,0|4,0,0]=4 49 B4R0.2 OCCCBr HL0249 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.2 OCCCI HL0254 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.2 OCCCO XJ0879 [0,0,0,0,0,0|3,0,0]=3 52 B4R0.2 SCCCS LL0388 [0,0,0,0,0,0|3,0,0]=3 53 B3R0.1 C#CCCl XJ1172 [1,0,0,0,0,0|1,0,2]=4 54 B3R0.1 C#CCN RT16379 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.1 C#CCN XJ2196 [1,0,0,0,0,0|1,0,2]=4 56 B3R0.1 C=C=CC HL0077 [1,0,0,0,0,0|0,0,3]=4 57 B3R0.1 C=CCBr RT17399 [1,0,0,0,0,0|1,0,2]=4 58 B3R0.1 C=CCC HL1334 [1,0,0,0,0,0|0,0,2]=3 59 B3R0.1 C=CCI LQ1006 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.1 C=CCN XJ6235 [1,0,0,0,0,0|1,0,2]=4 61 B3R0.1 C=CCO LT3384 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 C=CCS LT3385 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 CCC=S LT2311 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.1 CCCCl XJ0925 [1,0,0,0,0,0|1,0,0]=2 65 B3R0.1 CCON LT7287 [1,0,0,0,0,0|1,1,0]=3 66 B3R0.1 CCSC XJ1178 [1,0,0,0,0,0|0,0,0]=1 67 B3R0.1 CN=C=O XJ1176 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.1 CNOC LT1363 [1,0,0,0,0,0|1,1,0]=3 69 B3R0.1 COCCl RT17912 [1,0,0,0,0,0|1,1,0]=3 70 B3R0.1 CSC#N LQ1008 [1,0,0,0,0,0|1,0,1]=3 71 B3R0.1 CSCCl LQ2158 [1,0,0,0,0,0|1,0,0]=2 72 B3R0.1 C\C=N\O LT3638 [1,0,0,0,0,0|2,0,1]=4 73 B3R0.1 ClCCCl XJ5613 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 FCCBr XJ1331 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.1 N#CCI XJ1173 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.1 N#CCN JZ2807 [1,0,0,0,0,0|2,0,1]=4 77 B3R0.1 N#CCN YH65552 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.1 NCCCl XJ1403 [1,0,0,0,0,0|2,0,0]=3 79 B3R0.1 NCCN JZ1006 [1,0,0,0,0,0|2,0,0]=3 80 B3R0.1 NCCN JZ4960 [1,0,0,0,0,0|2,0,0]=3 81 B3R0.1 NCCN LT5412 [1,0,0,0,0,0|2,0,0]=3 82 B3R0.1 NCCN LT7506 [1,0,0,0,0,0|2,0,0]=3 83 B3R0.1 NCCN XJ4257 [1,0,0,0,0,0|2,0,0]=3 84 B3R0.1 NCCO XJ0576 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.1 NCCS LL0054 [1,0,0,0,0,0|2,0,0]=3 86 B3R0.1 NCCS LQ0646 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.1 OCCBr XJ0924 [1,0,0,0,0,0|2,0,0]=3 88 B3R0.1 OCCO LT7654 [1,0,0,0,0,0|2,0,0]=3 89 B3R0.1 [2H]OCC RT1050 [1,0,0,0,0,0|1,1,0]=3 90 B3R0.1 [Li]CCC LQ1980 [1,0,0,0,0,0|1,0,0]=2 91 B3R0.1 [O-]CC[O-] RT16375 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 BrCCC(Br)Br YH44143 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.1 C#CCC(C)O LQ2032 [0,1,0,0,0,0|1,0,2]=4 94 B5R0.1 C=C(C)OCC LT1730 [0,1,0,0,0,0|0,1,1]=3 95 B5R0.1 C=CCC(C)C LQ1324 [0,1,0,0,0,0|1,0,2]=4 96 B5R0.1 C=CCC(C)O XJ1184 [0,1,0,0,0,0|1,0,2]=4 97 B5R0.1 CC#C[C@H](C)O HL4870 [0,1,0,0,0,0|1,0,1]=3 98 B5R0.1 CC(=O)CCS XJ5155 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.1 CC(Br)CCBr HL1367 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.1 CC(C)=CCBr YH91045 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 CC(C)=CCN YH33589 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(C)=CCO LT3091 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(C)CC#N XJ1183 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.1 CC(C)CCCl HL1371 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.1 CC(C)CCI XJ0935 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.1 CC(C)N=C=O LT4097 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.1 CC(C)OC=O XJ1196 [0,1,0,0,0,0|1,1,1]=4 108 B5R0.1 CC(O)CC=O HL1375 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.1 CCCC(=O)[O-] XJ2982 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 CCCC(C)C HL1370 [0,1,0,0,0,0|1,0,0]=2 111 B5R0.1 CCCC(C)C HL4500 [0,1,0,0,0,0|1,0,0]=2 112 B5R0.1 CCCC(N)=O XJ0937 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.1 CCC[C@H](C)O LQ4668 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.1 CCNC(C)=O XJ1192 [0,1,0,0,0,0|1,0,1]=3 118 B5R0.1 CCNC(N)=O XJ1194 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.1 CCNC(N)=O XJ3539 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.1 CCNC(N)=S XJ1195 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.1 CCOC(=O)Cl XJ0938 [0,1,0,0,0,0|1,1,1]=4 122 B5R0.1 