0 B3R0.1 C#CC#N LT4661 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 C#CC=O YH10644 [0,0,0,0,0,0|1,1,2]=4 2 B3R0.1 C#CCCl XJ1172 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.1 C#CCN RT16379 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.1 C#CCN XJ2196 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.1 C#C[Mg]Cl LL1126 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.1 C=C=CC HL0077 [0,0,0,0,0,0|2,0,2]=4 7 B3R0.1 C=CC=C HL1335 [0,0,0,0,0,0|2,0,2]=4 8 B3R0.1 C=CC=C XJ3466 [0,0,0,0,0,0|2,0,2]=4 9 B3R0.1 C=CC=O RT0993 [0,0,0,0,0,0|1,1,2]=4 10 B3R0.1 C=CCBr RT17399 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.1 C=CCC HL1334 [0,0,0,0,0,0|2,0,1]=3 12 B3R0.1 C=CCI LQ1006 [0,0,0,0,0,0|2,0,1]=3 13 B3R0.1 C=CCN XJ6235 [0,0,0,0,0,0|2,0,1]=3 14 B3R0.1 C=CCO LT3384 [0,0,0,0,0,0|1,1,1]=3 15 B3R0.1 C=CCS LT3385 [0,0,0,0,0,0|1,0,1]=2 16 B3R0.1 C=C[Mg]Cl JZ2315 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.1 CCC=S LT2311 [0,0,0,0,0,0|1,0,2]=3 18 B3R0.1 CCCCl XJ0925 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.1 CCON LT7287 [0,0,0,0,0,0|3,0,0]=3 20 B3R0.1 CCSC XJ1178 [0,0,0,0,0,0|3,0,0]=3 21 B3R0.1 CN=C=O XJ1176 [0,0,0,0,0,0|2,1,1]=4 22 B3R0.1 CNOC LT1363 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.1 COCCl RT17912 [0,0,0,0,0,0|3,0,0]=3 24 B3R0.1 CSC#N LQ1008 [0,0,0,0,0,0|3,0,1]=4 25 B3R0.1 CSCCl LQ2158 [0,0,0,0,0,0|3,0,0]=3 26 B3R0.1 C\C=N\O LT3638 [0,0,0,0,0,0|2,1,1]=4 27 B3R0.1 ClCCCl XJ5613 [0,0,0,0,0,0|2,0,0]=2 28 B3R0.1 Cl\C=C\Cl LQ0647 [0,0,0,0,0,0|2,0,2]=4 29 B3R0.1 FCCBr XJ1331 [0,0,0,0,0,0|2,0,0]=2 30 B3R0.1 N#CCI XJ1173 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.1 N#CCN JZ2807 [0,0,0,0,0,0|2,0,1]=3 32 B3R0.1 N#CCN YH65552 [0,0,0,0,0,0|2,0,1]=3 33 B3R0.1 NCCCl XJ1403 [0,0,0,0,0,0|2,0,0]=2 34 B3R0.1 NCCN JZ1006 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.1 NCCN JZ4960 [0,0,0,0,0,0|2,0,0]=2 36 B3R0.1 NCCN LT5412 [0,0,0,0,0,0|2,0,0]=2 37 B3R0.1 NCCN LT7506 [0,0,0,0,0,0|2,0,0]=2 38 B3R0.1 NCCN XJ4257 [0,0,0,0,0,0|2,0,0]=2 39 B3R0.1 NCCO XJ0576 [0,0,0,0,0,0|1,1,0]=2 40 B3R0.1 NCCS LL0054 [0,0,0,0,0,0|1,0,0]=1 41 B3R0.1 NCCS LQ0646 [0,0,0,0,0,0|1,0,0]=1 42 B3R0.1 NNC=O XJ1177 [0,0,0,0,0,0|2,1,1]=4 43 B3R0.1 OCCBr XJ0924 [0,0,0,0,0,0|1,1,0]=2 44 B3R0.1 OCCO LT7654 [0,0,0,0,0,0|0,2,0]=2 45 B3R0.1 [2H]OCC RT1050 [0,0,0,0,0,0|3,0,0]=3 46 B3R0.1 [Li]CCC LQ1980 [0,0,0,0,0,0|2,0,0]=2 47 B3R0.1 [O-]CC[O-] RT16375 [0,0,0,0,0,0|0,2,0]=2 48 B2R0.1 C#C[Na] LQ1600 [1,0,0,0,0,0|1,0,2]=4 49 B2R0.1 C=C=O LQ0834 [1,0,0,0,0,0|0,1,2]=4 50 B2R0.1 C=CCl XJ3453 [1,0,0,0,0,0|1,0,2]=4 51 B2R0.1 C=CI LQ1085 [1,0,0,0,0,0|1,0,2]=4 52 B2R0.1 C=C[CH2-] XJ3675 [1,0,0,0,0,0|1,0,2]=4 53 B2R0.1 CC#N LL1068 [1,0,0,0,0,0|1,0,1]=3 54 B2R0.1 CC#N LQ3779 [1,0,0,0,0,0|1,0,1]=3 55 B2R0.1 CC=O LQ0081 [1,0,0,0,0,0|0,1,1]=3 56 B2R0.1 CCN LQ1083 [1,0,0,0,0,0|1,0,0]=2 57 B2R0.1 CCS LQ0071 [1,0,0,0,0,0|0,0,0]=1 58 B2R0.1 CC[O-] HL0532 [1,0,0,0,0,0|0,1,0]=2 59 B2R0.1 CC[O-] HL2878 [1,0,0,0,0,0|0,1,0]=2 60 B2R0.1 CC[O-] HL4901 [1,0,0,0,0,0|0,1,0]=2 61 B2R0.1 CC[O-] JZ1966 [1,0,0,0,0,0|0,1,0]=2 62 B2R0.1 CC[O-] JZ2286 [1,0,0,0,0,0|0,1,0]=2 63 B2R0.1 CC[O-] JZ4882 [1,0,0,0,0,0|0,1,0]=2 64 B2R0.1 CC[O-] XJ5943 [1,0,0,0,0,0|0,1,0]=2 65 B2R0.1 CSC JZ3723 [1,0,0,0,0,0|2,0,0]=3 66 B2R0.1 C[Hg]O LQ1729 [1,0,0,0,0,0|1,1,0]=3 67 B2R0.1 C[N-]C JZ2361 [1,0,0,0,0,0|2,0,0]=3 68 B2R0.1 C[Se]C LQ1086 [1,0,0,0,0,0|2,0,0]=3 69 B2R0.1 C[SiH2]Cl XJ1512 [1,0,0,0,0,0|1,1,0]=3 