0 B3R0.1 C#CC#N LT4661 [0,0,0,0,0,0|1,0,3]=4 1 B3R0.1 C#CC=O YH10644 [0,0,0,0,0,0|0,0,4]=4 2 B3R0.1 C#CCCl XJ1172 [0,0,0,0,0,0|1,0,2]=3 3 B3R0.1 C#CCN RT16379 [0,0,0,0,0,0|1,0,2]=3 4 B3R0.1 C#CCN XJ2196 [0,0,0,0,0,0|1,0,2]=3 5 B3R0.1 C#C[Mg]Cl LL1126 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 C=C=CC HL0077 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.1 C=CC=C HL1335 [0,0,0,0,0,0|1,0,3]=4 8 B3R0.1 C=CC=C XJ3466 [0,0,0,0,0,0|1,0,3]=4 9 B3R0.1 C=CC=O RT0993 [0,0,0,0,0,0|0,0,4]=4 10 B3R0.1 C=CCBr RT17399 [0,0,0,0,0,0|1,0,2]=3 11 B3R0.1 C=CCC HL1334 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.1 C=CCI LQ1006 [0,0,0,0,0,0|1,0,2]=3 13 B3R0.1 C=CCN XJ6235 [0,0,0,0,0,0|1,0,2]=3 14 B3R0.1 C=CCO LT3384 [0,0,0,0,0,0|0,0,2]=2 15 B3R0.1 C=CCS LT3385 [0,0,0,0,0,0|0,1,2]=3 16 B3R0.1 C=C[Mg]Cl JZ2315 [0,0,0,0,0,0|2,0,2]=4 17 B3R0.1 CCC=S LT2311 [0,0,0,0,0,0|0,1,1]=2 18 B3R0.1 CCCCl XJ0925 [0,0,0,0,0,0|1,0,0]=1 19 B3R0.1 CCON LT7287 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.1 CCSC XJ1178 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.1 CN=C=O XJ1176 [0,0,0,0,0,0|1,0,2]=3 22 B3R0.1 CNOC LT1363 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.1 COCCl RT17912 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.1 CSC#N LQ1008 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.1 CSCCl LQ2158 [0,0,0,0,0,0|2,0,0]=2 26 B3R0.1 C\C=N\O LT3638 [0,0,0,0,0,0|1,0,1]=2 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|1,0,0]=1 40 B3R0.1 NCCS LL0054 [0,0,0,0,0,0|1,1,0]=2 41 B3R0.1 NCCS LQ0646 [0,0,0,0,0,0|1,1,0]=2 42 B3R0.1 NNC=O XJ1177 [0,0,0,0,0,0|2,0,2]=4 43 B3R0.1 OCCBr XJ0924 [0,0,0,0,0,0|1,0,0]=1 44 B3R0.1 OCCO LT7654 [0,0,0,0,0,0|1,0,0]=1 45 B3R0.1 [2H]OCC RT1050 [0,0,0,0,0,0|2,0,0]=2 46 B3R0.1 [Li]CCC LQ1980 [0,0,0,0,0,0|1,0,0]=1 47 B3R0.1 [O-]CC[O-] RT16375 [0,0,0,0,0,0|1,0,1]=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|0,0,3]=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|0,0,3]=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|0,0,2]=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|0,1,0]=2 58 B2R0.1 CC[O-] HL0532 [1,0,0,0,0,0|0,0,1]=2 59 B2R0.1 CC[O-] HL2878 [1,0,0,0,0,0|0,0,1]=2 60 B2R0.1 CC[O-] HL4901 [1,0,0,0,0,0|0,0,1]=2 61 B2R0.1 CC[O-] JZ1966 [1,0,0,0,0,0|0,0,1]=2 62 B2R0.1 CC[O-] JZ2286 [1,0,0,0,0,0|0,0,1]=2 63 B2R0.1 CC[O-] JZ4882 [1,0,0,0,0,0|0,0,1]=2 64 B2R0.1 CC[O-] XJ5943 [1,0,0,0,0,0|0,0,1]=2 65 B2R0.1 CSC JZ3723 [1,0,0,0,0,0|1,0,0]=2 66 B2R0.1 C[Hg]O LQ1729 [1,0,0,0,0,0|1,0,0]=2 67 B2R0.1 C[N-]C JZ2361 [1,0,0,0,0,0|1,0,0]=2 68 B2R0.1 C[Se]C LQ1086 [1,0,0,0,0,0|1,0,0]=2 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|1,0,2]=4 75 B2R0.1 N#C[S-] HL0127 [1,0,0,0,0,0|1,1,1]=4 76 B2R0.1 N#C[S-] LQ2029 [1,0,0,0,0,0|1,1,1]=4 77 B2R0.1 N#C[S-] XJ1896 [1,0,0,0,0,0|1,1,1]=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|1,0,2]=4 80 B2R0.1 O=CO JZ5436 [1,0,0,0,0,0|1,0,1]=3 81 B2R0.1 O=C[O-] HL2500 [1,0,0,0,0,0|1,0,2]=4 82 B2R0.1 O=C[O-] LQ1036 [1,0,0,0,0,0|1,0,2]=4 83 B2R0.1 O=C[O-] LQ1425 [1,0,0,0,0,0|1,0,2]=4 84 B2R0.1 O=C[O-] LQ2986 [1,0,0,0,0,0|1,0,2]=4 85 B2R0.1 O=C[O-] XJ2402 [1,0,0,0,0,0|1,0,2]=4 86 B2R0.1 O=C[O-] XJ3084 [1,0,0,0,0,0|1,0,2]=4 87 B2R0.1 O=[15N][O-] RT1049 [1,0,0,0,0,0|2,0,1]=4 88 B2R0.1 O=[Pt]=O RT17671 [1,0,0,0,0,0|2,0,1]=4 89 B2R0.1 [18O]=N[18O-] RT1046 [1,0,0,0,0,0|2,0,1]=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)C LL0127 [0,1,0,0,0,0|1,0,2]=4 94 B4R0.1 C#CC(=O)O LQ0858 [0,1,0,0,0,0|0,0,3]=4 95 B4R0.1 C#CC(C)O JZ2135 [0,1,0,0,0,0|0,0,2]=3 96 B4R0.1 C#C[C@H](C)N RT3964 [0,1,0,0,0,0|1,0,1]=3 97 B4R0.1 C(=O)N(C)C YH13617 [0,1,0,0,0,0|1,0,2]=4 98 B4R0.1 C=C(Br)CC LQ4356 [0,1,0,0,0,0|1,0,1]=3 99 B4R0.1 C=C(C)C#N RT1064 [0,1,0,0,0,0|1,0,2]=4 100 B4R0.1 C=C(C)C=O RT1202 [0,1,0,0,0,0|0,0,3]=4 101 B4R0.1 C=C(C)CC LQ1059 [0,1,0,0,0,0|1,0,1]=3 102 B4R0.1 C=C(C)OC HL1466 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,1,0,0,0,0|2,0,1]=4 104 B4R0.1 C=C=C(C)C LQ1135 [0,1,0,0,0,0|1,0,2]=4 105 B4R0.1 C=CC(=O)O LL0145 [0,1,0,0,0,0|0,0,3]=4 106 B4R0.1 C=CC(=O)O LQ4543 [0,1,0,0,0,0|0,0,3]=4 107 B4R0.1 C=CC(C)Cl LQ1061 [0,1,0,0,0,0|1,0,1]=3 108 B4R0.1 CC(=O)CBr LQ1137 [0,1,0,0,0,0|1,0,1]=3 109 B4R0.1 