CCOC(=O)O XJ1147 [0,1,0,0,0,0|1,1,1]=4 123 B5R0.1 CCOC(=S)[S-] XJ0564 [0,1,0,0,0,0|1,1,1]=4 124 B5R0.1 CCOC(N)=O RT0197 [0,1,0,0,0,0|1,1,1]=4 125 B5R0.1 CCO[Si](=O)O JZ3510 [0,1,0,0,0,0|1,2,0]=4 126 B5R0.1 CCSC(=N)N RT19776 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.1 CCSC(C)=O HL4138 [0,1,0,0,0,0|0,0,1]=2 128 B5R0.1 CCSC(C)=O XJ1197 [0,1,0,0,0,0|0,0,1]=2 129 B5R0.1 CC[NH2+]C(=N)N LQ2498 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.1 CN(C)CCCl HL2802 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 CN(C)CCN HL1382 [0,1,0,0,0,0|3,0,0]=4 132 B5R0.1 CN(C)CCO HL1383 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 CN(C)CCS LT4952 [0,1,0,0,0,0|3,0,0]=4 134 B5R0.1 COCC(C)=O LT7464 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.1 COCC(C)N XJ5266 [0,1,0,0,0,0|2,0,0]=3 136 B5R0.1 COC[C@H](C)N XJ6713 [0,1,0,0,0,0|2,0,0]=3 137 B5R0.1 C[C@@H](N)CC#N YH66415 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 C[C@@H](N)CCO RT0497 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 C[C@@H](O)CCO SY0267 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.1 C[C@H](N)CC#N YH66374 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 C\C(Cl)=C\CO RT17544 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 C\C(I)=C/CO RT17534 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.2 BrCCCCBr RT17667 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.2 BrC\C=C\CBr LT4968 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.2 C#CCCCBr RT0013 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.2 C#CCCCC LQ1326 [0,1,0,0,0,0|1,0,1]=3 148 B5R0.2 C#CCCCO XJ2908 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.2 C#CCCCS RT16516 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.2 C=CCCCBr XJ1587 [0,1,0,0,0,0|1,0,2]=4 151 B5R0.2 C=CC\C=C\C HL0119 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.2 CCC#CCBr RT0546 [0,1,0,0,0,0|1,0,1]=3 153 B5R0.2 CCCCC#N LL0427 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.2 CCCCCI HL0274 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.2 CCCCNC LL0434 [0,1,0,0,0,0|1,0,0]=2 156 B5R0.2 CCCCSC HL0277 [0,1,0,0,0,0|1,0,0]=2 157 B5R0.2 CCCC[SnH]=O LQ5214 [0,1,0,0,0,0|2,0,0]=3 158 B5R0.2 CCCN=C=O LL0443 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.2 CCCN=C=S HL0278 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.2 CCCOC=O LL0440 [0,1,0,0,0,0|1,1,1]=4 161 B5R0.2 CCCOCCl JZ2364 [0,1,0,0,0,0|1,1,0]=3 162 B5R0.2 CCCSC#N LQ2617 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.2 CCCSCC LT5403 [0,1,0,0,0,0|0,0,0]=1 164 B5R0.2 CCNCCO LL0439 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.2 CCNNCC LQ3339 [0,1,0,0,0,0|1,0,0]=2 166 B5R0.2 CCOCCBr HL0120 [0,1,0,0,0,0|0,1,0]=2 167 B5R0.2 CCOCCCl HL0279 [0,1,0,0,0,0|0,1,0]=2 168 B5R0.2 CCOCCO LL0444 [0,1,0,0,0,0|0,1,0]=2 169 B5R0.2 CCO\C=C\Cl RT17648 [0,1,0,0,0,0|0,1,2]=4 170 B5R0.2 CC\C=C\CC JZ3712 [0,1,0,0,0,0|1,0,0]=2 171 B5R0.2 CNCCNC LL0436 [0,1,0,0,0,0|2,0,0]=3 172 B5R0.2 CNCCOC LQ4938 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.2 COCCC#N LL0433 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.2 COCCC=O YH51649 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.2 COCCCCl LQ4914 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.2 COCCCN LT2986 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.2 CSCCC=O LT3092 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.2 CSCCCN XJ2622 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.2 CSCCCO XJ0883 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.2 CSC\C=N\O LQ3457 [0,1,0,0,0,0|3,0,0]=4 181 B5R0.2 C\C=C\CCC XJ2577 [0,1,0,0,0,0|1,0,1]=3 182 B5R0.2 ClCCCCI XJ3625 [0,1,0,0,0,0|2,0,0]=3 183 B5R0.2 ClCCOCCl HL0847 [0,1,0,0,0,0|1,1,0]=3 184 B5R0.2 ClC\C=C/CCl LT6210 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.2 ClC\C=C\CCl LL0426 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.2 ICCCCI HL0276 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.2 N#CCCCBr XJ2830 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.2 NCCCCCl JZ1120 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.2 