70 B2R0.1 ClCBr RT13506 [1,0,0,0,0,0|2,0,0]=3 71 B2R0.1 Cl[Pt]Cl YH20296 [1,0,0,0,0,0|3,0,0]=4 72 B2R0.1 FCI RT17533 [1,0,0,0,0,0|2,0,0]=3 73 B2R0.1 N#CBr RT17557 [1,0,0,0,0,0|2,0,1]=4 74 B2R0.1 N#C[O-] HL0078 [1,0,0,0,0,0|1,1,1]=4 75 B2R0.1 N#C[S-] HL0127 [1,0,0,0,0,0|1,0,2]=4 76 B2R0.1 N#C[S-] LQ2029 [1,0,0,0,0,0|1,0,2]=4 77 B2R0.1 N#C[S-] XJ1896 [1,0,0,0,0,0|1,0,2]=4 78 B2R0.1 NCN XJ5787 [1,0,0,0,0,0|2,0,0]=3 79 B2R0.1 O=C=O HL1493 [1,0,0,0,0,0|0,2,1]=4 80 B2R0.1 O=CO JZ5436 [1,0,0,0,0,0|0,2,1]=4 81 B2R0.1 O=C[O-] HL2500 [1,0,0,0,0,0|0,2,1]=4 82 B2R0.1 O=C[O-] LQ1036 [1,0,0,0,0,0|0,2,1]=4 83 B2R0.1 O=C[O-] LQ1425 [1,0,0,0,0,0|0,2,1]=4 84 B2R0.1 O=C[O-] LQ2986 [1,0,0,0,0,0|0,2,1]=4 85 B2R0.1 O=C[O-] XJ2402 [1,0,0,0,0,0|0,2,1]=4 86 B2R0.1 O=C[O-] XJ3084 [1,0,0,0,0,0|0,2,1]=4 87 B2R0.1 O=[15N][O-] RT1049 [1,0,0,0,0,0|1,2,0]=4 88 B2R0.1 O=[Pt]=O RT17671 [1,0,0,0,0,0|1,2,0]=4 89 B2R0.1 [18O]=N[18O-] RT1046 [1,0,0,0,0,0|1,2,0]=4 90 B2R0.1 [BH3-]C#N RT17507 [1,0,0,0,0,0|2,0,1]=4 91 B2R0.1 [N-]=[N+]=[N-] RT0489 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.1 BrCC(Br)Br LL0122 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.1 C#CC(C)O JZ2135 [0,1,0,0,0,0|1,1,1]=4 94 B4R0.1 C#C[C@H](C)N RT3964 [0,1,0,0,0,0|2,0,1]=4 95 B4R0.1 C=C(Br)CC LQ4356 [0,1,0,0,0,0|2,0,1]=4 96 B4R0.1 C=C(C)CC LQ1059 [0,1,0,0,0,0|2,0,1]=4 97 B4R0.1 C=CC(C)Cl LQ1061 [0,1,0,0,0,0|2,0,1]=4 98 B4R0.1 CC(=O)CBr LQ1137 [0,1,0,0,0,0|1,1,1]=4 99 B4R0.1 CC(=O)CN LX3064 [0,1,0,0,0,0|1,1,1]=4 100 B4R0.1 CC(Br)CBr LL0123 [0,1,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(Br)CCl XJ2375 [0,1,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(C)CI HL1913 [0,1,0,0,0,0|2,0,0]=3 103 B4R0.1 CC(C)CS HL1915 [0,1,0,0,0,0|1,0,0]=2 104 B4R0.1 CC(C)NN LQ3967 [0,1,0,0,0,0|3,0,0]=4 105 B4R0.1 CC(C)NO LT5054 [0,1,0,0,0,0|2,1,0]=4 106 B4R0.1 CC(N)C#N LT6014 [0,1,0,0,0,0|2,0,1]=4 107 B4R0.1 CC(N)CN YH43801 [0,1,0,0,0,0|2,0,0]=3 108 B4R0.1 CC(N)CO JZ1400 [0,1,0,0,0,0|1,1,0]=3 109 B4R0.1 CC(O)CF YH01374 [0,1,0,0,0,0|1,1,0]=3 110 B4R0.1 CCB(O)O XJ2684 [0,1,0,0,0,0|2,1,0]=4 111 B4R0.1 CCC(=O)Cl YH19012 [0,1,0,0,0,0|1,1,1]=4 112 B4R0.1 CCC(=O)[O-] HL1636 [0,1,0,0,0,0|1,1,1]=4 113 B4R0.1 CCC(=O)[O-] LQ1030 [0,1,0,0,0,0|1,1,1]=4 114 B4R0.1 CCC(C)I LT2185 [0,1,0,0,0,0|2,0,0]=3 115 B4R0.1 CC[C@@H](C)N JZ3698 [0,1,0,0,0,0|2,0,0]=3 116 B4R0.1 COC(C)C RT17590 [0,1,0,0,0,0|3,0,0]=4 117 B4R0.1 COC(Cl)Cl XJ2773 [0,1,0,0,0,0|3,0,0]=4 118 B4R0.1 CSC(C)C LT4098 [0,1,0,0,0,0|3,0,0]=4 119 B4R0.1 C[C@@H](N)CN YH65431 [0,1,0,0,0,0|2,0,0]=3 120 B4R0.1 C[C@@H](O)CN LT7643 [0,1,0,0,0,0|1,1,0]=3 121 B4R0.1 C[C@H](Cl)CO JZ5320 [0,1,0,0,0,0|1,1,0]=3 122 B4R0.1 C[C@H](Cl)CO XJ5311 [0,1,0,0,0,0|1,1,0]=3 123 B4R0.1 C[C@H](N)CO HL2372 [0,1,0,0,0,0|1,1,0]=3 124 B4R0.1 C[C@H](N)CO LT7580 [0,1,0,0,0,0|1,1,0]=3 125 B4R0.1 C[C@H](O)CCl JZ5302 [0,1,0,0,0,0|1,1,0]=3 126 B4R0.1 ClCC(Cl)Cl LL0136 [0,1,0,0,0,0|2,0,0]=3 127 B4R0.1 N#CC(Br)Br XJ2403 [0,1,0,0,0,0|2,0,1]=4 128 B4R0.1 N#CC(Cl)Cl XJ2376 [0,1,0,0,0,0|2,0,1]=4 129 B4R0.1 N#CC(I)I RT0733 [0,1,0,0,0,0|2,0,1]=4 130 B4R0.1 N=C(O)CO LQ1140 [0,1,0,0,0,0|0,2,1]=4 131 B4R0.1 NC(=O)CCl RT4709 [0,1,0,0,0,0|1,1,1]=4 132 B4R0.1 NCC(=O)O JZ0518 [0,1,0,0,0,0|1,1,1]=4 133 B4R0.1 NCC(=O)O LQ3009 [0,1,0,0,0,0|1,1,1]=4 134 B4R0.1 NCC(=O)[O-] JZ1232 [0,1,0,0,0,0|1,1,1]=4 135 B4R0.1 NCC(=O)[O-] JZ1274 [0,1,0,0,0,0|1,1,1]=4 136 B4R0.1 NCC(=O)[O-] JZ1346 [0,1,0,0,0,0|1,1,1]=4 137 B4R0.1 NCC(=O)[O-] JZ1545 [0,1,0,0,0,0|1,1,1]=4 