0 B4R0.1 C=C(C)[Mg]Br OR320150 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=CB(O)O OR361683 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 CC(=O)CF PC3356 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)NO BIA1030 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(C)[Mg]Br OR320104 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(C)[Mg]Cl OR320108 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(F)CF PC7149 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(F)CO PC1014 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 CC(O)CF PC7229 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(O)CO OR5249 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.1 CC=C(F)F PC5668 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CCC(C)F PC408041 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CCC(C)N OR5233 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CCC(F)F PC2405 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CNC(C)=S OR322821 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 COC(F)F PC7155 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 CS[S+](C)C PC7613 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 C[C@@H](F)CO PC6608 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C[C@@H](O)CO OR307150 [0,0,0,0,0,0|1,0,2]=3 19 B4R0.1 C[C@H](F)CO PC6609 [0,0,0,0,0,0|1,0,2]=3 20 B4R0.1 C[C@H](O)CO OR307151 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 C\C(Br)=C/F PC52100 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C\C(F)=C\Cl PC1026 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 FC(Cl)=CCl PC2420 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 FC(F)=CBr PC1390 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 FC(F)=CCl PC1780 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 FC(F)CI PC1038 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 FC=C(Br)Br PC4362 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 FC=C(F)Br PC1243 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 FC=C(F)Cl PC3774 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 FC=C(F)F PC7360 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 FCC(F)F PC7300 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 F\C(Br)=C/Br PC4364 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 N#CC(F)F PC4811 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 N#CC(F)I PC3637 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 NCC(F)F PC0806 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 NCC(F)F PC9627 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 OCC(F)F PC2805 [0,0,0,0,0,0|2,0,2]=4 38 B3R0.1 C#CCF PC53334 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 C#CC[NH3+] OR27447 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 C=CCF PC4179Y [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 C=C[Mg]Br OR320072 [1,0,0,0,0,0|3,0,0]=4 42 B3R0.1 C=C[Mg]Br OR320073 [1,0,0,0,0,0|3,0,0]=4 43 B3R0.1 CCCF PC0911 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 CC[Mg]Br OR320087 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 CC[Mg]Br OR320088 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 CC[Mg]Br OR320089 [1,0,0,0,0,0|2,0,0]=3 47 B3R0.1 CC[Mg]Br OR320090 [1,0,0,0,0,0|2,0,0]=3 48 B3R0.1 CC[Mg]Br OR320092 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 CC[Mg]Br OR320093 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 CC[Mg]Cl OR320095 