NCCCCN LL0428 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.2 NCCCCO XJ3835 [0,1,0,0,0,0|2,0,0]=3 191 B5R0.2 NOCCCS RT0541 [0,1,0,0,0,0|3,0,0]=4 192 B5R0.2 O=C=NCCCl LT6514 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.2 OCC#CCCl JZ3715 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.2 OCCCCCl LQ1521 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.2 OCCCCF RT1165 [0,1,0,0,0,0|2,0,0]=3 196 B5R0.2 OCCOCCl RT1169 [0,1,0,0,0,0|1,1,0]=3 197 B5R0.2 OC\C=C\CBr RT1108 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.2 S=C=NCCBr HL0884 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.2 S=C=NCCCl JZ2873 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.3 BrCC(Br)CBr LL0220 [0,1,0,0,0,0|3,0,0]=4 201 B5R0.3 C#CC(O)CC HL2704 [0,1,0,0,0,0|1,0,2]=4 202 B5R0.3 C=C(CC)CC XJ1324 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.3 C=CC(C)CC XJ1323 [0,1,0,0,0,0|1,0,2]=4 204 B5R0.3 CC(CO)CO JZ1881 [0,1,0,0,0,0|3,0,0]=4 205 B5R0.3 CCC(=O)NC JZ4434 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.3 CCC(Br)CC XJ1961 [0,1,0,0,0,0|1,0,0]=2 207 B5R0.3 CCC(C)C=O LL0224 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.3 CCC(C)CBr LQ2987 [0,1,0,0,0,0|2,0,0]=3 209 B5R0.3 CCC(C)CBr LQ3410 [0,1,0,0,0,0|2,0,0]=3 210 B5R0.3 CCC(C)CC LL0223 [0,1,0,0,0,0|1,0,0]=2 211 B5R0.3 CCC(C)CCl LQ1182 [0,1,0,0,0,0|2,0,0]=3 212 B5R0.3 CCC(C)CO LL0587 [0,1,0,0,0,0|2,0,0]=3 213 B5R0.3 CCC(C)NC LQ3344 [0,1,0,0,0,0|2,0,0]=3 214 B5R0.3 CCC(Cl)CCl LQ1184 [0,1,0,0,0,0|2,0,0]=3 215 B5R0.3 CCC(N)CC LQ1186 [0,1,0,0,0,0|1,0,0]=2 216 B5R0.3 CCC(N)CO LL0227 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.3 CCC(S)CS XJ4247 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.3 CCN(C)CC LQ1190 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.3 CCN(C)N=O RT17894 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.3 CCN(O)CC HL2577 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.3 CC[C@@H](C)CO LQ1183 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.3 CC[C@@H](O)CO LQ5013 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.3 CC[C@H](C)CBr LL0949 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.3 CC[C@H](O)CO HL4502 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.3 CC\C(C)=N\O LL0233 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.3 COC(=O)CN RT5049 [0,1,0,0,0,0|3,0,0]=4 227 B5R0.3 COC(=O)OC LQ1189 [0,1,0,0,0,0|3,0,0]=4 228 B5R0.3 NC(CO)CO LL1303 [0,1,0,0,0,0|3,0,0]=4 229 B5R0.3 NCC(O)CN LQ1188 [0,1,0,0,0,0|3,0,0]=4 230 B5R0.3 NCC(O)CO JZ0486 [0,1,0,0,0,0|3,0,0]=4 231 B5R0.3 NC[C@H](O)CO YH09994 [0,1,0,0,0,0|3,0,0]=4 232 B5R0.3 NC[C@H](O)CO YH45696 [0,1,0,0,0,0|3,0,0]=4 233 B5R0.3 O=C(CBr)CBr LQ1454 [0,1,0,0,0,0|3,0,0]=4 234 B5R0.3 O=C(CF)CF CJ2432 [0,1,0,0,0,0|3,0,0]=4 235 B5R0.3 O=C(CI)CI RT0766 [0,1,0,0,0,0|3,0,0]=4 236 B5R0.3 O=C(CO)CO LL1029 [0,1,0,0,0,0|3,0,0]=4 237 B5R0.3 OC(CBr)CBr LL0228 [0,1,0,0,0,0|3,0,0]=4 238 B5R0.3 OC(CCl)CCl LL0229 [0,1,0,0,0,0|3,0,0]=4 239 B5R0.3 OCC(Br)CBr LL0222 [0,1,0,0,0,0|3,0,0]=4 240 B5R0.3 OCC(Br)CO RT0384 [0,1,0,0,0,0|3,0,0]=4 241 B5R0.3 OCC(Cl)CCl LQ1185 [0,1,0,0,0,0|3,0,0]=4 242 B5R0.3 OCC(Cl)CO RT1084 [0,1,0,0,0,0|3,0,0]=4 243 B5R0.3 OCC(O)CBr RT0218 [0,1,0,0,0,0|3,0,0]=4 244 B5R0.3 OCC(O)CCl LL0230 [0,1,0,0,0,0|3,0,0]=4 245 B5R0.3 OCC(O)CI RT1254 [0,1,0,0,0,0|3,0,0]=4 246 B5R0.3 OCC(O)CO LT6375 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.3 OCC(O)CO RT14397 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.3 OCC(O)CO XJ4849 [0,1,0,0,0,0|3,0,0]=4 249 B5R0.3 OCC(O)CS LL0232 [0,1,0,0,0,0|3,0,0]=4 250 B5R0.3 OC[C@H](O)CBr YH33404 [0,1,0,0,0,0|3,0,0]=4 251 B5R0.3 OC[C@H](O)CCl LT5275 [0,1,0,0,0,0|3,0,0]=4 252 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,1,0,0,0,0|3,0,0]=4 253 B5R1.1 C1=CCNC1 LL0398 [0,0,0,1,0,0|1,0,2]=4 254 B5R1.1 C1=CCNC1 YH11319 [0,0,0,1,0,0|1,0,2]=4 255 B5R1.1 C1=COCC1 RT14584 [0,0,0,1,0,0|0,1,2]=4 256 B5R1.1 C1=NCCO1 XJ4908 [0,0,0,1,0,0|1,1,1]=4 257 B5R1.1 C1CCCC1 LT4684 [0,0,0,1,0,0|1,0,0]=2 258 B5R1.1 C1CCCC1 LT5516 [0,0,0,1,0,0|1,0,0]=2 259 B5R1.1 