CC(=O)CN LX3064 [0,1,0,0,0,0|1,0,1]=3 110 B4R0.1 CC(=O)NBr XJ0071 [0,1,0,0,0,0|2,0,1]=4 111 B4R0.1 CC(=O)NN LQ1629 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.1 CC(Br)CBr LL0123 [0,1,0,0,0,0|1,0,0]=2 113 B4R0.1 CC(Br)CCl XJ2375 [0,1,0,0,0,0|1,0,0]=2 114 B4R0.1 CC(C)CI HL1913 [0,1,0,0,0,0|1,0,0]=2 115 B4R0.1 CC(C)CS HL1915 [0,1,0,0,0,0|0,1,0]=2 116 B4R0.1 CC(C)NN LQ3967 [0,1,0,0,0,0|2,0,0]=3 117 B4R0.1 CC(C)NO LT5054 [0,1,0,0,0,0|1,0,0]=2 118 B4R0.1 CC(N)C#N LT6014 [0,1,0,0,0,0|1,0,1]=3 119 B4R0.1 CC(N)CN YH43801 [0,1,0,0,0,0|1,0,0]=2 120 B4R0.1 CC(N)CO JZ1400 [0,1,0,0,0,0|0,0,0]=1 121 B4R0.1 CC(O)CF YH01374 [0,1,0,0,0,0|1,0,0]=2 122 B4R0.1 CCB(O)O XJ2684 [0,1,0,0,0,0|1,0,0]=2 123 B4R0.1 CCC(=O)Cl YH19012 [0,1,0,0,0,0|0,0,2]=3 124 B4R0.1 CCC(=O)[O-] HL1636 [0,1,0,0,0,0|0,0,2]=3 125 B4R0.1 CCC(=O)[O-] LQ1030 [0,1,0,0,0,0|0,0,2]=3 126 B4R0.1 CCC(C)I LT2185 [0,1,0,0,0,0|1,0,0]=2 127 B4R0.1 CC[C@@H](C)N JZ3698 [0,1,0,0,0,0|1,0,0]=2 128 B4R0.1 CN(C)N=O RT4837 [0,1,0,0,0,0|2,0,1]=4 129 B4R0.1 CNC(=S)[S-] LL0589 [0,1,0,0,0,0|1,1,1]=4 130 B4R0.1 CNC(=S)[S-] RT0569 [0,1,0,0,0,0|1,1,1]=4 131 B4R0.1 CNC(N)=S LQ1142 [0,1,0,0,0,0|1,1,1]=4 132 B4R0.1 COC(=N)N JZ2721 [0,1,0,0,0,0|2,0,1]=4 133 B4R0.1 COC(=O)Cl XJ0076 [0,1,0,0,0,0|1,0,2]=4 134 B4R0.1 COC(C)=N YH35544 [0,1,0,0,0,0|2,0,1]=4 135 B4R0.1 COC(C)C RT17590 [0,1,0,0,0,0|2,0,0]=3 136 B4R0.1 COC(Cl)Cl XJ2773 [0,1,0,0,0,0|2,0,0]=3 137 B4R0.1 COC(N)=O LQ1144 [0,1,0,0,0,0|1,0,2]=4 138 B4R0.1 COC(N)=[NH2+] LT5794 [0,1,0,0,0,0|2,0,1]=4 139 B4R0.1 COP(Cl)Cl XJ2430 [0,1,0,0,0,0|3,0,0]=4 140 B4R0.1 CSC(=N)N HL3579 [0,1,0,0,0,0|2,0,1]=4 141 B4R0.1 CSC(C)C LT4098 [0,1,0,0,0,0|2,0,0]=3 142 B4R0.1 CS[S+](C)C HL3015 [0,1,0,0,0,0|3,0,0]=4 143 B4R0.1 C[C@@H](N)CN YH65431 [0,1,0,0,0,0|1,0,0]=2 144 B4R0.1 C[C@@H](O)CN LT7643 [0,1,0,0,0,0|1,0,0]=2 145 B4R0.1 C[C@H](Cl)CO JZ5320 [0,1,0,0,0,0|0,0,0]=1 146 B4R0.1 C[C@H](Cl)CO XJ5311 [0,1,0,0,0,0|0,0,0]=1 147 B4R0.1 C[C@H](N)CO HL2372 [0,1,0,0,0,0|0,0,0]=1 148 B4R0.1 C[C@H](N)CO LT7580 [0,1,0,0,0,0|0,0,0]=1 149 B4R0.1 C[C@H](O)CCl JZ5302 [0,1,0,0,0,0|1,0,0]=2 150 B4R0.1 C\C=C(\C)Br JZ3724 [0,1,0,0,0,0|1,0,2]=4 151 B4R0.1 ClCC(Cl)Cl LL0136 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.1 N#CC(Br)Br XJ2403 [0,1,0,0,0,0|2,0,1]=4 153 B4R0.1 N#CC(Cl)Cl XJ2376 [0,1,0,0,0,0|2,0,1]=4 154 B4R0.1 N#CC(I)I RT0733 [0,1,0,0,0,0|2,0,1]=4 155 B4R0.1 N=C(O)CO LQ1140 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.1 NC(=O)CCl RT4709 [0,1,0,0,0,0|1,0,2]=4 157 B4R0.1 NC(=O)NO RT4756 [0,1,0,0,0,0|2,0,1]=4 158 B4R0.1 NCC(=O)O JZ0518 [0,1,0,0,0,0|1,0,1]=3 159 B4R0.1 NCC(=O)O LQ3009 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.1 NCC(=O)[O-] JZ1232 [0,1,0,0,0,0|1,0,2]=4 161 B4R0.1 NCC(=O)[O-] JZ1274 [0,1,0,0,0,0|1,0,2]=4 162 B4R0.1 NCC(=O)[O-] JZ1346 [0,1,0,0,0,0|1,0,2]=4 163 B4R0.1 NCC(=O)[O-] JZ1545 [0,1,0,0,0,0|1,0,2]=4 164 B4R0.1 NCC(=O)[O-] JZ1650 [0,1,0,0,0,0|1,0,2]=4 165 B4R0.1 NCC(N)=O HL0991 [0,1,0,0,0,0|1,0,2]=4 166 B4R0.1 NCC(N)=O LQ1139 [0,1,0,0,0,0|1,0,2]=4 167 B4R0.1 O=C(O)CBr LL0143 [0,1,0,0,0,0|1,0,1]=3 168 B4R0.1 O=C(O)CF LT5771 [0,1,0,0,0,0|1,0,1]=3 169 B4R0.1 O=C([O-])CCl LQ2589 [0,1,0,0,0,0|1,0,2]=4 170 B4R0.1 O=C([O-])CO LQ2283 [0,1,0,0,0,0|1,0,1]=3 171 B4R0.1 O=C([O-])CO XJ5448 [0,1,0,0,0,0|1,0,1]=3 172 B4R0.1 O=C([O-])CS HL2967 [0,1,0,0,0,0|1,0,2]=4 173 B4R0.1 O=C([O-])CS LQ1436 [0,1,0,0,0,0|1,0,2]=4 174 B4R0.1 O=C([O-])CS XJ0675 [0,1,0,0,0,0|1,0,2]=4 175 B4R0.1 O=C([O-])CS XJ6033 [0,1,0,0,0,0|1,0,2]=4 176 B4R0.1 O=CC(=O)O LL0641 [0,1,0,0,0,0|1,0,2]=4 177 B4R0.1 O=CC(=O)O LQ1072 [0,1,0,0,0,0|1,0,2]=4 178 B4R0.1 O=CC(Cl)Br RT17654 [0,1,0,0,0,0|1,0,2]=4 179 B4R0.1 O=CC(Cl)Cl RT1083 [0,1,0,0,0,0|1,0,2]=4 180 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,1,0,0,0,0|2,0,1]=4 181 B4R0.1 O=[N+]([O-])CCl RT1188 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.1 ON=C(Br)Br YH65574 [0,1,0,0,0,0|2,0,1]=4 183 B4R0.1 [2H]OC(C)=O XJ1316 [0,1,0,0,0,0|2,0,1]=4 184 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,1,0,0,0,0|0,0,0]=1 185 B4R0.2 C#CCCC HL0250 [0,1,0,0,0,0|1,0,0]=2 186 B4R0.2 C#CCCO LT6746 [0,1,0,0,0,0|0,0,1]=2 187 B4R0.2 C#CCNC RT0490 [0,1,0,0,0,0|1,0,1]=3 188 B4R0.2 C=CCC=C HL0109 [0,1,0,0,0,0|1,0,2]=4 189 B4R0.2 C=CCCBr LQ2822 [0,1,0,0,0,0|1,0,1]=3 190 B4R0.2 C=CCCN LQ2198 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.2 C=CCOC HL0257 [0,1,0,0,0,0|0,0,2]=3 192 B4R0.2 C=C\C=C\C XJ0878 [0,1,0,0,0,0|1,0,2]=4 193 B4R0.2 CC#CCO XJ1336 [0,1,0,0,0,0|0,0,1]=2 194 B4R0.2 CCCCN LQ2553 [0,1,0,0,0,0|1,0,0]=2 195 B4R0.2 CCCCS LL0387 [0,1,0,0,0,0|0,1,0]=2 196 B4R0.2 CCCC[O-] HL2476 [0,1,0,0,0,0|0,0,1]=2 197 B4R0.2 CCCC[O-] LQ4485 [0,1,0,0,0,0|0,0,1]=2 198 B4R0.2 CCC[Mg]Br LQ1517 [0,1,0,0,0,0|1,0,0]=2 199 B4R0.2 CCC[Mg]Cl XJ2093 [0,1,0,0,0,0|1,0,0]=2 200 B4R0.2 CCC[Zn-]Br HL3580 [0,1,0,0,0,0|1,0,0]=2 201 B4R0.2 CCOC=N LQ3955 [0,1,0,0,0,0|1,0,1]=3 202 B4R0.2 CCOC=O LL0396 [0,1,0,0,0,0|0,0,2]=3 203 B4R0.2 CCOCC LL1197 [0,1,0,0,0,0|1,0,0]=2 204 B4R0.2 CCOCC XJ5008 [0,1,0,0,0,0|1,0,0]=2 205 B4R0.2 CCSC#N XJ0959 [0,1,0,0,0,0|1,0,1]=3 206 B4R0.2 CCSSC LQ4240 [0,1,0,0,0,0|1,1,0]=3 207 B4R0.2 CC[AlH3+]CC LL0219 [0,1,0,0,0,0|1,0,0]=2 208 B4R0.2 CC[N-]CC RT4825 [0,1,0,0,0,0|1,0,0]=2 209 B4R0.2 CC[NH2+]CC XJ6105 [0,1,0,0,0,0|1,0,0]=2 210 B4R0.2 CC[Se]CC RT0534 [0,1,0,0,0,0|1,0,0]=2 211 B4R0.2 CNCCCl RT4724 [0,1,0,0,0,0|1,0,0]=2 212 B4R0.2 CNCCCl YH54353 [0,1,0,0,0,0|1,0,0]=2 213 B4R0.2 CNCCN LL0389 [0,1,0,0,0,0|1,0,0]=2 214 B4R0.2 COCC#N JZ4756 [0,1,0,0,0,0|1,0,1]=3 215 B4R0.2 COCCN LL0392 [0,1,0,0,0,0|1,0,0]=2 216 B4R0.2 COCCO XJ3502 [0,1,0,0,0,0|0,0,0]=1 217 B4R0.2 CSCC=O JZ5555 [0,1,0,0,0,0|0,0,2]=3 218 B4R0.2 CSCCO JZ2661 [0,1,0,0,0,0|0,0,0]=1 219 B4R0.2 CSSSC LT5322 [0,1,0,0,0,0|2,1,0]=4 220 B4R0.2 C\C=C/CO YH00287 [0,1,0,0,0,0|0,0,1]=2 221 B4R0.2 C\C=C\C=O XJ0511 [0,1,0,0,0,0|0,0,3]=4 222 B4R0.2 C\C=C\CC XJ1213 [0,1,0,0,0,0|1,0,1]=3 223 B4R0.2 C\C=C\CCl HL0110 [0,1,0,0,0,0|1,0,1]=3 224 B4R0.2 C\C=C\CN YH07653 [0,1,0,0,0,0|1,0,1]=3 225 B4R0.2 ClCCCI JZ3062 [0,1,0,0,0,0|1,0,0]=2 226 B4R0.2 Cl\C=C\CCl XJ0956 [0,1,0,0,0,0|1,0,2]=4 227 B4R0.2 FCCCBr SY0223 [0,1,0,0,0,0|1,0,0]=2 228 B4R0.2 N#CCCBr JZ2023 [0,1,0,0,0,0|1,0,1]=3 229 B4R0.2 N#CCCO RT1105 [0,1,0,0,0,0|0,0,1]=2 230 B4R0.2 N#CSCCl XJ2419 [0,1,0,0,0,0|2,0,1]=4 231 B4R0.2 NCCCBr HL2839 [0,1,0,0,0,0|1,0,0]=2 232 B4R0.2 NCCCCl LT6768 [0,1,0,0,0,0|1,0,0]=2 233 B4R0.2 NCCON RT0317 [0,1,0,0,0,0|1,0,0]=2 234 B4R0.2 NNCCO LT2306 [0,1,0,0,0,0|1,0,0]=2 235 B4R0.2 OCCCBr HL0249 [0,1,0,0,0,0|0,0,0]=1 236 B4R0.2 OCCCI HL0254 [0,1,0,0,0,0|0,0,0]=1 237 B4R0.2 OCCCO XJ0879 [0,1,0,0,0,0|0,0,0]=1 238 B4R0.2 SCCCS LL0388 [0,1,0,0,0,0|0,1,0]=2 239 B4R1.1 C1CNC1 LX2166 [0,0,0,1,0,0|1,0,0]=2 240 B4R1.1 C1CNC1 XJ0867 [0,0,0,1,0,0|1,0,0]=2 241 B4R1.2 BrC1CC1 JZ2471 [0,0,0,1,0,0|1,0,0]=2 242 B4R1.2 CC1=CC1 LQ2353 [0,0,0,1,0,0|1,0,1]=3 243 B4R1.2 CC1CN1 RT4107 [0,0,0,1,0,0|1,0,0]=2 244 B4R1.2 C[C@H]1CO1 XJ4234 [0,0,0,1,0,0|0,0,0]=1 245 B4R1.2 ClC1CC1 XJ1608 [0,0,0,1,0,0|1,0,0]=2 246 B4R1.2 [C@@H]1(C)CO1 YH36802 [0,0,0,1,0,0|0,0,0]=1 247 B1R0.1 C#[O+] LQ4581 [2,0,0,0,0,0|0,0,2]=4 248 B1R0.1 C=C LQ3489 [2,0,0,0,0,0|0,0,2]=4 249 B1R0.1 C=C XJ3674 [2,0,0,0,0,0|0,0,2]=4 250 B1R0.1 C=O LQ3496 [2,0,0,0,0,0|0,0,2]=4 251 B1R0.1 C=O XJ5274 [2,0,0,0,0,0|0,0,2]=4 252 B1R0.1 CC RT18521 [2,0,0,0,0,0|0,0,0]=2 253 B1R0.1 C[O-] JZ4928 [2,0,0,0,0,0|0,0,1]=3 254 B1R0.1 C[O-] LQ2241 [2,0,0,0,0,0|0,0,1]=3 255 B1R0.1 C[O-] XJ1374 [2,0,0,0,0,0|0,0,1]=3 256 B1R0.1 C[O-] XJ1510 [2,0,0,0,0,0|0,0,1]=3 257 B1R0.1 C[O-] XJ3898 [2,0,0,0,0,0|0,0,1]=3 258 B1R0.1 Cl[Re] JZ4861 [2,0,0,0,0,0|2,0,0]=4 259 B1R0.1 O=O XJ3353 [2,0,0,0,0,0|1,0,1]=4 260 B1R0.1 [AlH3]#P LT3685 [2,0,0,0,0,0|2,0,0]=4 261 B1R0.1 [C-2]#C XJ5562 [2,0,0,0,0,0|0,0,2]=4 262 B1R0.1 [C-]#N HL0111 [2,0,0,0,0,0|1,0,1]=4 263 B1R0.1 [C-]#N JZ4995 [2,0,0,0,0,0|1,0,1]=4 264 B1R0.1 [C-]#N JZ5157 [2,0,0,0,0,0|1,0,1]=4 265 B1R0.1 [C-]#N LQ1026 [2,0,0,0,0,0|1,0,1]=4 266 B1R0.1 [C-]#N LQ1028 [2,0,0,0,0,0|1,0,1]=4 267 B1R0.1 [C-]#N XJ2023 [2,0,0,0,0,0|1,0,1]=4 268 B1R0.1 [C-]#N XJ3974 [2,0,0,0,0,0|1,0,1]=4 269 B1R0.1 [C-]#N XJ4013 [2,0,0,0,0,0|1,0,1]=4 270 B1R0.1 [C-]#N XJ4594 [2,0,0,0,0,0|1,0,1]=4 271 B1R0.1 [C-]#N YH06419 [2,0,0,0,0,0|1,0,1]=4 272 B1R0.1 [C-]#[Cr] LT4539 [2,0,0,0,0,0|1,0,1]=4 273 B1R0.1 [C-]#[O+] JZ3492 [2,0,0,0,0,0|0,0,2]=4 274 B1R0.1 [C-]#[O+] JZ4829 [2,0,0,0,0,0|0,0,2]=4 275 B1R0.1 [C-]#[O+] JZ4857 [2,0,0,0,0,0|0,0,2]=4 276 B1R0.1 [C-]#[O+] JZ5201 [2,0,0,0,0,0|0,0,2]=4 277 B1R0.1 [C-]#[O+] LQ3701 [2,0,0,0,0,0|0,0,2]=4 278 B1R0.1 [C-]#[O+] LQ3892 [2,0,0,0,0,0|0,0,2]=4 279 B1R0.1 [C-]#[O+] XJ3546 [2,0,0,0,0,0|0,0,2]=4 280 B1R0.1 [C-]#[O+] XJ4059 [2,0,0,0,0,0|0,0,2]=4 281 B1R0.1 [CH-]=O LQ4060 [2,0,0,0,0,0|0,0,2]=4 282 B3R0.2 BrC(Br)I RT13513 [1,1,0,0,0,0|2,0,0]=4 283 B3R0.2 C(F)(Br)Br HL2045 [1,1,0,0,0,0|2,0,0]=4 284 B3R0.2 C=C(C)C HL1444 [1,1,0,0,0,0|0,0,1]=3 285 B3R0.2 C=C(C)Cl LQ1041 [1,1,0,0,0,0|0,0,2]=4 286 B3R0.2 C=[N+](C)C LQ4806 [1,1,0,0,0,0|1,0,0]=3 287 B3R0.2 CB(C)Br LQ2820 [1,1,0,0,0,0|1,0,0]=3 288 B3R0.2 CC(=N)N RT17426 [1,1,0,0,0,0|1,0,1]=4 289 B3R0.2 CC(=O)F LQ1042 [1,1,0,0,0,0|0,0,2]=4 290 B3R0.2 CC(=O)O JZ3704 [1,1,0,0,0,0|0,0,1]=3 291 B3R0.2 CC(=O)O XJ0034 [1,1,0,0,0,0|0,0,1]=3 292 B3R0.2 CC(=O)[O-] HL0535 [1,1,0,0,0,0|0,0,2]=4 293 B3R0.2 CC(=O)[O-] HL1089 [1,1,0,0,0,0|0,0,2]=4 294 B3R0.2 CC(=O)[O-] HL1536 [1,1,0,0,0,0|0,0,2]=4 295 B3R0.2 CC(=O)[O-] HL1556 [1,1,0,0,0,0|0,0,2]=4 296 B3R0.2 CC(=O)[O-] HL1980 [1,1,0,0,0,0|0,0,2]=4 297 B3R0.2 CC(=O)[O-] JZ2733 [1,1,0,0,0,0|0,0,2]=4 298 B3R0.2 CC(=O)[O-] JZ3035 [1,1,0,0,0,0|0,0,2]=4 299 B3R0.2 CC(=O)[O-] JZ4063 [1,1,0,0,0,0|0,0,2]=4 300 B3R0.2 CC(=O)[O-] JZ4064 [1,1,0,0,0,0|0,0,2]=4 301 B3R0.2 CC(=O)[O-] JZ5083 [1,1,0,0,0,0|0,0,2]=4 302 B3R0.2 CC(=O)[O-] JZ5622 [1,1,0,0,0,0|0,0,2]=4 303 B3R0.2 CC(=O)[O-] LL2757 [1,1,0,0,0,0|0,0,2]=4 304 B3R0.2 CC(=O)[O-] LQ1063 [1,1,0,0,0,0|0,0,2]=4 305 B3R0.2 CC(=O)[O-] LQ1064 [1,1,0,0,0,0|0,0,2]=4 306 B3R0.2 CC(=O)[O-] LQ1143 [1,1,0,0,0,0|0,0,2]=4 307 B3R0.2 CC(=O)[O-] LQ1294 [1,1,0,0,0,0|0,0,2]=4 308 B3R0.2 CC(=O)[O-] LQ1601 [1,1,0,0,0,0|0,0,2]=4 309 B3R0.2 CC(=O)[O-] LQ2985 [1,1,0,0,0,0|0,0,2]=4 310 B3R0.2 CC(=O)[O-] LQ3945 [1,1,0,0,0,0|0,0,2]=4 311 B3R0.2 CC(=O)[O-] LQ4020 [1,1,0,0,0,0|0,0,2]=4 312 B3R0.2 CC(=O)[O-] LQ5168 [1,1,0,0,0,0|0,0,2]=4 313 B3R0.2 CC(=O)[O-] LT7507 [1,1,0,0,0,0|0,0,2]=4 314 B3R0.2 CC(=O)[O-] LT7843 [1,1,0,0,0,0|0,0,2]=4 315 B3R0.2 CC(=O)[O-] XJ0536 [1,1,0,0,0,0|0,0,2]=4 316 B3R0.2 CC(=O)[O-] XJ0713 [1,1,0,0,0,0|0,0,2]=4 317 B3R0.2 CC(=O)[O-] XJ0970 [1,1,0,0,0,0|0,0,2]=4 318 B3R0.2 CC(=O)[O-] XJ2980 [1,1,0,0,0,0|0,0,2]=4 319 B3R0.2 CC(=O)[O-] YH65813 [1,1,0,0,0,0|0,0,2]=4 320 B3R0.2 CC(C)I LQ0090 [1,1,0,0,0,0|0,0,0]=2 321 B3R0.2 CC(C)S LQ0091 [1,1,0,0,0,0|0,0,0]=2 322 B3R0.2 CC(C)[O-] JZ4937 [1,1,0,0,0,0|0,0,0]=2 323 B3R0.2 CC(C)[O-] JZ5329 [1,1,0,0,0,0|0,0,0]=2 324 B3R0.2 CC(C)[O-] JZ5330 [1,1,0,0,0,0|0,0,0]=2 325 B3R0.2 CC(C)[O-] JZ5591 [1,1,0,0,0,0|0,0,0]=2 326 B3R0.2 CC(C)[O-] LL1978 [1,1,0,0,0,0|0,0,0]=2 327 B3R0.2 CC(C)[O-] LQ3154 [1,1,0,0,0,0|0,0,0]=2 328 B3R0.2 CC(C)[O-] LQ3155 [1,1,0,0,0,0|0,0,0]=2 329 B3R0.2 CC(C)[O-] LQ3188 [1,1,0,0,0,0|0,0,0]=2 330 B3R0.2 CC(C)[O-] LQ4092 [1,1,0,0,0,0|0,0,0]=2 331 B3R0.2 CC(C)[O-] XJ2702 [1,1,0,0,0,0|0,0,0]=2 332 B3R0.2 CC(C)[O-] XJ6011 [1,1,0,0,0,0|0,0,0]=2 333 B3R0.2 CC(Cl)Br LQ1089 [1,1,0,0,0,0|1,0,0]=3 334 B3R0.2 CC(Cl)Cl HL0746 [1,1,0,0,0,0|1,0,0]=3 335 B3R0.2 CC(Cl)Cl RT17620 [1,1,0,0,0,0|1,0,0]=3 336 B3R0.2 CC(F)F LQ0094 [1,1,0,0,0,0|1,0,0]=3 337 B3R0.2 CN(C)C JZ2219 [1,1,0,0,0,0|1,0,0]=3 338 B3R0.2 CP(C)C LL1775 [1,1,0,0,0,0|1,0,0]=3 339 B3R0.2 CS(C)=O XJ0069 [1,1,0,0,0,0|1,0,0]=3 340 B3R0.2 C[As](C)I RT5919 [1,1,0,0,0,0|1,0,0]=3 341 B3R0.2 C[As](I)I RT16135 [1,1,0,0,0,0|2,0,0]=4 342 B3R0.2 C[S+](C)C HL2475 [1,1,0,0,0,0|1,0,0]=3 343 B3R0.2 C[S+](C)C JZ1912 [1,1,0,0,0,0|1,0,0]=3 344 B3R0.2 C[SiH](C)C XJ1513 [1,1,0,0,0,0|0,1,0]=3 345 B3R0.2 C[Sn](C)=O HL2174 [1,1,0,0,0,0|1,0,0]=3 346 B3R0.2 ClC(Br)Br RT17718 [1,1,0,0,0,0|2,0,0]=4 347 B3R0.2 ClC(Br)I RT13512 [1,1,0,0,0,0|2,0,0]=4 348 B3R0.2 ClC(Cl)Br RT17719 [1,1,0,0,0,0|2,0,0]=4 349 B3R0.2 ClC(Cl)Cl XJ0068 [1,1,0,0,0,0|2,0,0]=4 350 B3R0.2 ClC(Cl)I RT13514 [1,1,0,0,0,0|2,0,0]=4 351 B3R0.2 ClC(I)I RT13516 [1,1,0,0,0,0|2,0,0]=4 352 B3R0.2 IC(I)I RT1156 [1,1,0,0,0,0|2,0,0]=4 353 B3R0.2 [13CH3][13C](N)=O RT4752 [1,1,0,0,0,0|0,0,2]=4 354 B5R0.1 BrCCC(Br)Br YH44143 [0,2,0,0,0,0|1,0,0]=3 355 B5R0.1 C#CCC(C)O LQ2032 [0,2,0,0,0,0|0,0,1]=3 356 B5R0.1 C#CCN(C)C LQ3198 [0,2,0,0,0,0|1,0,1]=4 357 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,2,0,0,0,0|0,0,1]=3 358 B5R0.1 C=C(C)OCC LT1730 [0,2,0,0,0,0|1,0,1]=4 359 