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 CC[Mg]Cl OR320096 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 CC[Mg]Cl OR320097 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 CC[Mg]Cl OR320098 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 CC[Mg]Cl OR320099 [1,0,0,0,0,0|2,0,0]=3 55 B3R0.1 C\C=C\F PC52099 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.1 FC=CCl PC1866 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 FC=CF PC0287 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 FCCF PC7081 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 FCCI PC0560 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 F\C=C/Br PC6672 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 F\C=C/Cl PC49016 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.1 F\C=C/F PC3792 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.1 F\C=C\Cl PC49015 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.1 F\C=C\F PC52111 [1,0,0,0,0,0|2,0,1]=4 65 B3R0.1 N#CCF PC1550 [1,0,0,0,0,0|2,0,1]=4 66 B3R0.1 NCCCl OR0986 [1,0,0,0,0,0|2,0,1]=4 67 B3R0.1 NCCF PC3677 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.1 NCCS OR322565 [1,0,0,0,0,0|1,1,1]=4 69 B3R0.2 C=C(C)F PC2703 [1,0,0,0,0,0|1,0,1]=3 70 B3R0.2 C=C(F)Br PC9606 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.2 C=C(F)Cl PC1865 [1,0,0,0,0,0|2,0,1]=4 72 B3R0.2 C=C(F)F PC2810 [1,0,0,0,0,0|2,0,1]=4 73 B3R0.2 CC(C)F PC4179T [1,0,0,0,0,0|1,0,0]=2 74 B3R0.2 CC(F)F PC2800 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.2 FC(F)F PC7400 [1,0,0,0,0,0|3,0,0]=4 76 B3R0.2 FC(F)I PC1283 [1,0,0,0,0,0|3,0,0]=4 77 B3R0.2 FC(F)I PC49177 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 C=CCC(C)N OR55255 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.1 C=CC[C@@H](C)O OR304050 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 CC(Br)CC#N OR322122 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CC(Br)CCBr OR9604 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 CC(C)=CC=O OR315230 [0,1,0,0,0,0|0,0,1]=2 83 B5R0.1 CC(C)C[Mg]Br OR320117 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 CC(C)C[Mg]Br OR320118 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 CC(C)C[Mg]Cl OR320119 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 CC(C)C[Mg]Cl OR320120 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.1 CC(C)C[Mg]Cl OR320121 [0,1,0,0,0,0|1,0,1]=3 88 B5R0.1 CCCC(C)O OR460068 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.1 CCC[C@@H](C)O OR304039 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 CCC[C@H](C)O OR304040 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 CN(C)CCO OR322433 [0,1,0,0,0,0|1,0,2]=4 92 B5R0.1 COC[C@@H](C)O OR304070 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.1 COC[C@H](C)O OR304071 [0,1,0,0,0,0|1,0,2]=4 94 B5R0.1 C[C@@H](O)CC#N OR304062 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 C[C@@H](O)CCN OR304064 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 C[C@H](O)CC#N OR304063 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 C[C@H](O)CCN OR304065 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 C[C@H](O)CCO OR315271 [0,1,0,0,0,0|1,0,2]=4 99 B5R0.1 FC=CC(F)F PC6240 [0,1,0,0,0,0|3,0,0]=4 100 B5R0.3 C#CC(O)CC OR2042 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.3 C=CC(C)ON OR471531 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.3 C=CC(C)[Mg]Cl OR320153 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.3 