C1CCCC1 XJ1692 [0,0,0,1,0,0|1,0,0]=2 260 B5R1.1 C1CCNC1 JZ1776 [0,0,0,1,0,0|1,0,0]=2 261 B5R1.1 C1CCOC1 JZ5471 [0,0,0,1,0,0|0,1,0]=2 262 B5R1.1 C1CCOC1 LL0399 [0,0,0,1,0,0|0,1,0]=2 263 B5R1.1 C1CCOC1 LQ4465 [0,0,0,1,0,0|0,1,0]=2 264 B5R1.1 C1CNCN1 XJ0880 [0,0,0,1,0,0|2,0,0]=3 265 B5R1.1 C1COCN1 RT14144 [0,0,0,1,0,0|1,1,0]=3 266 B5R1.2 BrC1CCC1 LT7156 [0,0,0,1,0,0|2,0,0]=3 267 B5R1.2 FC1CNC1 RT4119 [0,0,0,1,0,0|3,0,0]=4 268 B5R1.2 FC1CNC1 YH65878 [0,0,0,1,0,0|3,0,0]=4 269 B5R1.2 IC1COC1 YH65509 [0,0,0,1,0,0|3,0,0]=4 270 B5R1.2 NC1COC1 LQ4263 [0,0,0,1,0,0|3,0,0]=4 271 B5R1.2 NC1COC1 YH65543 [0,0,0,1,0,0|3,0,0]=4 272 B5R1.2 O=C1CCC1 LT7155 [0,0,0,1,0,0|2,0,1]=4 273 B5R1.2 OC1CCC1 JZ2141 [0,0,0,1,0,0|2,0,0]=3 274 B5R1.2 OC1CNC1 LQ5145 [0,0,0,1,0,0|3,0,0]=4 275 B5R1.2 OC1CNC1 LX2402 [0,0,0,1,0,0|3,0,0]=4 276 B5R1.2 OC1COC1 JZ3200 [0,0,0,1,0,0|3,0,0]=4 277 B5R1.3 BrCC1CC1 LT6195 [0,0,0,1,0,0|2,0,0]=3 278 B5R1.3 BrCC1CO1 LQ2403 [0,0,0,1,0,0|3,0,0]=4 279 B5R1.3 Br[Mg]C1CC1 XJ4727 [0,0,0,1,0,0|3,0,0]=4 280 B5R1.3 CNC1CC1 YH13207 [0,0,0,1,0,0|2,0,0]=3 281 B5R1.3 ClCC1CO1 RT15055 [0,0,0,1,0,0|3,0,0]=4 282 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,0,0,1,0,0|3,0,0]=4 283 B5R1.3 NCC1CC1 HL2308 [0,0,0,1,0,0|2,0,0]=3 284 B5R1.3 O=CC1CC1 HL0901 [0,0,0,1,0,0|2,0,1]=4 285 B5R1.3 OCC1CC1 LT7741 [0,0,0,1,0,0|2,0,0]=3 286 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,0,0,1,0,0|3,0,0]=4 287 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,0,0,1,0,0|3,0,0]=4 288 B5R1.4 CC1OC1C XJ2416 [0,0,0,1,0,0|0,1,0]=2 289 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,0,0,1,0,0|0,1,0]=2 290 B2R0.1 CC#N LL1068 [2,0,0,0,0,0|1,0,1]=4 291 B2R0.1 CC#N LQ3779 [2,0,0,0,0,0|1,0,1]=4 292 B2R0.1 CC=O LQ0081 [2,0,0,0,0,0|0,1,1]=4 293 B2R0.1 CCN LQ1083 [2,0,0,0,0,0|1,0,0]=3 294 B2R0.1 CCS LQ0071 [2,0,0,0,0,0|0,0,0]=2 295 B2R0.1 CC[O-] HL0532 [2,0,0,0,0,0|0,1,0]=3 296 B2R0.1 CC[O-] HL2878 [2,0,0,0,0,0|0,1,0]=3 297 B2R0.1 CC[O-] HL4901 [2,0,0,0,0,0|0,1,0]=3 298 B2R0.1 CC[O-] JZ1966 [2,0,0,0,0,0|0,1,0]=3 299 B2R0.1 CC[O-] JZ2286 [2,0,0,0,0,0|0,1,0]=3 300 B2R0.1 CC[O-] JZ4882 [2,0,0,0,0,0|0,1,0]=3 301 B2R0.1 CC[O-] XJ5943 [2,0,0,0,0,0|0,1,0]=3 302 B2R0.1 CSC JZ3723 [2,0,0,0,0,0|0,0,0]=2 303 B2R0.1 C[Hg]O LQ1729 [2,0,0,0,0,0|1,1,0]=4 304 B2R0.1 C[N-]C JZ2361 [2,0,0,0,0,0|1,0,0]=3 305 B2R0.1 C[Se]C LQ1086 [2,0,0,0,0,0|0,1,0]=3 306 B2R0.1 C[SiH2]Cl XJ1512 [2,0,0,0,0,0|1,1,0]=4 307 B2R0.1 ClCBr RT13506 [2,0,0,0,0,0|2,0,0]=4 308 B2R0.1 FCI RT17533 [2,0,0,0,0,0|2,0,0]=4 309 B2R0.1 NCN XJ5787 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.1 BrCC(Br)Br LL0122 [1,1,0,0,0,0|2,0,0]=4 311 B4R0.1 C#CC(C)O JZ2135 [1,1,0,0,0,0|0,0,2]=4 312 B4R0.1 C#C[C@H](C)N RT3964 [1,1,0,0,0,0|0,0,2]=4 313 B4R0.1 C=C(Br)CC LQ4356 [1,1,0,0,0,0|0,0,2]=4 314 B4R0.1 C=C(C)CC LQ1059 [1,1,0,0,0,0|0,0,1]=3 315 B4R0.1 C=C(C)OC HL1466 [1,1,0,0,0,0|0,1,1]=4 316 B4R0.1 C=CC(C)Cl LQ1061 [1,1,0,0,0,0|0,0,2]=4 317 B4R0.1 CC(=O)CBr LQ1137 [1,1,0,0,0,0|1,0,1]=4 318 B4R0.1 CC(=O)CN LX3064 [1,1,0,0,0,0|1,0,1]=4 319 B4R0.1 CC(Br)CBr LL0123 [1,1,0,0,0,0|1,0,0]=3 320 B4R0.1 CC(Br)CCl XJ2375 [1,1,0,0,0,0|1,0,0]=3 321 B4R0.1 CC(C)CI HL1913 [1,1,0,0,0,0|1,0,0]=3 322 B4R0.1 CC(C)CS HL1915 [1,1,0,0,0,0|1,0,0]=3 323 B4R0.1 CC(C)NN LQ3967 [1,1,0,0,0,0|2,0,0]=4 324 B4R0.1 CC(C)NO LT5054 [1,1,0,0,0,0|2,0,0]=4 325 B4R0.1 CC(N)C#N LT6014 [1,1,0,0,0,0|1,0,1]=4 326 B4R0.1 CC(N)CN YH43801 [1,1,0,0,0,0|1,0,0]=3 327 B4R0.1 CC(N)CO JZ1400 [1,1,0,0,0,0|1,0,0]=3 328 B4R0.1 CC(O)CF YH01374 [1,1,0,0,0,0|1,0,0]=3 329 B4R0.1 CCB(O)O XJ2684 [1,1,0,0,0,0|2,0,0]=4 330 B4R0.1 CCC(=O)Cl YH19012 [1,1,0,0,0,0|1,0,1]=4 331 B4R0.1 CCC(=O)[O-] HL1636 [1,1,0,0,0,0|1,0,1]=4 332 B4R0.1 CCC(=O)[O-] LQ1030 [1,1,0,0,0,0|1,0,1]=4 333 B4R0.1 CCC(C)I LT2185 [1,1,0,0,0,0|0,0,0]=2 334 B4R0.1 CC[C@@H](C)N JZ3698 [1,1,0,0,0,0|0,0,0]=2 335 B4R0.1 COC(C)=N YH35544 [1,1,0,0,0,0|0,1,1]=4 336 B4R0.1 COC(C)C RT17590 [1,1,0,0,0,0|0,1,0]=3 337 B4R0.1 COC(Cl)Cl XJ2773 [1,1,0,0,0,0|1,1,0]=4 338 B4R0.1 CSC(=N)N HL3579 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.1 CSC(C)C LT4098 [1,1,0,0,0,0|0,0,0]=2 