138 B4R0.1 NCC(=O)[O-] JZ1650 [0,1,0,0,0,0|1,1,1]=4 139 B4R0.1 NCC(N)=O HL0991 [0,1,0,0,0,0|1,1,1]=4 140 B4R0.1 NCC(N)=O LQ1139 [0,1,0,0,0,0|1,1,1]=4 141 B4R0.1 O=C(O)CBr LL0143 [0,1,0,0,0,0|1,1,1]=4 142 B4R0.1 O=C(O)CF LT5771 [0,1,0,0,0,0|1,1,1]=4 143 B4R0.1 O=C([O-])CCl LQ2589 [0,1,0,0,0,0|1,1,1]=4 144 B4R0.1 O=C([O-])CO LQ2283 [0,1,0,0,0,0|0,2,1]=4 145 B4R0.1 O=C([O-])CO XJ5448 [0,1,0,0,0,0|0,2,1]=4 146 B4R0.1 O=C([O-])CS HL2967 [0,1,0,0,0,0|0,1,1]=3 147 B4R0.1 O=C([O-])CS LQ1436 [0,1,0,0,0,0|0,1,1]=3 148 B4R0.1 O=C([O-])CS XJ0675 [0,1,0,0,0,0|0,1,1]=3 149 B4R0.1 O=C([O-])CS XJ6033 [0,1,0,0,0,0|0,1,1]=3 150 B4R0.1 O=CC(Cl)Br RT17654 [0,1,0,0,0,0|1,1,1]=4 151 B4R0.1 O=CC(Cl)Cl RT1083 [0,1,0,0,0,0|1,1,1]=4 152 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,1,0,0,0,0|2,1,0]=4 153 B4R0.1 O=[N+]([O-])CCl RT1188 [0,1,0,0,0,0|2,1,0]=4 154 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,1,0,0,0,0|0,2,0]=3 155 B4R0.2 C#CCCC HL0250 [0,1,0,0,0,0|2,0,0]=3 156 B4R0.2 C#CCCO LT6746 [0,1,0,0,0,0|1,1,0]=3 157 B4R0.2 C#CCNC RT0490 [0,1,0,0,0,0|2,0,1]=4 158 B4R0.2 C=CCC=C HL0109 [0,1,0,0,0,0|2,0,1]=4 159 B4R0.2 C=CCCBr LQ2822 [0,1,0,0,0,0|2,0,0]=3 160 B4R0.2 C=CCCN LQ2198 [0,1,0,0,0,0|2,0,0]=3 161 B4R0.2 C=CCOC HL0257 [0,1,0,0,0,0|1,1,1]=4 162 B4R0.2 CC#CCO XJ1336 [0,1,0,0,0,0|1,1,1]=4 163 B4R0.2 CCCCN LQ2553 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.2 CCCCS LL0387 [0,1,0,0,0,0|1,0,0]=2 165 B4R0.2 CCCC[O-] HL2476 [0,1,0,0,0,0|1,1,0]=3 166 B4R0.2 CCCC[O-] LQ4485 [0,1,0,0,0,0|1,1,0]=3 167 B4R0.2 CCC[Mg]Br LQ1517 [0,1,0,0,0,0|2,0,0]=3 168 B4R0.2 CCC[Mg]Cl XJ2093 [0,1,0,0,0,0|2,0,0]=3 169 B4R0.2 CCC[Zn-]Br HL3580 [0,1,0,0,0,0|2,0,0]=3 170 B4R0.2 CCOC=N LQ3955 [0,1,0,0,0,0|2,0,1]=4 171 B4R0.2 CCOC=O LL0396 [0,1,0,0,0,0|1,1,1]=4 172 B4R0.2 CCOCC LL1197 [0,1,0,0,0,0|2,0,0]=3 173 B4R0.2 CCOCC XJ5008 [0,1,0,0,0,0|2,0,0]=3 174 B4R0.2 CCSC#N XJ0959 [0,1,0,0,0,0|2,0,1]=4 175 B4R0.2 CCSSC LQ4240 [0,1,0,0,0,0|2,0,0]=3 176 B4R0.2 CC[AlH3+]CC LL0219 [0,1,0,0,0,0|2,0,0]=3 177 B4R0.2 CC[N-]CC RT4825 [0,1,0,0,0,0|2,0,0]=3 178 B4R0.2 CC[NH2+]CC XJ6105 [0,1,0,0,0,0|2,0,0]=3 179 B4R0.2 CC[Se]CC RT0534 [0,1,0,0,0,0|2,0,0]=3 180 B4R0.2 CNCCCl RT4724 [0,1,0,0,0,0|2,0,0]=3 181 B4R0.2 CNCCCl YH54353 [0,1,0,0,0,0|2,0,0]=3 182 B4R0.2 CNCCN LL0389 [0,1,0,0,0,0|2,0,0]=3 183 B4R0.2 COCC#N JZ4756 [0,1,0,0,0,0|1,1,1]=4 184 B4R0.2 COCCN LL0392 [0,1,0,0,0,0|1,1,0]=3 185 B4R0.2 COCCO XJ3502 [0,1,0,0,0,0|0,2,0]=3 186 B4R0.2 CSCC=O JZ5555 [0,1,0,0,0,0|0,1,1]=3 187 B4R0.2 CSCCO JZ2661 [0,1,0,0,0,0|0,1,0]=2 188 B4R0.2 CSSSC LT5322 [0,1,0,0,0,0|3,0,0]=4 189 B4R0.2 C\C=C/CO YH00287 [0,1,0,0,0,0|1,1,1]=4 190 B4R0.2 C\C=C\CC XJ1213 [0,1,0,0,0,0|2,0,1]=4 191 B4R0.2 C\C=C\CCl HL0110 [0,1,0,0,0,0|2,0,1]=4 192 B4R0.2 C\C=C\CN YH07653 [0,1,0,0,0,0|2,0,1]=4 193 B4R0.2 ClCCCI JZ3062 [0,1,0,0,0,0|2,0,0]=3 194 B4R0.2 Cl\C=C\CCl XJ0956 [0,1,0,0,0,0|2,0,1]=4 195 B4R0.2 FCCCBr SY0223 [0,1,0,0,0,0|2,0,0]=3 196 B4R0.2 N#CCCBr JZ2023 [0,1,0,0,0,0|2,0,0]=3 197 B4R0.2 N#CCCO RT1105 [0,1,0,0,0,0|1,1,0]=3 198 B4R0.2 N#CSCCl XJ2419 [0,1,0,0,0,0|2,0,1]=4 199 B4R0.2 NCCCBr HL2839 [0,1,0,0,0,0|2,0,0]=3 200 B4R0.2 NCCCCl LT6768 [0,1,0,0,0,0|2,0,0]=3 201 B4R0.2 NCCON RT0317 [0,1,0,0,0,0|1,1,0]=3 202 B4R0.2 NNCCO LT2306 [0,1,0,0,0,0|1,1,0]=3 203 B4R0.2 OCCCBr HL0249 [0,1,0,0,0,0|1,1,0]=3 204 B4R0.2 OCCCI HL0254 [0,1,0,0,0,0|1,1,0]=3 205 B4R0.2 OCCCO XJ0879 [0,1,0,0,0,0|0,2,0]=3 206 B4R0.2 SCCCS LL0388 [0,1,0,0,0,0|0,0,0]=1 207 B4R1.1 C1CNC1 