CC(CO)NN OR015020 [0,1,0,0,0,0|2,0,0]=3 104 B5R0.3 CCC(C)[Mg]Cl OR320122 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.3 CCC(C)[Mg]Cl OR320123 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.3 CNC(C)CO OR301204 [0,1,0,0,0,0|0,0,2]=3 107 B5R0.3 C\C=C(\C)[Mg]Br OR320152 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.3 FC=C(F)CF PC6245 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.3 FCC(F)CF PC9621 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.3 N#CC(Br)CBr OR4898 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.3 NCC(Br)CBr OR470059 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.3 NC[C@@H](O)CO OR315176 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.3 O=C\C(F)=C\[O-] PC51104 [0,1,0,0,0,0|1,0,2]=4 114 B5R0.3 OC(CF)CBr PC2445 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 OC(CF)CCl PC1868M [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 OC(CF)CF PC2878 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.3 OCC(O)CF PC409017 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.3 OC[C@@H](O)CCl OR315174 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.3 OC[C@H](O)CCl OR315175 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.4 C=CC(F)(F)Br PC1394 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.4 C=CC(F)(F)Cl PC53102 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.4 C=CC(F)(F)F PC7820 [0,1,0,0,0,0|3,0,0]=4 123 B5R0.4 CC(C)(C)CO OR322097 [0,1,0,0,0,0|0,0,2]=3 124 B5R0.4 CC(C)(C)[Mg]Cl OR320124 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.4 CC(C)(C)[Mg]Cl OR320125 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.4 CC(C)(F)CBr PC2438 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.4 CC(C)(F)CI PC510283 [0,1,0,0,0,0|1,0,1]=3 128 B5R0.4 CC(C)(F)CO PC53095 [0,1,0,0,0,0|0,0,2]=3 129 B5R0.4 CC(C)(N)CF PC7908 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.4 CC(C)(O)CF PC56325 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.4 CC(Cl)(Cl)CCl OR460037 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.4 CC(F)(F)C#N PC56045 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.4 CC(F)(F)CF PC5568 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.4 CC(F)(F)CN PC9057 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.4 CC(F)(F)CO PC1247 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.4 CCC(C)(F)F PC450284 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.4 C[Si](C)(C)CO OR322469 [0,1,0,0,0,0|0,1,2]=4 138 B5R0.4 O=CC(F)(F)F PC7130 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.5 C=C(Cl)C(=O)[O-] OR2895 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.5 C=C(F)C(=O)O PC4962 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.5 C=C(F)C(F)F PC5756 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.5 CC(=O)C(C)F PC9588 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.5 CC(=O)C(F)F PC1013 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.5 CC(C)C(C)N OR5236 [0,1,0,0,0,0|1,0,1]=3 145 B5R0.5 CC(C)C(N)=S OR346256 [0,1,0,0,0,0|0,1,0]=2 146 B5R0.5 CC(F)C(=O)O PC1057 [0,1,0,0,0,0|1,0,0]=2 147 B5R0.5 CC(F)C(C)I PC56278 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.5 CN(C)C(=N)N OR300899 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.5 CN(C)C(=S)S OR53175 [0,1,0,0,0,0|1,1,0]=3 150 B5R0.5 CN(C)C(F)F PC408129 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.5 NC(=O)C(F)Br PC9604 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.5 