340 B4R0.1 CS[S+](C)C HL3015 [1,1,0,0,0,0|1,0,0]=3 341 B4R0.1 C[C@@H](N)CN YH65431 [1,1,0,0,0,0|1,0,0]=3 342 B4R0.1 C[C@@H](O)CN LT7643 [1,1,0,0,0,0|1,0,0]=3 343 B4R0.1 C[C@H](Cl)CO JZ5320 [1,1,0,0,0,0|1,0,0]=3 344 B4R0.1 C[C@H](Cl)CO XJ5311 [1,1,0,0,0,0|1,0,0]=3 345 B4R0.1 C[C@H](N)CO HL2372 [1,1,0,0,0,0|1,0,0]=3 346 B4R0.1 C[C@H](N)CO LT7580 [1,1,0,0,0,0|1,0,0]=3 347 B4R0.1 C[C@H](O)CCl JZ5302 [1,1,0,0,0,0|1,0,0]=3 348 B4R0.1 C\C=C(\C)Br JZ3724 [1,1,0,0,0,0|0,0,2]=4 349 B4R0.1 ClCC(Cl)Cl LL0136 [1,1,0,0,0,0|2,0,0]=4 350 B4R0.1 [C@@H](C)(O)CO LQ2624 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.1 BrCCC(Br)CBr LQ4943 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.1 C#CC(C)CCC LQ5005 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.1 C#CC(O)CCC XJ0311 [0,2,0,0,0,0|1,0,1]=4 354 B6R0.1 C(Cl)CC(=O)OC LT5092 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.1 CCC(=O)CSC JZ4808 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.1 CCC(C)CC=O JZ5060 [0,2,0,0,0,0|1,0,1]=4 357 B6R0.1 CCC(C)CCO HL0061 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.1 CCC(C)CCO LL2797 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.1 CCC(C)CCO LQ4221 [0,2,0,0,0,0|1,0,0]=3 360 B6R0.1 CCCC(=O)CC HL0062 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.1 CCCC(=O)OC XJ1144 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.1 CCCC(=O)SC XJ2150 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.1 CCCC(Br)CBr JZ2283 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.1 CCCC(C)C#N YH11272 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.1 CCCC(C)CC HL0060 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.1 CCOC(=O)CBr JZ0369 [0,2,0,0,0,0|0,1,1]=4 367 B6R0.1 CCOC(=O)CN JZ1544 [0,2,0,0,0,0|0,1,1]=4 368 B6R0.1 CCOC(=O)[13CH2]N RT5563 [0,2,0,0,0,0|0,1,1]=4 369 B6R0.1 CCO\C(C)=N\O JZ3459 [0,2,0,0,0,0|0,1,1]=4 370 B6R0.1 CCSC(=O)CC LT5718 [0,2,0,0,0,0|0,0,0]=2 371 B6R0.1 CC\C=C(/C)C=O XJ1141 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.1 CNCC(=O)OC JZ4592 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.1 CNCC(O)CO LT2424 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.1 COC(=O)CCN LT4189 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.1 COC(=O)CCS JZ2165 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.1 COCC(O)CCl HL2667 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.1 COCC(O)CO LT2370 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.1 COC[C@@H](N)CO LX2569 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.1 N[C@H](CS)CCS RT1463 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.1 OCC[C@@H](O)CO YH14636 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.1 OCC[C@H](O)CO LQ5089 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.2 CC(=O)CC(C)C LQ0378 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.2 CC(=O)OC(C)Br LQ5001 [0,2,0,0,0,0|0,1,1]=4 384 B6R0.2 CC(=O)OC(C)C LQ0385 [0,2,0,0,0,0|0,1,1]=4 385 B6R0.2 CC(C)CC(C)C LQ0376 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.2 CC(C)CC(C)N XJ6268 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.2 CC(C)C[C@H](C)O JZ4964 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.2 CC(C)NC(C)C YH12518 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.2 CC(C)SC(=N)N XJ5791 [0,2,0,0,0,0|1,0,1]=4 390 B6R0.2 CC(Cl)CN(C)C HL0587 [0,2,0,0,0,0|2,0,0]=4 391 B6R0.2 CC(Cl)CN(C)C HL2803 [0,2,0,0,0,0|2,0,0]=4 392 B6R0.2 CC(O)CC(C)O XJ1198 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.2 C[C@H](O)CN(C)C YH05901 [0,2,0,0,0,0|2,0,0]=4 394 B6R0.3 CC(C)[C@@H](C)CO RT0504 [0,2,0,0,0,0|2,0,0]=4 395 B6R0.3 CC(C)[C@H](C)CBr RT1116 [0,2,0,0,0,0|2,0,0]=4 396 B6R0.3 CC(C)[C@H](C)CO RT1115 [0,2,0,0,0,0|2,0,0]=4 397 B6R0.3 CC(C)[C@H](N)CO LT7570 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.3 CCC(=O)N(C)C XJ1308 [0,2,0,0,0,0|2,0,0]=4 399 B6R0.3 CCC(=O)N(C)C XJ1318 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.3 CCC(C)C(C)C LL0990 [0,2,0,0,0,0|1,0,0]=3 401 B6R0.3 CCC(O)C(C)C LL0993 [0,2,0,0,0,0|1,0,0]=3 402 B6R0.3 CCC(S)C(C)=O LL1144 [0,2,0,0,0,0|1,0,1]=4 403 