LX2166 [0,0,0,1,0,0|2,0,0]=3 208 B4R1.1 C1CNC1 XJ0867 [0,0,0,1,0,0|2,0,0]=3 209 B4R1.2 BrC1CC1 JZ2471 [0,0,0,1,0,0|2,0,0]=3 210 B4R1.2 CC1=CC1 LQ2353 [0,0,0,1,0,0|2,0,1]=4 211 B4R1.2 CC1CN1 RT4107 [0,0,0,1,0,0|2,0,0]=3 212 B4R1.2 C[C@H]1CO1 XJ4234 [0,0,0,1,0,0|1,1,0]=3 213 B4R1.2 ClC1CC1 XJ1608 [0,0,0,1,0,0|2,0,0]=3 214 B4R1.2 [C@@H]1(C)CO1 YH36802 [0,0,0,1,0,0|1,1,0]=3 215 B1R0.1 C#[O+] LQ4581 [2,0,0,0,0,0|0,1,1]=4 216 B1R0.1 C=C LQ3489 [2,0,0,0,0,0|0,0,2]=4 217 B1R0.1 C=C XJ3674 [2,0,0,0,0,0|0,0,2]=4 218 B1R0.1 C=O LQ3496 [2,0,0,0,0,0|0,1,1]=4 219 B1R0.1 C=O XJ5274 [2,0,0,0,0,0|0,1,1]=4 220 B1R0.1 CC RT18521 [2,0,0,0,0,0|0,0,0]=2 221 B1R0.1 C[O-] JZ4928 [2,0,0,0,0,0|0,1,0]=3 222 B1R0.1 C[O-] LQ2241 [2,0,0,0,0,0|0,1,0]=3 223 B1R0.1 C[O-] XJ1374 [2,0,0,0,0,0|0,1,0]=3 224 B1R0.1 C[O-] XJ1510 [2,0,0,0,0,0|0,1,0]=3 225 B1R0.1 C[O-] XJ3898 [2,0,0,0,0,0|0,1,0]=3 226 B1R0.1 Cl[Re] JZ4861 [2,0,0,0,0,0|2,0,0]=4 227 B1R0.1 O=O XJ3353 [2,0,0,0,0,0|0,2,0]=4 228 B1R0.1 [AlH3]#P LT3685 [2,0,0,0,0,0|2,0,0]=4 229 B1R0.1 [C-2]#C XJ5562 [2,0,0,0,0,0|0,0,2]=4 230 B1R0.1 [C-]#N HL0111 [2,0,0,0,0,0|1,0,1]=4 231 B1R0.1 [C-]#N JZ4995 [2,0,0,0,0,0|1,0,1]=4 232 B1R0.1 [C-]#N JZ5157 [2,0,0,0,0,0|1,0,1]=4 233 B1R0.1 [C-]#N LQ1026 [2,0,0,0,0,0|1,0,1]=4 234 B1R0.1 [C-]#N LQ1028 [2,0,0,0,0,0|1,0,1]=4 235 B1R0.1 [C-]#N XJ2023 [2,0,0,0,0,0|1,0,1]=4 236 B1R0.1 [C-]#N XJ3974 [2,0,0,0,0,0|1,0,1]=4 237 B1R0.1 [C-]#N XJ4013 [2,0,0,0,0,0|1,0,1]=4 238 B1R0.1 [C-]#N XJ4594 [2,0,0,0,0,0|1,0,1]=4 239 B1R0.1 [C-]#N YH06419 [2,0,0,0,0,0|1,0,1]=4 240 B1R0.1 [C-]#[Cr] LT4539 [2,0,0,0,0,0|1,0,1]=4 241 B1R0.1 [C-]#[O+] JZ3492 [2,0,0,0,0,0|0,1,1]=4 242 B1R0.1 [C-]#[O+] JZ4829 [2,0,0,0,0,0|0,1,1]=4 243 B1R0.1 [C-]#[O+] JZ4857 [2,0,0,0,0,0|0,1,1]=4 244 B1R0.1 [C-]#[O+] JZ5201 [2,0,0,0,0,0|0,1,1]=4 245 B1R0.1 [C-]#[O+] LQ3701 [2,0,0,0,0,0|0,1,1]=4 246 B1R0.1 [C-]#[O+] LQ3892 [2,0,0,0,0,0|0,1,1]=4 247 B1R0.1 [C-]#[O+] XJ3546 [2,0,0,0,0,0|0,1,1]=4 248 B1R0.1 [C-]#[O+] XJ4059 [2,0,0,0,0,0|0,1,1]=4 249 B1R0.1 [CH-]=O LQ4060 [2,0,0,0,0,0|0,1,1]=4 250 B3R0.2 BrC(Br)I RT13513 [1,1,0,0,0,0|2,0,0]=4 251 B3R0.2 C(F)(Br)Br HL2045 [1,1,0,0,0,0|2,0,0]=4 252 B3R0.2 C=C(C)C HL1444 [1,1,0,0,0,0|1,0,1]=4 253 B3R0.2 C=C(C)Cl LQ1041 [1,1,0,0,0,0|1,0,1]=4 254 B3R0.2 C=[N+](C)C LQ4806 [1,1,0,0,0,0|2,0,0]=4 255 B3R0.2 CB(C)Br LQ2820 [1,1,0,0,0,0|2,0,0]=4 256 B3R0.2 CC(=N)N RT17426 [1,1,0,0,0,0|1,0,1]=4 257 B3R0.2 CC(=O)F LQ1042 [1,1,0,0,0,0|0,1,1]=4 258 B3R0.2 CC(=O)O JZ3704 [1,1,0,0,0,0|0,1,1]=4 259 B3R0.2 CC(=O)O XJ0034 [1,1,0,0,0,0|0,1,1]=4 260 B3R0.2 CC(=O)[O-] HL0535 [1,1,0,0,0,0|0,1,1]=4 261 B3R0.2 CC(=O)[O-] HL1089 [1,1,0,0,0,0|0,1,1]=4 262 B3R0.2 CC(=O)[O-] HL1536 [1,1,0,0,0,0|0,1,1]=4 263 B3R0.2 CC(=O)[O-] HL1556 [1,1,0,0,0,0|0,1,1]=4 264 B3R0.2 CC(=O)[O-] HL1980 [1,1,0,0,0,0|0,1,1]=4 265 B3R0.2 CC(=O)[O-] JZ2733 [1,1,0,0,0,0|0,1,1]=4 266 B3R0.2 CC(=O)[O-] JZ3035 [1,1,0,0,0,0|0,1,1]=4 267 B3R0.2 CC(=O)[O-] JZ4063 [1,1,0,0,0,0|0,1,1]=4 268 B3R0.2 CC(=O)[O-] JZ4064 [1,1,0,0,0,0|0,1,1]=4 269 B3R0.2 CC(=O)[O-] JZ5083 [1,1,0,0,0,0|0,1,1]=4 270 B3R0.2 CC(=O)[O-] JZ5622 [1,1,0,0,0,0|0,1,1]=4 271 B3R0.2 CC(=O)[O-] LL2757 [1,1,0,0,0,0|0,1,1]=4 272 B3R0.2 CC(=O)[O-] LQ1063 [1,1,0,0,0,0|0,1,1]=4 273 B3R0.2 CC(=O)[O-] LQ1064 [1,1,0,0,0,0|0,1,1]=4 274 B3R0.2 CC(=O)[O-] LQ1143 [1,1,0,0,0,0|0,1,1]=4 275 B3R0.2 CC(=O)[O-] LQ1294 [1,1,0,0,0,0|0,1,1]=4 276 B3R0.2 CC(=O)[O-] LQ1601 [1,1,0,0,0,0|0,1,1]=4 277 B3R0.2 CC(=O)[O-] LQ2985 [1,1,0,0,0,0|0,1,1]=4 278 