NC(=O)C(F)Cl PC4293 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.5 NC(=O)C(F)F PC4051 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.5 NC(=O)C(F)I PC5583 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.5 O=C(Cl)C(F)Cl PC4216 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.5 O=C(Cl)C(F)F PC9051 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.5 O=C(F)C(=O)F PC5364 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.5 O=C(O)C(F)Br PC6862 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.5 O=C(O)C(F)Cl PC1148 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.5 O=C(O)C(F)F PC2570 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.5 O=C(O)C(F)I PC0992 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.5 O=C([O-])C(F)Br PC3375 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.5 O=C([O-])C(F)Cl PC3376 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.5 O=C([O-])C(F)F PC408095 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.5 O=C([O-])C(F)F PC5514 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.5 O=C([O-])C(F)I PC3377 [0,1,0,0,0,0|2,0,0]=3 167 B5R1.2 CC1CCN1 OR451005 [0,0,0,1,0,0|2,0,0]=3 168 B5R1.2 CC1CCO1 OR309061 [0,0,0,1,0,0|2,0,0]=3 169 B5R1.2 CC1CNC1 OR309000 [0,0,0,1,0,0|1,0,1]=3 170 B5R1.2 CC1COC1 OR309110 [0,0,0,1,0,0|0,0,2]=3 171 B5R1.2 ClC1CCC1 OR322240 [0,0,0,1,0,0|2,0,1]=4 172 B5R1.2 ClC1CNC1 OR309001 [0,0,0,1,0,0|2,0,1]=4 173 B5R1.2 ClC1COC1 OR309091 [0,0,0,1,0,0|1,0,2]=4 174 B5R1.2 FC1CNC1 PC8943 [0,0,0,1,0,0|2,0,1]=4 175 B5R1.2 FC1COC1 PC406000 [0,0,0,1,0,0|1,0,2]=4 176 B5R1.2 IC1COC1 OR308004 [0,0,0,1,0,0|1,0,2]=4 177 B5R1.2 NC1CCC1 OR322423 [0,0,0,1,0,0|2,0,1]=4 178 B5R1.2 NC1CNC1 OR309033 [0,0,0,1,0,0|2,0,1]=4 179 B5R1.2 NC1CNC1 OR315569 [0,0,0,1,0,0|2,0,1]=4 180 B5R1.2 NC1COC1 OR302131 [0,0,0,1,0,0|1,0,2]=4 181 B5R1.2 NC1CSC1 OR315565 [0,0,0,1,0,0|1,1,1]=4 182 B5R1.2 SC1COC1 OR317034 [0,0,0,1,0,0|1,0,2]=4 183 B5R1.3 Br[Mg]C1CC1 OR320109 [0,0,0,1,0,0|2,0,0]=3 184 B5R1.3 Br[Mg]C1CC1 OR320110 [0,0,0,1,0,0|2,0,0]=3 185 B5R1.3 C=C[C@@H]1CO1 OR315320 [0,0,0,1,0,0|2,0,0]=3 186 B5R1.3 C=C[C@H]1CO1 OR315281 [0,0,0,1,0,0|2,0,0]=3 187 B5R1.3 FCC1CO1 PC3158 [0,0,0,1,0,0|2,0,1]=4 188 B5R1.3 ICC1CO1 OR302747 [0,0,0,1,0,0|2,0,1]=4 189 B5R1.4 C[C@@H]1O[C@H]1C OR322036 [0,0,0,1,0,0|2,0,1]=4 190 B2R0.1 C=CF PC8000 [2,0,0,0,0,0|1,0,1]=4 191 B2R0.1 CCF PC3206 [2,0,0,0,0,0|1,0,0]=3 192 B2R0.1 COC PC48443 [2,0,0,0,0,0|1,0,0]=3 193 B2R0.1 C[Mg]Br OR320079 [2,0,0,0,0,0|2,0,0]=4 194 B2R0.1 C[Mg]Br OR320080 [2,0,0,0,0,0|2,0,0]=4 195 B2R0.1 C[Mg]Br OR320081 [2,0,0,0,0,0|2,0,0]=4 196 B2R0.1 C[Mg]Br OR320082 [2,0,0,0,0,0|2,0,0]=4 197 B2R0.1 C[Mg]Cl OR320083 [2,0,0,0,0,0|2,0,0]=4 198 B2R0.1 C[Mg]Cl OR320085 [2,0,0,0,0,0|2,0,0]=4 199 B2R0.1 C[Mg]I OR320076 [2,0,0,0,0,0|2,0,0]=4 200 B2R0.1 FCF PC2845 [2,0,0,0,0,0|2,0,0]=4 201 B2R0.1 FCI PC56130 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.2 C=CCCN OR302284 [1,1,0,0,0,0|1,0,0]=3 203 B4R0.2 C=CCOC OR30434 [1,1,0,0,0,0|1,0,0]=3 204 B4R0.2 C=CC[Mg]Br OR320142 [1,1,0,0,0,0|2,0,0]=4 205 B4R0.2 C=CC[Mg]Cl OR320145 [1,1,0,0,0,0|2,0,0]=4 206 B4R0.2 CCCCF PC9870 [1,1,0,0,0,0|1,0,1]=4 207 B4R0.2 CCCNC OR345163 [1,1,0,0,0,0|1,0,1]=4 208 B4R0.2 CCC[Mg]Br OR320100 [1,1,0,0,0,0|1,0,1]=4 209 B4R0.2 CCC[Mg]Br OR320101 [1,1,0,0,0,0|1,0,1]=4 210 B4R0.2 CCC[Mg]Cl OR320102 [1,1,0,0,0,0|1,0,1]=4 211 B4R0.2 CCC[Mg]Cl OR320103 [1,1,0,0,0,0|1,0,1]=4 212 B4R0.2 CCNNC