B5R0.1 C=CCC(C)C LQ1324 [0,2,0,0,0,0|1,0,0]=3 360 B5R0.1 C=CCC(C)O XJ1184 [0,2,0,0,0,0|0,0,1]=3 361 B5R0.1 C=CCN(C)C JZ1867 [0,2,0,0,0,0|1,0,1]=4 362 B5R0.1 CC#C[C@H](C)O HL4870 [0,2,0,0,0,0|0,0,1]=3 363 B5R0.1 CC(=O)CC#N HL2246 [0,2,0,0,0,0|1,0,1]=4 364 B5R0.1 CC(=O)CC=O XJ1186 [0,2,0,0,0,0|0,0,2]=4 365 B5R0.1 CC(=O)CCS XJ5155 [0,2,0,0,0,0|0,1,0]=3 366 B5R0.1 CC(=O)\C=N\O LT6064 [0,2,0,0,0,0|0,0,2]=4 367 B5R0.1 CC(Br)CCBr HL1367 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.1 CC(C)=CCBr YH91045 [0,2,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(C)=CCN YH33589 [0,2,0,0,0,0|1,0,1]=4 370 B5R0.1 CC(C)=CCO LT3091 [0,2,0,0,0,0|0,0,1]=3 371 B5R0.1 CC(C)CC#N XJ1183 [0,2,0,0,0,0|1,0,0]=3 372 B5R0.1 CC(C)CCCl HL1371 [0,2,0,0,0,0|1,0,0]=3 373 B5R0.1 CC(C)CCI XJ0935 [0,2,0,0,0,0|1,0,0]=3 374 B5R0.1 CC(C)N=C=O LT4097 [0,2,0,0,0,0|0,0,2]=4 375 B5R0.1 CC(C)OC=O XJ1196 [0,2,0,0,0,0|0,0,2]=4 376 B5R0.1 CC(O)CC=O HL1375 [0,2,0,0,0,0|0,0,1]=3 377 B5R0.1 CCCC(=O)[O-] XJ2982 [0,2,0,0,0,0|0,0,1]=3 378 B5R0.1 CCCC(C)C HL1370 [0,2,0,0,0,0|1,0,0]=3 379 B5R0.1 CCCC(C)C HL4500 [0,2,0,0,0,0|1,0,0]=3 380 B5R0.1 CCCC(N)=O XJ0937 [0,2,0,0,0,0|0,0,1]=3 381 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,2,0,0,0,0|1,0,0]=3 382 B5R0.1 CCC[C@H](C)O LQ4668 [0,2,0,0,0,0|0,0,0]=2 383 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,2,0,0,0,0|0,0,1]=3 384 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,2,0,0,0,0|0,0,1]=3 385 B5R0.1 CCNC(C)=O XJ1192 [0,2,0,0,0,0|0,0,2]=4 386 B5R0.1 CCNC(N)=O XJ1194 [0,2,0,0,0,0|0,0,2]=4 387 B5R0.1 CCNC(N)=O XJ3539 [0,2,0,0,0,0|0,0,2]=4 388 B5R0.1 CCNC(N)=S XJ1195 [0,2,0,0,0,0|0,1,1]=4 389 B5R0.1 CCOC(=O)Cl XJ0938 [0,2,0,0,0,0|0,0,2]=4 390 B5R0.1 CCOC(=O)O XJ1147 [0,2,0,0,0,0|0,0,1]=3 391 B5R0.1 CCOC(=S)[S-] XJ0564 [0,2,0,0,0,0|0,1,1]=4 392 B5R0.1 CCOC(N)=O RT0197 [0,2,0,0,0,0|0,0,2]=4 393 B5R0.1 CCO[Si](=O)O JZ3510 [0,2,0,0,0,0|0,1,0]=3 394 B5R0.1 CCSC(=N)N RT19776 [0,2,0,0,0,0|1,0,1]=4 395 B5R0.1 CCSC(C)=O HL4138 [0,2,0,0,0,0|0,0,2]=4 396 B5R0.1 CCSC(C)=O XJ1197 [0,2,0,0,0,0|0,0,2]=4 397 B5R0.1 CC[NH2+]C(=N)N LQ2498 [0,2,0,0,0,0|1,0,1]=4 398 B5R0.1 CN(C)CCCl HL2802 [0,2,0,0,0,0|1,0,0]=3 399 B5R0.1 CN(C)CCN HL1382 [0,2,0,0,0,0|1,0,0]=3 400 B5R0.1 CN(C)CCO HL1383 [0,2,0,0,0,0|0,0,0]=2 401 B5R0.1 CN(C)CCS LT4952 [0,2,0,0,0,0|0,1,0]=3 402 B5R0.1 CNCC(=O)O JZ4055 [0,2,0,0,0,0|0,0,1]=3 403 B5R0.1 CNCC(=O)O RT0428 [0,2,0,0,0,0|0,0,1]=3 404 B5R0.1 CNCC(=O)[O-] JZ1762 [0,2,0,0,0,0|0,0,2]=4 405 B5R0.1 COCC(C)=O LT7464 [0,2,0,0,0,0|0,0,1]=3 406 B5R0.1 COCC(C)N XJ5266 [0,2,0,0,0,0|0,0,0]=2 407 B5R0.1 COC[C@H](C)N XJ6713 [0,2,0,0,0,0|0,0,0]=2 408 B5R0.1 CSCC(=N)N YH65419 [0,2,0,0,0,0|1,0,1]=4 409 B5R0.1 CSCC(=O)O XJ2185 [0,2,0,0,0,0|0,0,1]=3 410 B5R0.1 C[AlH3](C)C[Ti]Cl LL1155 [0,2,0,0,0,0|2,0,0]=4 411 B5R0.1 C[C@@H](N)CC#N YH66415 [0,2,0,0,0,0|1,0,0]=3 412 B5R0.1 C[C@@H](N)CCO RT0497 [0,2,0,0,0,0|0,0,0]=2 413 B5R0.1 C[C@@H](O)CCO SY0267 [0,2,0,0,0,0|0,0,0]=2 414 B5R0.1 C[C@H](N)CC#N YH66374 [0,2,0,0,0,0|1,0,0]=3 415 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,2,0,0,0,0|1,0,1]=4 416 B5R0.1 C\C(Cl)=C\CO RT17544 [0,2,0,0,0,0|0,0,1]=3 417 B5R0.1 C\C(I)=C/CO RT17534 [0,2,0,0,0,0|0,0,1]=3 418 B5R0.1 C\C=C\C(=O)O HL1378 [0,2,0,0,0,0|0,0,2]=4 419 B5R0.1 NC(=O)CCO RT17509 [0,2,0,0,0,0|0,0,1]=3 420 B5R0.1 NC(=O)NCO HL0559 [0,2,0,0,0,0|1,0,1]=4 421 B5R0.1 NCCC(=O)O JZ0318 [0,2,0,0,0,0|0,0,1]=3 422 B5R0.1 NOCC(=O)O RT0527 [0,2,0,0,0,0|1,0,1]=4 423 B5R0.1 O=C(Cl)CCCl JZ0826 [0,2,0,0,0,0|0,0,2]=4 424 B5R0.1 O=C(O)CCBr HL0088 [0,2,0,0,0,0|0,0,1]=3 425 B5R0.1 O=C(O)CCS SY0092 [0,2,0,0,0,0|0,0,1]=3 426 B5R0.1 O=C([O-])CCO RT1268 [0,2,0,0,0,0|0,0,1]=3 427 B5R0.3 BrCC(Br)CBr LL0220 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.3 C#CC(O)C#C LX2205 [0,2,0,0,0,0|0,0,2]=4 429 B5R0.3 C#CC(O)CC HL2704 [0,2,0,0,0,0|0,0,0]=2 430 B5R0.3 C=C(CC)CC XJ1324 [0,2,0,0,0,0|1,0,0]=3 431 B5R0.3 C=CC(C)CC XJ1323 [0,2,0,0,0,0|1,0,0]=3 432 B5R0.3 C=CC(O)C=C HL0553 [0,2,0,0,0,0|0,0,2]=4 433 B5R0.3 C=CC(O)CO RT18762 [0,2,0,0,0,0|0,0,1]=3 434 B5R0.3 C=C[C@@H](N)CO YH53874 [0,2,0,0,0,0|0,0,1]=3 435 B5R0.3 C=C[C@H](N)CO LX2169 [0,2,0,0,0,0|0,0,1]=3 436 B5R0.3 CC(CO)CO JZ1881 [0,2,0,0,0,0|0,0,0]=2 437 B5R0.3 