B3R0.2 CC(=O)[O-] LQ3945 [1,1,0,0,0,0|0,1,1]=4 279 B3R0.2 CC(=O)[O-] LQ4020 [1,1,0,0,0,0|0,1,1]=4 280 B3R0.2 CC(=O)[O-] LQ5168 [1,1,0,0,0,0|0,1,1]=4 281 B3R0.2 CC(=O)[O-] LT7507 [1,1,0,0,0,0|0,1,1]=4 282 B3R0.2 CC(=O)[O-] LT7843 [1,1,0,0,0,0|0,1,1]=4 283 B3R0.2 CC(=O)[O-] XJ0536 [1,1,0,0,0,0|0,1,1]=4 284 B3R0.2 CC(=O)[O-] XJ0713 [1,1,0,0,0,0|0,1,1]=4 285 B3R0.2 CC(=O)[O-] XJ0970 [1,1,0,0,0,0|0,1,1]=4 286 B3R0.2 CC(=O)[O-] XJ2980 [1,1,0,0,0,0|0,1,1]=4 287 B3R0.2 CC(=O)[O-] YH65813 [1,1,0,0,0,0|0,1,1]=4 288 B3R0.2 CC(C)I LQ0090 [1,1,0,0,0,0|1,0,0]=3 289 B3R0.2 CC(C)S LQ0091 [1,1,0,0,0,0|0,0,0]=2 290 B3R0.2 CC(C)[O-] JZ4937 [1,1,0,0,0,0|0,1,0]=3 291 B3R0.2 CC(C)[O-] JZ5329 [1,1,0,0,0,0|0,1,0]=3 292 B3R0.2 CC(C)[O-] JZ5330 [1,1,0,0,0,0|0,1,0]=3 293 B3R0.2 CC(C)[O-] JZ5591 [1,1,0,0,0,0|0,1,0]=3 294 B3R0.2 CC(C)[O-] LL1978 [1,1,0,0,0,0|0,1,0]=3 295 B3R0.2 CC(C)[O-] LQ3154 [1,1,0,0,0,0|0,1,0]=3 296 B3R0.2 CC(C)[O-] LQ3155 [1,1,0,0,0,0|0,1,0]=3 297 B3R0.2 CC(C)[O-] LQ3188 [1,1,0,0,0,0|0,1,0]=3 298 B3R0.2 CC(C)[O-] LQ4092 [1,1,0,0,0,0|0,1,0]=3 299 B3R0.2 CC(C)[O-] XJ2702 [1,1,0,0,0,0|0,1,0]=3 300 B3R0.2 CC(C)[O-] XJ6011 [1,1,0,0,0,0|0,1,0]=3 301 B3R0.2 CC(Cl)Br LQ1089 [1,1,0,0,0,0|1,0,0]=3 302 B3R0.2 CC(Cl)Cl HL0746 [1,1,0,0,0,0|1,0,0]=3 303 B3R0.2 CC(Cl)Cl RT17620 [1,1,0,0,0,0|1,0,0]=3 304 B3R0.2 CC(F)F LQ0094 [1,1,0,0,0,0|1,0,0]=3 305 B3R0.2 CN(C)C JZ2219 [1,1,0,0,0,0|2,0,0]=4 306 B3R0.2 CP(C)C LL1775 [1,1,0,0,0,0|2,0,0]=4 307 B3R0.2 CS(C)=O XJ0069 [1,1,0,0,0,0|1,1,0]=4 308 B3R0.2 C[As](C)I RT5919 [1,1,0,0,0,0|2,0,0]=4 309 B3R0.2 C[As](I)I RT16135 [1,1,0,0,0,0|2,0,0]=4 310 B3R0.2 C[S+](C)C HL2475 [1,1,0,0,0,0|2,0,0]=4 311 B3R0.2 C[S+](C)C JZ1912 [1,1,0,0,0,0|2,0,0]=4 312 B3R0.2 C[SiH](C)C XJ1513 [1,1,0,0,0,0|1,1,0]=4 313 B3R0.2 C[Sn](C)=O HL2174 [1,1,0,0,0,0|1,1,0]=4 314 B3R0.2 ClC(Br)Br RT17718 [1,1,0,0,0,0|2,0,0]=4 315 B3R0.2 ClC(Br)I RT13512 [1,1,0,0,0,0|2,0,0]=4 316 B3R0.2 ClC(Cl)Br RT17719 [1,1,0,0,0,0|2,0,0]=4 317 B3R0.2 ClC(Cl)Cl XJ0068 [1,1,0,0,0,0|2,0,0]=4 318 B3R0.2 ClC(Cl)I RT13514 [1,1,0,0,0,0|2,0,0]=4 319 B3R0.2 ClC(I)I RT13516 [1,1,0,0,0,0|2,0,0]=4 320 B3R0.2 IC(I)I RT1156 [1,1,0,0,0,0|2,0,0]=4 321 B3R0.2 [13CH3][13C](N)=O RT4752 [1,1,0,0,0,0|0,1,1]=4 322 B5R0.1 BrCCC(Br)Br YH44143 [0,2,0,0,0,0|2,0,0]=4 323 B5R0.1 C#CCC(C)O LQ2032 [0,2,0,0,0,0|1,1,0]=4 324 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,2,0,0,0,0|1,1,0]=4 325 B5R0.1 C=CCC(C)C LQ1324 [0,2,0,0,0,0|2,0,0]=4 326 B5R0.1 C=CCC(C)O XJ1184 [0,2,0,0,0,0|1,1,0]=4 327 B5R0.1 CC(=O)CCS XJ5155 [0,2,0,0,0,0|0,1,0]=3 328 B5R0.1 CC(Br)CCBr HL1367 [0,2,0,0,0,0|2,0,0]=4 329 B5R0.1 CC(C)CC#N XJ1183 [0,2,0,0,0,0|2,0,0]=4 330 B5R0.1 CC(C)CCCl HL1371 [0,2,0,0,0,0|2,0,0]=4 331 B5R0.1 CC(C)CCI XJ0935 [0,2,0,0,0,0|2,0,0]=4 332 B5R0.1 CC(O)CC=O HL1375 [0,2,0,0,0,0|0,2,0]=4 333 B5R0.1 CCCC(=O)[O-] XJ2982 [0,2,0,0,0,0|1,1,0]=4 334 B5R0.1 CCCC(C)C HL1370 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.1 CCCC(C)C HL4500 [0,2,0,0,0,0|2,0,0]=4 336 B5R0.1 CCCC(N)=O XJ0937 [0,2,0,0,0,0|1,1,0]=4 337 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,2,0,0,0,0|2,0,0]=4 338 B5R0.1 CCC[C@H](C)O LQ4668 [0,2,0,0,0,0|1,1,0]=4 339 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,2,0,0,0,0|1,1,0]=4 340 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,2,0,0,0,0|1,1,0]=4 341 B5R0.1 CN(C)CCCl HL2802 [0,2,0,0,0,0|2,0,0]=4 342 B5R0.1 CN(C)CCN HL1382 [0,2,0,0,0,0|2,0,0]=4 343 B5R0.1 CN(C)CCO HL1383 [0,2,0,0,0,0|1,1,0]=4 344 B5R0.1 