B6R0.3 COC(=O)C(C)C HL1985 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.3 COC(=O)C(C)S RT19716 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.3 COC(=O)[C@@H](C)N JZ1659 [0,2,0,0,0,0|2,0,0]=4 406 B6R0.3 COC(=O)[C@@H](C)O RT0506 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.3 C[C@@H](O)[C@H](N)CO JZ2276 [0,2,0,0,0,0|2,0,0]=4 408 B6R0.3 [C@@H](C)(N)C(=O)OC JZ1603 [0,2,0,0,0,0|2,0,0]=4 409 B6R0.4 C#CCCC(C)C JZ1939 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.4 C=C(C)C#CCC LQ4354 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.4 C=CCCC(C)C JZ2300 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.4 CC(=O)NCCCl JZ3076 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.4 CC(=O)NCCN HL0561 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.4 CC(=O)OCCBr LQ1516 [0,2,0,0,0,0|0,1,1]=4 415 B6R0.4 CC(Br)CCCBr HL0239 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.4 CC(C)=CCCBr HL2172 [0,2,0,0,0,0|1,0,1]=4 417 B6R0.4 CC(C)CCC=O RT0502 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.4 CC(C)CCCBr HL0240 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.4 CC(C)OCCO LQ0441 [0,2,0,0,0,0|0,1,0]=3 420 B6R0.4 CC(N)CCCO RT0123 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.4 CCC#CC(C)O LT2389 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.4 CCCCC(=O)[O-] RT0478 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.4 CCCCC(C)Br HL2516 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.4 CCCCC(N)=O HL0242 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.4 CCCC[Sn](=O)S LQ4511 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.4 CCCNC(C)=O JZ2722 [0,2,0,0,0,0|1,0,1]=4 427 B6R0.4 CCCSC(C)C HL2844 [0,2,0,0,0,0|0,0,0]=2 428 B6R0.4 CCOCC(=O)Cl JZ4848 [0,2,0,0,0,0|0,1,1]=4 429 B6R0.4 CN(C)CCCBr LQ5309 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.4 CN(C)CCCBr YH08472 [0,2,0,0,0,0|2,0,0]=4 431 B6R0.4 CN(C)CCCCl HL0729 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.4 CN(C)CCCCl HL2943 [0,2,0,0,0,0|2,0,0]=4 433 B6R0.4 CN(C)CCCCl LQ0440 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.4 CN(C)CCCN RT1449 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.4 CN(C)CCCO LT2968 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.4 CNCCN(C)C XJ0598 [0,2,0,0,0,0|2,0,0]=4 437 B6R0.4 COCCC(C)O LT2442 [0,2,0,0,0,0|1,0,0]=3 438 B6R0.4 CSCCC(C)=O LT2666 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.5 CC#CC(C)(C)C HL0639 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.5 CC(C)(C)CCBr HL0956 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.5 CC(C)(C)CCO XJ1179 [0,2,0,0,0,0|2,0,0]=4 442 B6R0.5 CC(C)(N)CCO YH01120 [0,2,0,0,0,0|2,0,0]=4 443 B6R0.5 CC(C)(O)CCBr RT0161 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.5 CC(C)(O)CCCl RT0158 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.5 CCCC(C)(C)Cl LQ2678 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.5 CCCC(C)(C)O HL0081 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.5 CCC[N+](C)(C)C RT0535 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.5 CCOC(C)(C)C JZ4054 [0,2,0,0,0,0|0,1,0]=3 449 B6R0.5 CCOS(C)(=O)=O XJ0017 [0,2,0,0,0,0|1,1,0]=4 450 B6R0.5 CCSS(C)(=O)=O RT17802 [0,2,0,0,0,0|1,0,0]=3 451 B6R0.5 CCS[Si](C)(C)C RT1371 [0,2,0,0,0,0|0,1,0]=3 452 B6R0.5 COCC(C)(C)O JZ2366 [0,2,0,0,0,0|2,0,0]=4 453 B6R0.6 BrCCNCCBr RT17682 [0,2,0,0,0,0|1,0,0]=3 454 B6R0.6 BrCCOCCBr HL2958 [0,2,0,0,0,0|0,1,0]=3 455 B6R0.6 C#CCCCCC HL0285 [0,2,0,0,0,0|1,0,0]=3 456 B6R0.6 C#CCCCCO LQ1526 [0,2,0,0,0,0|1,0,1]=4 457 B6R0.6 C#CCOCOC LT2103 [0,2,0,0,0,0|0,1,1]=4 458 B6R0.6 C=CCCCCCl LQ1525 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.6 C=CCSCC=C LT3244 [0,2,0,0,0,0|0,0,2]=4 460 B6R0.6 C=CCSSCC LT5765 [0,2,0,0,0,0|0,0,1]=3 461 B6R0.6 CCCC#CCO XJ1342 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.6 CCCCCC#N HL0286 [0,2,0,0,0,0|1,0,0]=3 463 B6R0.6 CCCCCCCl HL1956 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.6 CCCCCCI JZ4066 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.6 CCCCCCO XJ0385 [0,2,0,0,0,0|1,0,0]=3 466 B6R0.6 CCCCCCS