CCC(=O)NC JZ4434 [0,2,0,0,0,0|0,0,2]=4 438 B5R0.3 CCC(Br)CC XJ1961 [0,2,0,0,0,0|1,0,0]=3 439 B5R0.3 CCC(C)C=O LL0224 [0,2,0,0,0,0|0,0,1]=3 440 B5R0.3 CCC(C)CBr LQ2987 [0,2,0,0,0,0|1,0,0]=3 441 B5R0.3 CCC(C)CBr LQ3410 [0,2,0,0,0,0|1,0,0]=3 442 B5R0.3 CCC(C)CC LL0223 [0,2,0,0,0,0|1,0,0]=3 443 B5R0.3 CCC(C)CCl LQ1182 [0,2,0,0,0,0|1,0,0]=3 444 B5R0.3 CCC(C)CO LL0587 [0,2,0,0,0,0|0,0,0]=2 445 B5R0.3 CCC(C)NC LQ3344 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.3 CCC(Cl)CCl LQ1184 [0,2,0,0,0,0|1,0,0]=3 447 B5R0.3 CCC(N)CC LQ1186 [0,2,0,0,0,0|1,0,0]=3 448 B5R0.3 CCC(N)CO LL0227 [0,2,0,0,0,0|0,0,0]=2 449 B5R0.3 CCC(S)CS XJ4247 [0,2,0,0,0,0|0,1,0]=3 450 B5R0.3 CCN(C)CC LQ1190 [0,2,0,0,0,0|1,0,0]=3 451 B5R0.3 CCN(C)N=O RT17894 [0,2,0,0,0,0|1,0,1]=4 452 B5R0.3 CCN(O)CC HL2577 [0,2,0,0,0,0|1,0,0]=3 453 B5R0.3 CC[C@@H](C)CO LQ1183 [0,2,0,0,0,0|0,0,0]=2 454 B5R0.3 CC[C@@H](O)CO LQ5013 [0,2,0,0,0,0|0,0,0]=2 455 B5R0.3 CC[C@H](C)CBr LL0949 [0,2,0,0,0,0|1,0,0]=3 456 B5R0.3 CC[C@H](O)CO HL4502 [0,2,0,0,0,0|0,0,0]=2 457 B5R0.3 CC\C(C)=N\O LL0233 [0,2,0,0,0,0|0,0,1]=3 458 B5R0.3 COC(=O)CN RT5049 [0,2,0,0,0,0|1,0,1]=4 459 B5R0.3 COC(=O)OC LQ1189 [0,2,0,0,0,0|1,0,1]=4 460 B5R0.3 CS\C(C)=N/O RT1099 [0,2,0,0,0,0|1,0,1]=4 461 B5R0.3 C\C(=C/Br)CBr RT0636 [0,2,0,0,0,0|1,0,1]=4 462 B5R0.3 C\C(=C/Br)CO RT0550 [0,2,0,0,0,0|0,0,1]=3 463 B5R0.3 N#CC(Br)CBr HL2792 [0,2,0,0,0,0|1,0,1]=4 464 B5R0.3 NC(CO)CO LL1303 [0,2,0,0,0,0|0,0,0]=2 465 B5R0.3 NCC(O)CN LQ1188 [0,2,0,0,0,0|1,0,0]=3 466 B5R0.3 NCC(O)CO JZ0486 [0,2,0,0,0,0|0,0,0]=2 467 B5R0.3 NC[C@H](O)CO YH09994 [0,2,0,0,0,0|0,0,0]=2 468 B5R0.3 NC[C@H](O)CO YH45696 [0,2,0,0,0,0|0,0,0]=2 469 B5R0.3 O=C(CBr)CBr LQ1454 [0,2,0,0,0,0|1,0,1]=4 470 B5R0.3 O=C(CF)CF CJ2432 [0,2,0,0,0,0|1,0,1]=4 471 B5R0.3 O=C(CI)CI RT0766 [0,2,0,0,0,0|1,0,1]=4 472 B5R0.3 O=C(CO)CO LL1029 [0,2,0,0,0,0|0,0,1]=3 473 B5R0.3 O=CC(Br)CBr LT1309 [0,2,0,0,0,0|0,0,2]=4 474 B5R0.3 O=CC(O)C=O RT17553 [0,2,0,0,0,0|1,0,1]=4 475 B5R0.3 O=C[C@H](O)CO LT7747 [0,2,0,0,0,0|0,0,1]=3 476 B5R0.3 OC(CBr)CBr LL0228 [0,2,0,0,0,0|1,0,0]=3 477 B5R0.3 OC(CCl)CCl LL0229 [0,2,0,0,0,0|1,0,0]=3 478 B5R0.3 OCC(Br)CBr LL0222 [0,2,0,0,0,0|0,0,0]=2 479 B5R0.3 OCC(Br)CO RT0384 [0,2,0,0,0,0|0,0,0]=2 480 B5R0.3 OCC(Cl)CCl LQ1185 [0,2,0,0,0,0|0,0,0]=2 481 B5R0.3 OCC(Cl)CO RT1084 [0,2,0,0,0,0|0,0,0]=2 482 B5R0.3 OCC(O)CBr RT0218 [0,2,0,0,0,0|0,0,0]=2 483 B5R0.3 OCC(O)CCl LL0230 [0,2,0,0,0,0|0,0,0]=2 484 B5R0.3 OCC(O)CI RT1254 [0,2,0,0,0,0|0,0,0]=2 485 B5R0.3 OCC(O)CO LT6375 [0,2,0,0,0,0|0,0,0]=2 486 B5R0.3 OCC(O)CO RT14397 [0,2,0,0,0,0|0,0,0]=2 487 B5R0.3 OCC(O)CO XJ4849 [0,2,0,0,0,0|0,0,0]=2 488 B5R0.3 OCC(O)CS LL0232 [0,2,0,0,0,0|0,0,0]=2 489 B5R0.3 OC[C@H](O)CBr YH33404 [0,2,0,0,0,0|0,0,0]=2 490 B5R0.3 OC[C@H](O)CCl LT5275 [0,2,0,0,0,0|0,0,0]=2 491 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,2,0,0,0,0|0,0,0]=2 492 B5R0.4 BrCC(Br)(Br)Br JZ5646 [0,2,0,0,0,0|2,0,0]=4 493 B5R0.4 C#CC(C)(C)Br XJ3073 [0,2,0,0,0,0|1,0,1]=4 494 B5R0.4 C#CC(C)(C)C YH95703 [0,2,0,0,0,0|1,0,1]=4 495 B5R0.4 C#CC(C)(C)N XJ2319 [0,2,0,0,0,0|1,0,1]=4 496 B5R0.4 C#CC(C)(C)O HL1447 [0,2,0,0,0,0|0,0,2]=4 497 B5R0.4 C=CC(C)(C)O HL1446 [0,2,0,0,0,0|0,0,2]=4 498 B5R0.4 CC(C)(Br)CCl HL2125 [0,2,0,0,0,0|1,0,0]=3 499 B5R0.4 CC(C)(C)C=O RT1153 [0,2,0,0,0,0|0,0,2]=4 500 B5R0.4 CC(C)(C)CBr LQ1283 [0,2,0,0,0,0|1,0,0]=3 501 B5R0.4 CC(C)(C)CCl XJ1305 [0,2,0,0,0,0|1,0,0]=3 502 B5R0.4 CC(C)(C)CO LQ0123 [0,2,0,0,0,0|0,0,0]=2 503 B5R0.4 CC(C)(C)OCl RT17559 [0,2,0,0,0,0|2,0,0]=4 504 B5R0.4 CC(C)(F)CBr YH65172 [0,2,0,0,0,0|1,0,0]=3 505 B5R0.4 CC(C)(F)CO RT0499 [0,2,0,0,0,0|0,0,0]=2 506 B5R0.4 CC(C)(N)CO LT0229 [0,2,0,0,0,0|0,0,0]=2 507 B5R0.4 CC(C)(O)CBr RT16393 [0,2,0,0,0,0|1,0,0]=3 508 B5R0.4 CC(C)(O)CCl LQ1048 [0,2,0,0,0,0|1,0,0]=3 509 B5R0.4 CC(C)(O)CO RT1147 [0,2,0,0,0,0|0,0,0]=2 510 B5R0.4 CC(C)(S)CN LX2484 [0,2,0,0,0,0|1,0,0]=3 511 B5R0.4 CC(F)(F)CO YH55117 [0,2,0,0,0,0|0,0,0]=2 512 B5R0.4 CCC(C)(C)Cl LQ1095 [0,2,0,0,0,0|1,0,0]=3 513 B5R0.4 CCC(C)(C)N LQ1096 [0,2,0,0,0,0|1,0,0]=3 514 B5R0.4 CCC(C)(C)[O-] LL2022 [0,2,0,0,0,0|0,0,1]=3 515 B5R0.4 CCC(C)(Cl)Cl LQ2644 [0,2,0,0,0,0|1,0,0]=3 516 B5R0.4 CCC(Cl)(Cl)Cl XJ4875 [0,2,0,0,0,0|1,0,0]=3 517 B5R0.4 CCP(=O)(Cl)Cl LQ1608 [0,2,0,0,0,0|1,0,1]=4 518 B5R0.4 CCP(=O)([O-])[O-] LT5219 [0,2,0,0,0,0|1,0,1]=4 519 B5R0.4 CCS(=O)(=O)O LQ1100 [0,2,0,0,0,0|1,0,0]=3 520 B5R0.4 CCS(=O)(=O)[O-] JZ2711 [0,2,0,0,0,0|1,0,1]=4 521 B5R0.4 CCS(C)(=O)=O LQ1098 [0,2,0,0,0,0|1,0,1]=4 522 B5R0.4 CCS(N)(=O)=O LQ1828 [0,2,0,0,0,0|1,0,1]=4 523 B5R0.4 CSC(C)(C)C XJ3040 [0,2,0,0,0,0|2,0,0]=4 524 B5R0.4 C[N+](C)(C)CI XJ5407 [0,2,0,0,0,0|2,0,0]=4 525 B5R0.4 C[Si](C)(C)CCl LT7112 [0,2,0,0,0,0|1,1,0]=4 526 B5R0.4 C[Si](C)(C)CN YH41576 [0,2,0,0,0,0|1,1,0]=4 527 B5R0.4 C[Si](C)(Cl)CCl LT7108 [0,2,0,0,0,0|1,1,0]=4 528 B5R0.4 ClC(Cl)(Br)CBr LQ0121 [0,2,0,0,0,0|2,0,0]=4 529 B5R0.4 ClCC(Cl)(Cl)Cl XJ0082 [0,2,0,0,0,0|2,0,0]=4 530 B5R0.4 NCC(F)(F)F XJ0721 [0,2,0,0,0,0|2,0,0]=4 531 B5R0.4 NCC(F)(F)F XJ1306 [0,2,0,0,0,0|2,0,0]=4 532 B5R0.4 NCP(=O)(O)O LQ1609 [0,2,0,0,0,0|2,0,0]=4 533 B5R0.4 NCS(=O)(=O)O SY0138 [0,2,0,0,0,0|2,0,0]=4 534 B5R0.4 OCC(Br)(Br)Br JZ4523 [0,2,0,0,0,0|1,0,0]=3 535 B5R0.4 OCC(Br)(Br)Br LQ0120 [0,2,0,0,0,0|1,0,0]=3 536 B5R0.4 OCC(F)(F)F LQ0127 [0,2,0,0,0,0|1,0,0]=3 537 B5R0.4 [2H]OC(C)(C)C RT17778 [0,2,0,0,0,0|2,0,0]=4 538 B5R0.5 BrC(Br)C(Br)Br XJ0078 [0,2,0,0,0,0|2,0,0]=4 539 B5R0.5 C=C(C)C(=O)O XJ0087 [0,2,0,0,0,0|0,0,2]=4 540 B5R0.5 C=C(C)C(C)C LQ1068 [0,2,0,0,0,0|1,0,1]=4 541 B5R0.5 CC(=O)C(C)Br LQ1437 [0,2,0,0,0,0|0,0,2]=4 542 B5R0.5 CC(=O)C(C)S LT2609 [0,2,0,0,0,0|0,0,2]=4 543 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,2,0,0,0,0|1,0,1]=4 544 B5R0.5 CC(Br)C(=O)O LQ1147 [0,2,0,0,0,0|0,0,1]=3 545 B5R0.5 CC(C)B(O)O XJ6433 [0,2,0,0,0,0|1,0,0]=3 546 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,2,0,0,0,0|0,0,2]=4 547 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,2,0,0,0,0|0,0,2]=4 548 B5R0.5 CC(C)C(C)C XJ0079 [0,2,0,0,0,0|1,0,0]=3 549 B5R0.5 CC(C)C(C)N LQ1148 [0,2,0,0,0,0|1,0,0]=3 550 B5R0.5 CC(C)C(C)O LQ1149 [0,2,0,0,0,0|0,0,0]=2 551 B5R0.5 CC(C)C(C)S HL2141 [0,2,0,0,0,0|0,1,0]=3 552 B5R0.5 CC(C)C(N)=O LQ1071 [0,2,0,0,0,0|0,0,2]=4 553 B5R0.5 CC(C)N(=O)=O XJ0090 [0,2,0,0,0,0|1,0,1]=4 554 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,2,0,0,0,0|0,0,2]=4 555 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,2,0,0,0,0|0,0,2]=4 556 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,2,0,0,0,0|0,0,2]=4 557 B5R0.5 CC(O)C(C)O HL1925 [0,2,0,0,0,0|0,0,0]=2 558 B5R0.5 CC(O)C(C)O HL3363 [0,2,0,0,0,0|0,0,0]=2 559 B5R0.5 CC(O)C(C)S LT3134 [0,2,0,0,0,0|0,0,0]=2 560 B5R0.5 CC(S)C(C)S HL2771 [0,2,0,0,0,0|0,1,0]=3 561 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,2,0,0,0,0|0,0,1]=3 562 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,2,0,0,0,0|0,0,1]=3 563 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,2,0,0,0,0|0,0,2]=4 564 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,2,0,0,0,0|0,0,2]=4 565 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,2,0,0,0,0|0,0,1]=3 566 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,2,0,0,0,0|0,0,2]=4 567 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,2,0,0,0,0|0,0,0]=2 568 B5R0.5 O=C(O)C(Br)I RT0702 [0,2,0,0,0,0|1,0,1]=4 569 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,2,0,0,0,0|1,0,1]=4 570 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,2,0,0,0,0|1,0,1]=4 571 B5R0.5 O=C(O)C(Cl)I RT0646 [0,2,0,0,0,0|1,0,1]=4 572 B5R0.5 O=C(O)C(I)I RT0771 [0,2,0,0,0,0|1,0,1]=4 573 B5R0.2 BrCCCCBr RT17667 [0,2,0,0,0,0|1,0,0]=3 574 B5R0.2 BrC\C=C\CBr LT4968 [0,2,0,0,0,0|1,0,1]=4 575 B5R0.2 C#CCCCBr RT0013 [0,2,0,0,0,0|1,0,0]=3 576 B5R0.2 C#CCCCC LQ1326 [0,2,0,0,0,0|1,0,0]=3 577 B5R0.2 C#CCCCO XJ2908 [0,2,0,0,0,0|0,0,0]=2 578 B5R0.2 C#CCCCS RT16516 [0,2,0,0,0,0|0,1,0]=3 579 B5R0.2 C#C\C=C\CO JZ2763 [0,2,0,0,0,0|0,0,2]=4 580 B5R0.2 C=CCCC=C HL0118 [0,2,0,0,0,0|1,0,1]=4 581 B5R0.2 C=CCCCBr XJ1587 [0,2,0,0,0,0|1,0,0]=3 582 B5R0.2 C=CC\C=C\C HL0119 [0,2,0,0,0,0|1,0,1]=4 583 B5R0.2 CCC#CCBr RT0546 [0,2,0,0,0,0|1,0,0]=3 584 B5R0.2 CCCCC#N LL0427 [0,2,0,0,0,0|1,0,0]=3 585 B5R0.2 CCCCCI HL0274 [0,2,0,0,0,0|1,0,0]=3 586 B5R0.2 CCCCNC LL0434 [0,2,0,0,0,0|1,0,0]=3 587 B5R0.2 CCCCSC HL0277 [0,2,0,0,0,0|0,1,0]=3 588 B5R0.2 CCCC[SnH]=O LQ5214 [0,2,0,0,0,0|0,0,1]=3 589 B5R0.2 CCCN=C=O LL0443 [0,2,0,0,0,0|0,0,1]=3 590 B5R0.2 CCCN=C=S HL0278 [0,2,0,0,0,0|0,1,0]=3 591 B5R0.2 