CN(C)CCS LT4952 [0,2,0,0,0,0|1,0,0]=3 345 B5R0.1 COCC(C)N XJ5266 [0,2,0,0,0,0|1,1,0]=4 346 B5R0.1 COC[C@H](C)N XJ6713 [0,2,0,0,0,0|1,1,0]=4 347 B5R0.1 CSCC(=N)N YH65419 [0,2,0,0,0,0|1,0,1]=4 348 B5R0.1 CSCC(=O)O XJ2185 [0,2,0,0,0,0|0,1,1]=4 349 B5R0.1 C[C@@H](N)CC#N YH66415 [0,2,0,0,0,0|2,0,0]=4 350 B5R0.1 C[C@@H](N)CCO RT0497 [0,2,0,0,0,0|1,1,0]=4 351 B5R0.1 C[C@@H](O)CCO SY0267 [0,2,0,0,0,0|0,2,0]=4 352 B5R0.1 C[C@H](N)CC#N YH66374 [0,2,0,0,0,0|2,0,0]=4 353 B5R0.1 NC(=O)CCO RT17509 [0,2,0,0,0,0|0,2,0]=4 354 B5R0.1 NCCC(=O)O JZ0318 [0,2,0,0,0,0|1,1,0]=4 355 B5R0.1 O=C(Cl)CCCl JZ0826 [0,2,0,0,0,0|1,1,0]=4 356 B5R0.1 O=C(O)CCBr HL0088 [0,2,0,0,0,0|1,1,0]=4 357 B5R0.1 O=C(O)CCS SY0092 [0,2,0,0,0,0|0,1,0]=3 358 B5R0.1 O=C([O-])CCO RT1268 [0,2,0,0,0,0|0,2,0]=4 359 B5R0.3 BrCC(Br)CBr LL0220 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.3 C#CC(O)CC HL2704 [0,2,0,0,0,0|1,1,0]=4 361 B5R0.3 C=C(CC)CC XJ1324 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.3 C=CC(C)CC XJ1323 [0,2,0,0,0,0|2,0,0]=4 363 B5R0.3 C=CC(O)CO RT18762 [0,2,0,0,0,0|0,2,0]=4 364 B5R0.3 C=C[C@@H](N)CO YH53874 [0,2,0,0,0,0|1,1,0]=4 365 B5R0.3 C=C[C@H](N)CO LX2169 [0,2,0,0,0,0|1,1,0]=4 366 B5R0.3 CC(CO)CO JZ1881 [0,2,0,0,0,0|0,2,0]=4 367 B5R0.3 CCC(Br)CC XJ1961 [0,2,0,0,0,0|2,0,0]=4 368 B5R0.3 CCC(C)C=O LL0224 [0,2,0,0,0,0|1,1,0]=4 369 B5R0.3 CCC(C)CBr LQ2987 [0,2,0,0,0,0|2,0,0]=4 370 B5R0.3 CCC(C)CBr LQ3410 [0,2,0,0,0,0|2,0,0]=4 371 B5R0.3 CCC(C)CC LL0223 [0,2,0,0,0,0|2,0,0]=4 372 B5R0.3 CCC(C)CCl LQ1182 [0,2,0,0,0,0|2,0,0]=4 373 B5R0.3 CCC(C)CO LL0587 [0,2,0,0,0,0|1,1,0]=4 374 B5R0.3 CCC(C)NC LQ3344 [0,2,0,0,0,0|2,0,0]=4 375 B5R0.3 CCC(Cl)CCl LQ1184 [0,2,0,0,0,0|2,0,0]=4 376 B5R0.3 CCC(N)CC LQ1186 [0,2,0,0,0,0|2,0,0]=4 377 B5R0.3 CCC(N)CO LL0227 [0,2,0,0,0,0|1,1,0]=4 378 B5R0.3 CCC(S)CS XJ4247 [0,2,0,0,0,0|0,0,0]=2 379 B5R0.3 CCN(C)CC LQ1190 [0,2,0,0,0,0|2,0,0]=4 380 B5R0.3 CCN(O)CC HL2577 [0,2,0,0,0,0|2,0,0]=4 381 B5R0.3 CC[C@@H](C)CO LQ1183 [0,2,0,0,0,0|1,1,0]=4 382 B5R0.3 CC[C@@H](O)CO LQ5013 [0,2,0,0,0,0|0,2,0]=4 383 B5R0.3 CC[C@H](C)CBr LL0949 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.3 CC[C@H](O)CO HL4502 [0,2,0,0,0,0|0,2,0]=4 385 B5R0.3 N#CC(Br)CBr HL2792 [0,2,0,0,0,0|2,0,0]=4 386 B5R0.3 NC(CO)CO LL1303 [0,2,0,0,0,0|0,2,0]=4 387 B5R0.3 NCC(O)CN LQ1188 [0,2,0,0,0,0|1,1,0]=4 388 B5R0.3 NCC(O)CO JZ0486 [0,2,0,0,0,0|0,2,0]=4 389 B5R0.3 NC[C@H](O)CO YH09994 [0,2,0,0,0,0|0,2,0]=4 390 B5R0.3 NC[C@H](O)CO YH45696 [0,2,0,0,0,0|0,2,0]=4 391 B5R0.3 O=C(CBr)CBr LQ1454 [0,2,0,0,0,0|2,0,0]=4 392 B5R0.3 O=C(CF)CF CJ2432 [0,2,0,0,0,0|2,0,0]=4 393 B5R0.3 O=C(CI)CI RT0766 [0,2,0,0,0,0|2,0,0]=4 394 B5R0.3 O=C(CO)CO LL1029 [0,2,0,0,0,0|0,2,0]=4 395 B5R0.3 O=CC(Br)CBr LT1309 [0,2,0,0,0,0|1,1,0]=4 396 B5R0.3 O=C[C@H](O)CO LT7747 [0,2,0,0,0,0|0,2,0]=4 397 B5R0.3 OC(CBr)CBr LL0228 [0,2,0,0,0,0|1,1,0]=4 398 B5R0.3 OC(CCl)CCl LL0229 [0,2,0,0,0,0|1,1,0]=4 399 B5R0.3 OCC(Br)CBr LL0222 [0,2,0,0,0,0|1,1,0]=4 400 B5R0.3 OCC(Br)CO RT0384 [0,2,0,0,0,0|0,2,0]=4 401 B5R0.3 OCC(Cl)CCl LQ1185 [0,2,0,0,0,0|1,1,0]=4 402 B5R0.3 OCC(Cl)CO RT1084 [0,2,0,0,0,0|0,2,0]=4 403 B5R0.3 OCC(O)CBr RT0218 [0,2,0,0,0,0|0,2,0]=4 404 B5R0.3 OCC(O)CCl LL0230 [0,2,0,0,0,0|0,2,0]=4 405 B5R0.3 OCC(O)CI RT1254 [0,2,0,0,0,0|0,2,0]=4 406 B5R0.3 OCC(O)CO LT6375 [0,2,0,0,0,0|0,2,0]=4 407 B5R0.3 OCC(O)CO RT14397 [0,2,0,0,0,0|0,2,0]=4 408 B5R0.3 OCC(O)CO XJ4849 [0,2,0,0,0,0|0,2,0]=4 409 B5R0.3 OCC(O)CS LL0232 [0,2,0,0,0,0|0,1,0]=3 410 B5R0.3 OC[C@H](O)CBr