XJ0387 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.6 CCCCCNC LT5645 [0,2,0,0,0,0|1,0,0]=3 468 B6R0.6 CCCCC[Mg]Cl JZ2964 [0,2,0,0,0,0|1,0,0]=3 469 B6R0.6 CCCCN=C=S HL0124 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.6 CCCCOCC HL0289 [0,2,0,0,0,0|0,1,0]=3 471 B6R0.6 CCCCOCCl LT4489 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.6 CCCCSC#N HL0290 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.6 CCCCSCC JZ4067 [0,2,0,0,0,0|0,0,0]=2 474 B6R0.6 CCCNCCC RT1163 [0,2,0,0,0,0|1,0,0]=3 475 B6R0.6 CCCSSCC LT5405 [0,2,0,0,0,0|0,0,0]=2 476 B6R0.6 CCCSSSC JZ1910 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.6 CCC\C=C/CO LQ1528 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.6 CCNCCC#N RT4893 [0,2,0,0,0,0|1,0,0]=3 479 B6R0.6 CCNCCCN HL4191 [0,2,0,0,0,0|1,0,0]=3 480 B6R0.6 CCOCCC#N LQ3792 [0,2,0,0,0,0|0,1,0]=3 481 B6R0.6 CCOCCC#N LT2930 [0,2,0,0,0,0|0,1,0]=3 482 B6R0.6 CCOCCCCl XJ5236 [0,2,0,0,0,0|0,1,0]=3 483 B6R0.6 CCOCCOC LQ2802 [0,2,0,0,0,0|0,1,0]=3 484 B6R0.6 CCSCSCC RT19812 [0,2,0,0,0,0|0,0,0]=2 485 B6R0.6 CCSSSCC JZ2380 [0,2,0,0,0,0|0,0,0]=2 486 B6R0.6 CC\C=C/CCO LT4581 [0,2,0,0,0,0|1,0,0]=3 487 B6R0.6 CC\C=C\CCC HL0123 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.6 CC\C=C\OCC LQ1533 [0,2,0,0,0,0|0,1,0]=3 489 B6R0.6 CNCCCNC XJ0389 [0,2,0,0,0,0|1,0,0]=3 490 B6R0.6 CSCCCSC LQ4459 [0,2,0,0,0,0|1,0,0]=3 491 B6R0.6 C\C=C\CCCO XJ3000 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.6 C\C=C\SCCC YH55419 [0,2,0,0,0,0|0,0,1]=3 493 B6R0.6 ClCCCCCI XJ5888 [0,2,0,0,0,0|1,0,0]=3 494 B6R0.6 ClCCNCCCl LQ1470 [0,2,0,0,0,0|1,0,0]=3 495 B6R0.6 ClCCOCCI YH66175 [0,2,0,0,0,0|0,1,0]=3 496 B6R0.6 ICCCCCI HL0288 [0,2,0,0,0,0|1,0,0]=3 497 B6R0.6 N#CCCCCBr HL2959 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.6 NCCCCCBr RT0436 [0,2,0,0,0,0|1,0,0]=3 499 B6R0.6 NCCCCCN LQ0829 [0,2,0,0,0,0|1,0,0]=3 500 B6R0.6 NCCCCCO HL2296 [0,2,0,0,0,0|1,0,0]=3 501 B6R0.6 NCCNCCN XJ0391 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.6 NCCNCCO JZ0125 [0,2,0,0,0,0|1,0,0]=3 503 B6R0.6 NCCOCCO LQ1534 [0,2,0,0,0,0|0,1,0]=3 504 B6R0.6 O=CCCCCO YH66094 [0,2,0,0,0,0|1,0,1]=4 505 B6R0.6 OCCCCCCl JZ2653 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.6 OCCNCCO LT7673 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.6 OCCOCCCl JZ0962 [0,2,0,0,0,0|0,1,0]=3 508 B6R0.6 OCCSCCO XJ0395 [0,2,0,0,0,0|0,0,0]=2 509 B6R0.6 SCCSCCS JZ2349 [0,2,0,0,0,0|0,0,0]=2 510 B6R0.8 CCC(C)(C)CC LQ1054 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.8 CCP(=O)(Cl)CC XJ1551 [0,2,0,0,0,0|1,0,0]=3 512 B6R0.8 CCS(=O)(=O)CC LQ1119 [0,2,0,0,0,0|0,0,1]=3 513 B6R0.8 CCS(=O)(=O)OC LT2073 [0,2,0,0,0,0|1,0,1]=4 514 B6R0.8 CC[Sn](Cl)(Cl)CC XJ1383 [0,2,0,0,0,0|1,0,0]=3 515 B6R0.9 CCC(CC)CN LQ1208 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.9 CCN(C=O)CC LQ1209 [0,2,0,0,0,0|1,0,0]=3 517 B6R0.9 CCN(CC)CC JZ4026 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.9 CCN(CC)CC XJ1326 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.9 CCN(CC)CC YH28671 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.9 CC[SiH](CC)CC LT6209 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.9 [BH-](CC)(CC)CC YH47632 [0,2,0,0,0,0|1,0,0]=3 522 B4R1.1 C1CNC1 LX2166 [1,0,0,1,0,0|1,0,0]=3 523 B4R1.1 C1CNC1 XJ0867 [1,0,0,1,0,0|1,0,0]=3 524 B4R1.2 BrC1CC1 JZ2471 [1,0,0,1,0,0|1,0,0]=3 525 B4R1.2 CC1=CC1 LQ2353 [1,0,0,1,0,0|0,0,2]=4 526 B4R1.2 CC1CN1 RT4107 [1,0,0,1,0,0|1,0,0]=3 527 B4R1.2 C[C@H]1CO1 XJ4234 [1,0,0,1,0,0|0,1,0]=3 528 B4R1.2 ClC1CC1 XJ1608 [1,0,0,1,0,0|1,0,0]=3 529 B4R1.2 [C@@H]1(C)CO1 YH36802 [1,0,0,1,0,0|0,1,0]=3 530 B6R1.2 BrC1CCCC1 LL0590 [0,1,0,1,0,0|1,0,0]=3 531 B6R1.2 CC1=NCCC1 XJ1415 [0,1,0,1,0,0|1,0,1]=4 532 B6R1.2 CC1=NCCN1 LL0953 [0,1,0,1,0,0|1,0,1]=4 533 B6R1.2 CC1=NCCO1 XJ1609 [0,1,0,1,0,0|0,1,1]=4 534 B6R1.2 CC1CCCC1 LL0238 [0,1,0,1,0,0|1,0,0]=3 535 B6R1.2 CC1CCCN1 XJ1351 [0,1,0,1,0,0|1,0,0]=3 536 B6R1.2 CC1CCCO1 YH65006 [0,1,0,1,0,0|0,1,0]=3 537 B6R1.2 CC1CCCS1 XJ1945 [0,1,0,1,0,0|0,0,0]=2 538 B6R1.2 CC1CCNC1 YH66261 [0,1,0,1,0,0|1,0,0]=3 539 B6R1.2 CC1N=CCS1 LT2114 [0,1,0,1,0,0|0,0,1]=3 