CCCOC=O LL0440 [0,2,0,0,0,0|0,0,0]=2 592 B5R0.2 CCCOCCl JZ2364 [0,2,0,0,0,0|0,0,0]=2 593 B5R0.2 CCCSC#N LQ2617 [0,2,0,0,0,0|0,1,0]=3 594 B5R0.2 CCCSCC LT5403 [0,2,0,0,0,0|0,1,0]=3 595 B5R0.2 CCNCCO LL0439 [0,2,0,0,0,0|0,0,0]=2 596 B5R0.2 CCNNCC LQ3339 [0,2,0,0,0,0|1,0,0]=3 597 B5R0.2 CCOCCBr HL0120 [0,2,0,0,0,0|1,0,0]=3 598 B5R0.2 CCOCCCl HL0279 [0,2,0,0,0,0|1,0,0]=3 599 B5R0.2 CCOCCO LL0444 [0,2,0,0,0,0|0,0,0]=2 600 B5R0.2 CCO\C=C\Cl RT17648 [0,2,0,0,0,0|1,0,1]=4 601 B5R0.2 CC\C=C\CC JZ3712 [0,2,0,0,0,0|1,0,0]=3 602 B5R0.2 CNCCNC LL0436 [0,2,0,0,0,0|1,0,0]=3 603 B5R0.2 CNCCOC LQ4938 [0,2,0,0,0,0|0,0,0]=2 604 B5R0.2 COCCC#N LL0433 [0,2,0,0,0,0|0,0,1]=3 605 B5R0.2 COCCC=O YH51649 [0,2,0,0,0,0|0,0,1]=3 606 B5R0.2 COCCCCl LQ4914 [0,2,0,0,0,0|0,0,0]=2 607 B5R0.2 COCCCN LT2986 [0,2,0,0,0,0|0,0,0]=2 608 B5R0.2 CSCCC=O LT3092 [0,2,0,0,0,0|0,0,1]=3 609 B5R0.2 CSCCCN XJ2622 [0,2,0,0,0,0|0,1,0]=3 610 B5R0.2 CSCCCO XJ0883 [0,2,0,0,0,0|0,0,0]=2 611 B5R0.2 CSC\C=N\O LQ3457 [0,2,0,0,0,0|0,0,1]=3 612 B5R0.2 C\C=C\CCC XJ2577 [0,2,0,0,0,0|1,0,0]=3 613 B5R0.2 ClCCCCI XJ3625 [0,2,0,0,0,0|1,0,0]=3 614 B5R0.2 ClCCOCCl HL0847 [0,2,0,0,0,0|1,0,0]=3 615 B5R0.2 ClC\C=C/CCl LT6210 [0,2,0,0,0,0|1,0,1]=4 616 B5R0.2 ClC\C=C\CCl LL0426 [0,2,0,0,0,0|1,0,1]=4 617 B5R0.2 ICCCCI HL0276 [0,2,0,0,0,0|1,0,0]=3 618 B5R0.2 N#CCCCBr XJ2830 [0,2,0,0,0,0|1,0,0]=3 619 B5R0.2 NCCCCCl JZ1120 [0,2,0,0,0,0|1,0,0]=3 620 B5R0.2 NCCCCN LL0428 [0,2,0,0,0,0|1,0,0]=3 621 B5R0.2 NCCCCO XJ3835 [0,2,0,0,0,0|0,0,0]=2 622 B5R0.2 NOCCCS RT0541 [0,2,0,0,0,0|0,0,0]=2 623 B5R0.2 O=C=NCCCl LT6514 [0,2,0,0,0,0|0,0,2]=4 624 B5R0.2 O=CCCC=O YH11511 [0,2,0,0,0,0|0,0,2]=4 625 B5R0.2 OCC#CCCl JZ3715 [0,2,0,0,0,0|0,0,1]=3 626 B5R0.2 OCCCCCl LQ1521 [0,2,0,0,0,0|0,0,0]=2 627 B5R0.2 OCCCCF RT1165 [0,2,0,0,0,0|0,0,0]=2 628 B5R0.2 OCCOCCl RT1169 [0,2,0,0,0,0|0,0,0]=2 629 B5R0.2 OC\C=C\CBr RT1108 [0,2,0,0,0,0|0,0,1]=3 630 B5R0.2 S=C=NCCBr HL0884 [0,2,0,0,0,0|0,1,1]=4 631 B5R0.2 S=C=NCCCl JZ2873 [0,2,0,0,0,0|0,1,1]=4 632 B3R1.1 C1CS1 LL0755 [1,0,0,1,0,0|0,1,0]=3 633 B5R1.2 BrC1CCC1 LT7156 [0,1,0,1,0,0|1,0,0]=3 634 B5R1.2 FC1CNC1 RT4119 [0,1,0,1,0,0|1,0,0]=3 635 B5R1.2 FC1CNC1 YH65878 [0,1,0,1,0,0|1,0,0]=3 636 B5R1.2 IC1COC1 YH65509 [0,1,0,1,0,0|0,0,0]=2 637 B5R1.2 NC1COC1 LQ4263 [0,1,0,1,0,0|0,0,0]=2 638 B5R1.2 NC1COC1 YH65543 [0,1,0,1,0,0|0,0,0]=2 639 B5R1.2 O=C1CCC1 LT7155 [0,1,0,1,0,0|0,0,1]=3 640 B5R1.2 O=C1CNC1 LQ4009 [0,1,0,1,0,0|0,0,2]=4 641 B5R1.2 O=C1COC1 LQ3137 [0,1,0,1,0,0|0,0,1]=3 642 B5R1.2 O=C1CSC1 YH65134 [0,1,0,1,0,0|0,0,2]=4 643 B5R1.2 OC1CCC1 JZ2141 [0,1,0,1,0,0|0,0,0]=2 644 B5R1.2 OC1CNC1 LQ5145 [0,1,0,1,0,0|0,0,0]=2 645 B5R1.2 OC1CNC1 LX2402 [0,1,0,1,0,0|0,0,0]=2 646 B5R1.2 OC1COC1 JZ3200 [0,1,0,1,0,0|0,0,0]=2 647 B5R1.3 BrCC1CC1 LT6195 [0,1,0,1,0,0|1,0,0]=3 648 B5R1.3 BrCC1CO1 LQ2403 [0,1,0,1,0,0|0,0,0]=2 649 B5R1.3 Br[Mg]C1CC1 XJ4727 [0,1,0,1,0,0|1,0,0]=3 650 B5R1.3 C=CC1CO1 LQ1542 [0,1,0,1,0,0|0,0,1]=3 651 B5R1.3 CNC1CC1 YH13207 [0,1,0,1,0,0|1,0,0]=3 652 B5R1.3 ClCC1CO1 RT15055 [0,1,0,1,0,0|0,0,0]=2 653 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,1,0,1,0,0|0,0,0]=2 654 B5R1.3 N#CC1CO1 RT14822 [0,1,0,1,0,0|0,0,1]=3 655 B5R1.3 NCC1CC1 HL2308 [0,1,0,1,0,0|1,0,0]=3 656 B5R1.3 O=CC1CC1 HL0901 [0,1,0,1,0,0|0,0,1]=3 657 B5R1.3 OCC1CC1 LT7741 [0,1,0,1,0,0|0,0,0]=2 658 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,1,0,1,0,0|0,0,0]=2 659 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,1,0,1,0,0|0,0,0]=2 660 B5R1.4 CC1OC1C XJ2416 [0,1,0,1,0,0|0,0,0]=2 661 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,1,0,1,0,0|0,0,0]=2 662 B5R1.1 C1=CCNC1 LL0398 [0,1,0,1,0,0|1,0,1]=4 663 B5R1.1 C1=CCNC1 YH11319 [0,1,0,1,0,0|1,0,1]=4 664 B5R1.1 C1=COCC1 RT14584 [0,1,0,1,0,0|0,0,1]=3 665 B5R1.1 C1=NCCO1 XJ4908 [0,1,0,1,0,0|0,0,1]=3 666 B5R1.1 C1CCCC1 LT4684 [0,1,0,1,0,0|1,0,0]=3 667 B5R1.1 C1CCCC1 LT5516 [0,1,0,1,0,0|1,0,0]=3 668 B5R1.1 C1CCCC1 XJ1692 [0,1,0,1,0,0|1,0,0]=3 669 B5R1.1 C1CCNC1 JZ1776 [0,1,0,1,0,0|1,0,0]=3 670 B5R1.1 C1CCOC1 JZ5471 [0,1,0,1,0,0|0,0,0]=2 671 B5R1.1 C1CCOC1 LL0399 [0,1,0,1,0,0|0,0,0]=2 672 B5R1.1 C1CCOC1 LQ4465 [0,1,0,1,0,0|0,0,0]=2 673 B5R1.1 C1CNCN1 XJ0880 [0,1,0,1,0,0|1,0,0]=3 674 B5R1.1 C1COCN1 RT14144 [0,1,0,1,0,0|0,0,0]=2