YH33404 [0,2,0,0,0,0|0,2,0]=4 411 B5R0.3 OC[C@H](O)CCl LT5275 [0,2,0,0,0,0|0,2,0]=4 412 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,2,0,0,0,0|0,2,0]=4 413 B5R0.4 BrCC(Br)(Br)Br JZ5646 [0,2,0,0,0,0|2,0,0]=4 414 B5R0.4 CC(C)(Br)CCl HL2125 [0,2,0,0,0,0|2,0,0]=4 415 B5R0.4 CC(C)(C)CBr LQ1283 [0,2,0,0,0,0|2,0,0]=4 416 B5R0.4 CC(C)(C)CCl XJ1305 [0,2,0,0,0,0|2,0,0]=4 417 B5R0.4 CC(C)(C)CO LQ0123 [0,2,0,0,0,0|1,1,0]=4 418 B5R0.4 CC(C)(F)CBr YH65172 [0,2,0,0,0,0|2,0,0]=4 419 B5R0.4 CC(C)(F)CO RT0499 [0,2,0,0,0,0|1,1,0]=4 420 B5R0.4 CC(C)(N)CO LT0229 [0,2,0,0,0,0|1,1,0]=4 421 B5R0.4 CC(C)(O)CBr RT16393 [0,2,0,0,0,0|1,1,0]=4 422 B5R0.4 CC(C)(O)CCl LQ1048 [0,2,0,0,0,0|1,1,0]=4 423 B5R0.4 CC(C)(O)CO RT1147 [0,2,0,0,0,0|0,2,0]=4 424 B5R0.4 CC(C)(S)CN LX2484 [0,2,0,0,0,0|1,0,0]=3 425 B5R0.4 CC(F)(F)CO YH55117 [0,2,0,0,0,0|1,1,0]=4 426 B5R0.4 CCC(C)(C)Cl LQ1095 [0,2,0,0,0,0|2,0,0]=4 427 B5R0.4 CCC(C)(C)N LQ1096 [0,2,0,0,0,0|2,0,0]=4 428 B5R0.4 CCC(C)(C)[O-] LL2022 [0,2,0,0,0,0|1,1,0]=4 429 B5R0.4 CCC(C)(Cl)Cl LQ2644 [0,2,0,0,0,0|2,0,0]=4 430 B5R0.4 CCC(Cl)(Cl)Cl XJ4875 [0,2,0,0,0,0|2,0,0]=4 431 B5R0.4 ClC(Cl)(Br)CBr LQ0121 [0,2,0,0,0,0|2,0,0]=4 432 B5R0.4 ClCC(Cl)(Cl)Cl XJ0082 [0,2,0,0,0,0|2,0,0]=4 433 B5R0.4 NCC(F)(F)F XJ0721 [0,2,0,0,0,0|2,0,0]=4 434 B5R0.4 NCC(F)(F)F XJ1306 [0,2,0,0,0,0|2,0,0]=4 435 B5R0.4 OCC(Br)(Br)Br JZ4523 [0,2,0,0,0,0|1,1,0]=4 436 B5R0.4 OCC(Br)(Br)Br LQ0120 [0,2,0,0,0,0|1,1,0]=4 437 B5R0.4 OCC(F)(F)F LQ0127 [0,2,0,0,0,0|1,1,0]=4 438 B5R0.5 BrC(Br)C(Br)Br XJ0078 [0,2,0,0,0,0|2,0,0]=4 439 B5R0.5 CC(=O)C(C)S LT2609 [0,2,0,0,0,0|0,1,1]=4 440 B5R0.5 CC(C)C(C)C XJ0079 [0,2,0,0,0,0|2,0,0]=4 441 B5R0.5 CC(C)C(C)N LQ1148 [0,2,0,0,0,0|2,0,0]=4 442 B5R0.5 CC(C)C(C)O LQ1149 [0,2,0,0,0,0|1,1,0]=4 443 B5R0.5 CC(C)C(C)S HL2141 [0,2,0,0,0,0|1,0,0]=3 444 B5R0.5 CC(O)C(C)O HL1925 [0,2,0,0,0,0|0,2,0]=4 445 B5R0.5 CC(O)C(C)O HL3363 [0,2,0,0,0,0|0,2,0]=4 446 B5R0.5 CC(O)C(C)S LT3134 [0,2,0,0,0,0|0,1,0]=3 447 B5R0.5 CC(S)C(C)S HL2771 [0,2,0,0,0,0|0,0,0]=2 448 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,2,0,0,0,0|0,2,0]=4 449 B5R0.2 BrCCCCBr RT17667 [0,2,0,0,0,0|2,0,0]=4 450 B5R0.2 BrC\C=C\CBr LT4968 [0,2,0,0,0,0|2,0,0]=4 451 B5R0.2 C#CCCCBr RT0013 [0,2,0,0,0,0|2,0,0]=4 452 B5R0.2 C#CCCCC LQ1326 [0,2,0,0,0,0|2,0,0]=4 453 B5R0.2 C#CCCCO XJ2908 [0,2,0,0,0,0|1,1,0]=4 454 B5R0.2 C#CCCCS RT16516 [0,2,0,0,0,0|1,0,0]=3 455 B5R0.2 C=CCCC=C HL0118 [0,2,0,0,0,0|2,0,0]=4 456 B5R0.2 C=CCCCBr XJ1587 [0,2,0,0,0,0|2,0,0]=4 457 B5R0.2 CCC#CCBr RT0546 [0,2,0,0,0,0|2,0,0]=4 458 B5R0.2 CCCCC#N LL0427 [0,2,0,0,0,0|2,0,0]=4 459 B5R0.2 CCCCCI HL0274 [0,2,0,0,0,0|2,0,0]=4 460 B5R0.2 CCCCNC LL0434 [0,2,0,0,0,0|2,0,0]=4 461 B5R0.2 CCCCSC HL0277 [0,2,0,0,0,0|1,0,0]=3 462 B5R0.2 CCCC[SnH]=O LQ5214 [0,2,0,0,0,0|1,1,0]=4 463 B5R0.2 CCCN=C=O LL0443 [0,2,0,0,0,0|1,1,0]=4 464 B5R0.2 CCCN=C=S HL0278 [0,2,0,0,0,0|1,0,1]=4 465 B5R0.2 CCCOC=O LL0440 [0,2,0,0,0,0|1,1,0]=4 466 B5R0.2 CCCOCCl JZ2364 [0,2,0,0,0,0|1,1,0]=4 467 B5R0.2 CCCSC#N LQ2617 [0,2,0,0,0,0|1,0,0]=3 468 B5R0.2 CCCSCC LT5403 [0,2,0,0,0,0|1,0,0]=3 469 B5R0.2 CCNCCO LL0439 [0,2,0,0,0,0|1,1,0]=4 470 B5R0.2 CCNNCC LQ3339 [0,2,0,0,0,0|2,0,0]=4 471 B5R0.2 CCOCCBr HL0120 [0,2,0,0,0,0|1,1,0]=4 472 B5R0.2 CCOCCCl HL0279 [0,2,0,0,0,0|1,1,0]=4 473 B5R0.2 CCOCCO LL0444 [0,2,0,0,0,0|0,2,0]=4 474 B5R0.2 CC\C=C\CC JZ3712 [0,2,0,0,0,0|2,0,0]=4 475 B5R0.2 CNCCNC LL0436 [0,2,0,0,0,0|2,0,0]=4 476 B5R0.2 CNCCOC LQ4938 [0,2,0,0,0,0|1,1,0]=4 477 B5R0.2 COCCC#N LL0433 [0,2,0,0,0,0|1,1,0]=4 478 B5R0.2 COCCC=O YH51649 [0,2,0,0,0,0|0,2,0]=4 479 B5R0.2 COCCCCl LQ4914 [0,2,0,0,0,0|1,1,0]=4 480 B5R0.2 COCCCN LT2986 [0,2,0,0,0,0|1,1,0]=4 481 B5R0.2 CSCCC=O LT3092 [0,2,0,0,0,0|0,1,0]=3 482 B5R0.2 CSCCCN XJ2622 [0,2,0,0,0,0|1,0,0]=3 483 B5R0.2 CSCCCO XJ0883 [0,2,0,0,0,0|0,1,0]=3 484 B5R0.2 CSC\C=N\O LQ3457 [0,2,0,0,0,0|0,1,1]=4 485 B5R0.2 C\C=C\CCC XJ2577 [0,2,0,0,0,0|2,0,0]=4 486 B5R0.2 ClCCCCI XJ3625 [0,2,0,0,0,0|2,0,0]=4 487 B5R0.2 ClCCOCCl HL0847 [0,2,0,0,0,0|1,1,0]=4 488 B5R0.2 ClC\C=C/CCl LT6210 [0,2,0,0,0,0|2,0,0]=4 489 B5R0.2 ClC\C=C\CCl LL0426 [0,2,0,0,0,0|2,0,0]=4 490 B5R0.2 ICCCCI HL0276 [0,2,0,0,0,0|2,0,0]=4 491 B5R0.2 N#CCCCBr XJ2830 [0,2,0,0,0,0|2,0,0]=4 492 B5R0.2 NCCCCCl JZ1120 [0,2,0,0,0,0|2,0,0]=4 493 B5R0.2 NCCCCN LL0428 [0,2,0,0,0,0|2,0,0]=4 494 B5R0.2 NCCCCO XJ3835 [0,2,0,0,0,0|1,1,0]=4 495 B5R0.2 NOCCCS RT0541 [0,2,0,0,0,0|0,1,0]=3 496 B5R0.2 O=C=NCCCl LT6514 [0,2,0,0,0,0|1,1,0]=4 497 B5R0.2 O=CCCC=O YH11511 [0,2,0,0,0,0|0,2,0]=4 498 B5R0.2 OCC#CCCl JZ3715 [0,2,0,0,0,0|1,1,0]=4 499 B5R0.2 OCCCCCl LQ1521 [0,2,0,0,0,0|1,1,0]=4 500 B5R0.2 OCCCCF RT1165 [0,2,0,0,0,0|1,1,0]=4 501 B5R0.2 OCCOCCl RT1169 [0,2,0,0,0,0|0,2,0]=4 502 B5R0.2 OC\C=C\CBr RT1108 [0,2,0,0,0,0|1,1,0]=4 503 B5R0.2 S=C=NCCBr HL0884 [0,2,0,0,0,0|1,0,1]=4 504 B5R0.2 S=C=NCCCl JZ2873 [0,2,0,0,0,0|1,0,1]=4 505 B3R1.1 C1CS1 LL0755 [1,0,0,1,0,0|0,0,0]=2 506 B5R1.2 BrC1CCC1 LT7156 [0,1,0,1,0,0|2,0,0]=4 507 B5R1.2 FC1CNC1 RT4119 [0,1,0,1,0,0|2,0,0]=4 508 B5R1.2 FC1CNC1 YH65878 [0,1,0,1,0,0|2,0,0]=4 509 B5R1.2 IC1COC1 YH65509 [0,1,0,1,0,0|1,1,0]=4 510 B5R1.2 NC1COC1 LQ4263 [0,1,0,1,0,0|1,1,0]=4 511 B5R1.2 NC1COC1 YH65543 [0,1,0,1,0,0|1,1,0]=4 512 B5R1.2 O=C1CCC1 LT7155 [0,1,0,1,0,0|1,1,0]=4 513 B5R1.2 O=C1CSC1 YH65134 [0,1,0,1,0,0|0,1,1]=4 514 B5R1.2 OC1CCC1 JZ2141 [0,1,0,1,0,0|1,1,0]=4 515 B5R1.2 OC1CNC1 LQ5145 [0,1,0,1,0,0|1,1,0]=4 516 B5R1.2 OC1CNC1 LX2402 [0,1,0,1,0,0|1,1,0]=4 517 B5R1.2 OC1COC1 JZ3200 [0,1,0,1,0,0|0,2,0]=4 518 B5R1.3 BrCC1CC1 LT6195 [0,1,0,1,0,0|2,0,0]=4 519 B5R1.3 BrCC1CO1 LQ2403 [0,1,0,1,0,0|1,1,0]=4 520 B5R1.3 Br[Mg]C1CC1 XJ4727 [0,1,0,1,0,0|2,0,0]=4 521 B5R1.3 C=CC1CO1 LQ1542 [0,1,0,1,0,0|1,1,0]=4 522 B5R1.3 CNC1CC1 YH13207 [0,1,0,1,0,0|2,0,0]=4 523 B5R1.3 ClCC1CO1 RT15055 [0,1,0,1,0,0|1,1,0]=4 524 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,1,0,1,0,0|1,1,0]=4 525 B5R1.3 N#CC1CO1 RT14822 [0,1,0,1,0,0|1,1,0]=4 526 B5R1.3 NCC1CC1 HL2308 [0,1,0,1,0,0|2,0,0]=4 527 B5R1.3 O=CC1CC1 HL0901 [0,1,0,1,0,0|1,1,0]=4 528 B5R1.3 OCC1CC1 LT7741 [0,1,0,1,0,0|1,1,0]=4 529 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,1,0,1,0,0|0,2,0]=4 530 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,1,0,1,0,0|0,2,0]=4 531 B5R1.4 CC1OC1C XJ2416 [0,1,0,1,0,0|1,1,0]=4 532 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,1,0,1,0,0|1,1,0]=4 533 B5R1.1 C1=CCNC1 LL0398 [0,1,0,1,0,0|2,0,0]=4 534 B5R1.1 C1=CCNC1 YH11319 [0,1,0,1,0,0|2,0,0]=4 535 B5R1.1 C1=COCC1 RT14584 [0,1,0,1,0,0|1,1,0]=4 536 B5R1.1 C1=NCCO1 XJ4908 [0,1,0,1,0,0|1,1,0]=4 537 B5R1.1 C1CCCC1 LT4684 [0,1,0,1,0,0|2,0,0]=4 538 B5R1.1 C1CCCC1 LT5516 [0,1,0,1,0,0|2,0,0]=4 539 B5R1.1 C1CCCC1 XJ1692 [0,1,0,1,0,0|2,0,0]=4 540 B5R1.1 C1CCNC1 JZ1776 [0,1,0,1,0,0|2,0,0]=4 541 B5R1.1 C1CCOC1 JZ5471 [0,1,0,1,0,0|1,1,0]=4 542 B5R1.1 C1CCOC1 LL0399 [0,1,0,1,0,0|1,1,0]=4 543 B5R1.1 C1CCOC1 LQ4465 [0,1,0,1,0,0|1,1,0]=4 544 B5R1.1 C1CNCN1 XJ0880 [0,1,0,1,0,0|2,0,0]=4 545 B5R1.1 C1COCN1 RT14144 [0,1,0,1,0,0|1,1,0]=4