540 B6R1.2 CC1SCCS1 JZ2801 [0,1,0,1,0,0|0,0,0]=2 541 B6R1.2 C[C@@H]1CCCN1 JZ0867 [0,1,0,1,0,0|1,0,0]=3 542 B6R1.2 C[C@H]1CCCN1 HL3677 [0,1,0,1,0,0|1,0,0]=3 543 B6R1.2 C[C@H]1CCNC1 YH66267 [0,1,0,1,0,0|1,0,0]=3 544 B6R1.2 ClC1C=CCC1 LL0239 [0,1,0,1,0,0|1,0,1]=4 545 B6R1.2 ClC1CCCC1 LT4693 [0,1,0,1,0,0|1,0,0]=3 546 B6R1.2 NC1=NCCS1 XJ1926 [0,1,0,1,0,0|1,0,1]=4 547 B6R1.2 NC1CC=CC1 YH95418 [0,1,0,1,0,0|1,0,1]=4 548 B6R1.2 NC1CCCC1 LT4694 [0,1,0,1,0,0|1,0,0]=3 549 B6R1.2 NC1CCNC1 LL1803 [0,1,0,1,0,0|1,0,0]=3 550 B6R1.2 NC1CCNC1 YH29002 [0,1,0,1,0,0|1,0,0]=3 551 B6R1.2 N[C@@H]1CCNC1 JZ0225 [0,1,0,1,0,0|1,0,0]=3 552 B6R1.2 N[C@@H]1CCOC1 CJ2199 [0,1,0,1,0,0|0,1,0]=3 553 B6R1.2 N[C@H]1CCNC1 JZ0221 [0,1,0,1,0,0|1,0,0]=3 554 B6R1.2 N[C@H]1CCNC1 LT6128 [0,1,0,1,0,0|1,0,0]=3 555 B6R1.2 N[C@H]1CCOC1 XJ6762 [0,1,0,1,0,0|0,1,0]=3 556 B6R1.2 O=C1CCCN1 RT14155 [0,1,0,1,0,0|1,0,1]=4 557 B6R1.2 O=C1CCCO1 YH98377 [0,1,0,1,0,0|0,1,1]=4 558 B6R1.2 O=C1CCCS1 HL0571 [0,1,0,1,0,0|0,0,1]=3 559 B6R1.2 O=C1CCNC1 HL2616 [0,1,0,1,0,0|1,0,1]=4 560 B6R1.2 O=C1CCNC1 YH98366 [0,1,0,1,0,0|1,0,1]=4 561 B6R1.2 O=C1CCOC1 LQ4327 [0,1,0,1,0,0|0,1,1]=4 562 B6R1.2 O=C1CCSC1 JZ1778 [0,1,0,1,0,0|0,0,1]=3 563 B6R1.2 O=C1NCCS1 XJ2235 [0,1,0,1,0,0|1,0,1]=4 564 B6R1.2 OC1CC=CC1 XJ4083 [0,1,0,1,0,0|1,0,1]=4 565 B6R1.2 OC1CCCO1 RT17572 [0,1,0,1,0,0|0,1,0]=3 566 B6R1.2 OC1CCNC1 HL4806 [0,1,0,1,0,0|1,0,0]=3 567 B6R1.2 OC1CCOC1 XJ0812 [0,1,0,1,0,0|0,1,0]=3 568 B6R1.2 O[C@@H]1CCNC1 HL2373 [0,1,0,1,0,0|1,0,0]=3 569 B6R1.2 O[C@@H]1CCNC1 JZ0855 [0,1,0,1,0,0|1,0,0]=3 570 B6R1.2 O[C@@H]1CCOC1 HL4808 [0,1,0,1,0,0|0,1,0]=3 571 B6R1.2 O[C@@H]1CCSC1 LT5798 [0,1,0,1,0,0|0,0,0]=2 572 B6R1.2 O[C@H]1CCNC1 JZ0222 [0,1,0,1,0,0|1,0,0]=3 573 B6R1.2 O[C@H]1CCNC1 XJ6747 [0,1,0,1,0,0|1,0,0]=3 574 B6R1.2 O[C@H]1CCOC1 HL4807 [0,1,0,1,0,0|0,1,0]=3 575 B6R1.2 O[C@H]1CCSC1 LT5717 [0,1,0,1,0,0|0,0,0]=2 576 B6R1.2 SC1CCCC1 LQ1887 [0,1,0,1,0,0|1,0,0]=3 577 B6R1.2 [Fe]C1CCCC1 HL0728 [0,1,0,1,0,0|1,0,0]=3 578 B6R1.2 [Fe]C1CCCC1 XJ1696 [0,1,0,1,0,0|1,0,0]=3 579 B6R1.3 ICCC1CC1 YH66394 [0,1,0,1,0,0|1,0,0]=3 580 B6R1.3 N#CCC1CC1 YH12245 [0,1,0,1,0,0|1,0,1]=4 581 B6R1.3 NCCN1CC1 YH59500 [0,1,0,1,0,0|1,0,0]=3 582 B6R1.3 NOCC1CC1 YH17345 [0,1,0,1,0,0|2,0,0]=4 583 B6R1.3 OCCN1CC1 JZ4346 [0,1,0,1,0,0|1,0,0]=3 584 B6R1.3 [C@@H]1(COC)CO1 LL1074 [0,1,0,1,0,0|2,0,0]=4 585 B6R1.5 CC1CC(=O)O1 HL2455 [0,1,0,1,0,0|0,1,1]=4 586 B6R1.5 CN1CC(N)C1 YH98280 [0,1,0,1,0,0|2,0,0]=4 587 B6R1.5 NC1CC(F)C1 RT0521 [0,1,0,1,0,0|2,0,0]=4 588 B6R1.5 NC1CC(N)C1 LX3212 [0,1,0,1,0,0|2,0,0]=4 589 B6R1.5 N[C@H]1C[C@@H](O)C1 YH65443 [0,1,0,1,0,0|2,0,0]=4 590 B6R1.8 CC1CC1CO JZ2852 [0,1,0,1,0,0|1,0,0]=3 591 B6R1.10 CC1(C)CNC1 YH93840 [0,1,0,1,0,0|2,0,0]=4 592 B6R1.10 CC1(N)COC1 YH91545 [0,1,0,1,0,0|2,0,0]=4 593 B6R1.11 CC(=O)C1CC1 LT4698 [0,1,0,1,0,0|1,0,1]=4 594 B6R1.11 CC(=O)N1CC1 RT15034 [0,1,0,1,0,0|1,0,1]=4 595 B6R1.11 C[C@H](N)C1CC1 LL2540 [0,1,0,1,0,0|1,0,0]=3 596 B6R1.1 C1=CCCCC1 LL0447 [0,1,0,1,0,0|1,0,0]=3 597 B6R1.1 C1=CCOCC1 RT15029 [0,1,0,1,0,0|0,1,1]=4 598 B6R1.1 C1=COCCC1 JZ1390 [0,1,0,1,0,0|0,1,1]=4 599 B6R1.1 C1CC[NH2+]CC1 HL2776 [0,1,0,1,0,0|1,0,0]=3 600 B6R1.1 C1CNCCN1 JZ0122 [0,1,0,1,0,0|1,0,0]=3 601 B6R1.1 C1CNCCN1 JZ2867 [0,1,0,1,0,0|1,0,0]=3 602 B6R1.1 C1CNCCN1 LQ3756 [0,1,0,1,0,0|1,0,0]=3 603 B6R1.1 C1COCCN1 YH20292 [0,1,0,1,0,0|0,1,0]=3 604 B6R1.1 C1COCCO1 XJ5344 [0,1,0,1,0,0|0,1,0]=3 605 B6R1.1 C1COCCO1 XJ5710 [0,1,0,1,0,0|0,1,0]=3 606 B6R1.1 C1CSCCS1 XJ0886 [0,1,0,1,0,0|0,0,0]=2 607 B6R1.1 C1CSCSC1 XJ0885 [0,1,0,1,0,0|0,0,0]=2 608 B6R1.1 C1OCOCO1 LL0448 [0,1,0,1,0,0|1,1,0]=4 609 B6R1.1 N1CCNCC1 HL1555 [0,1,0,1,0,0|1,0,0]=3 610 B6R1.4 O=C1CCC1Cl RT13553 [0,1,0,1,0,0|2,0,0]=4 611 B6R1.6 BrCC1CCC1 YH39750 [0,1,0,1,0,0|1,0,0]=3 612 B6R1.6 CNC1CNC1 YH49217 [0,1,0,1,0,0|2,0,0]=4 613 B6R1.6 N#CC1CCC1 XJ2664 [0,1,0,1,0,0|1,0,1]=4 614 B6R1.6 NCC1CCC1 JZ2551 [0,1,0,1,0,0|1,0,0]=3 615 B6R1.6 OCC1CCC1 LT4668 [0,1,0,1,0,0|1,0,0]=3 616 B6R1.7 NC1(CO)CC1 LX2522 [0,1,0,1,0,0|2,0,0]=4 617 B6R1.7 NC1(CO)CC1 YH26091 [0,1,0,1,0,0|2,0,0]=4 618 B6R1.7 NCC1(O)CC1 YH16826 [0,1,0,1,0,0|2,0,0]=4