OR315348 [1,1,0,0,0,0|2,0,0]=4 213 B4R0.2 CNCC#N OR322050 [1,1,0,0,0,0|1,0,1]=4 214 B4R0.2 C\C=C\CC OR8524 [1,1,0,0,0,0|1,0,0]=3 215 B4R0.2 C\C=C\[Mg]Br OR320151 [1,1,0,0,0,0|1,0,1]=4 216 B4R0.2 ClC=CCCl OR1948 [1,1,0,0,0,0|1,0,1]=4 217 B4R0.2 FCCCF PC2877B [1,1,0,0,0,0|1,0,1]=4 218 B4R0.2 FCCCI PC1027 [1,1,0,0,0,0|1,0,1]=4 219 B4R0.2 F\C=C\CF PC5737 [1,1,0,0,0,0|1,0,1]=4 220 B4R0.2 NCCCCl OR10945 [1,1,0,0,0,0|1,0,1]=4 221 B4R0.2 NCCCF PC52117 [1,1,0,0,0,0|1,0,1]=4 222 B4R0.2 NCCCF PC8996 [1,1,0,0,0,0|1,0,1]=4 223 B4R0.2 OCCCF PC1281 [1,1,0,0,0,0|0,0,2]=4 224 B4R0.2 OCCCO OR0974 [1,1,0,0,0,0|0,0,2]=4 225 B4R0.3 CC(C)(C)F PC450137 [1,1,0,0,0,0|0,0,1]=3 226 B4R0.3 CC(C)(F)F PC2877E [1,1,0,0,0,0|1,0,0]=3 227 B4R0.3 CC(F)(F)F PC7298 [1,1,0,0,0,0|2,0,0]=4 228 B4R0.3 C[N+](C)(C)C PC450179 [1,1,0,0,0,0|1,0,1]=4 229 B4R0.3 C[N+](C)(C)C PC53546 [1,1,0,0,0,0|1,0,1]=4 230 B4R0.3 C[N+](C)(C)C PC5687 [1,1,0,0,0,0|1,0,1]=4 231 B4R0.3 C[N+](C)(C)C PC6938 [1,1,0,0,0,0|1,0,1]=4 232 B4R0.3 C[N+](C)(C)N OR30007 [1,1,0,0,0,0|1,0,1]=4 233 B4R0.3 C[P+](C)(C)C OR23478 [1,1,0,0,0,0|1,0,1]=4 234 B4R0.3 C[Si](C)(C)F PC7860 [1,1,0,0,0,0|0,1,1]=4 235 B4R0.3 C[Si](C)(F)F PC3010 [1,1,0,0,0,0|1,1,0]=4 236 B6R0.1 C=CC[C@@H](O)CCl OR304089 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.1 C=CC[C@H](O)CCl OR304090 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.1 CCC(C)SC#N OR1959 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.1 CN(C=O)CCO OR471488 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.2 CC(=O)OC(C)Cl OR311234 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.2 CC(C)=CB(O)O OR360167 [0,2,0,0,0,0|0,0,2]=4 242 B6R0.2 CC(C)C[C@@H](C)O OR304054 [0,2,0,0,0,0|0,0,2]=4 243 B6R0.2 CC(C)C[C@H](C)O OR304055 [0,2,0,0,0,0|0,0,2]=4 244 B6R0.2 CC(C)NC(N)=O OR54393 [0,2,0,0,0,0|0,0,0]=2 245 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.2 CN(C)CC(N)=S OR315053 [0,2,0,0,0,0|1,1,0]=4 247 B6R0.3 CCC(=O)C(F)F PC450496 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.3 CN(C)C(=O)CCl OR49017 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.3 CN(C)C(=S)S[K] OR9120 [0,2,0,0,0,0|1,1,0]=4 250 B6R0.3 CNC(=O)C(F)Br PC5594 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.3 CNC(=O)C(F)Cl PC5596 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.3 CNC(=O)C(F)I PC5599 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.3 COC(=O)C(C)C OR323296 [0,2,0,0,0,0|0,0,0]=2 254 B6R0.3 COC(=O)C(C)F PC19689 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.3 COC(=O)C(F)F PC5075 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.3 COC(=O)[C@@H](C)Cl OR322358 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.3 COC(=O)[C@@H](C)F PC450159 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.3 COC(=O)[C@H](C)F PC450044 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.3 CO[C@H](C)C(=O)O OR302445 [0,2,0,0,0,0|0,0,0]=2 260 B6R0.3 NC(CF)C(=O)O PC3379 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.3 NCC(F)C(=O)O PC3387E [0,2,0,0,0,0|1,0,0]=3 262 B6R0.3 NC[C@H](N)C(=O)O OR5495 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.3 O=C([O-])C(=O)CF PC4205 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.4 C=CCC[C@H](C)O OR304053 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.4 CC(=O)OCC=O OR30432 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.4 CC(C)CCCCl OR22928 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.4 CC(C)NCC#N OR25099 [0,2,0,0,0,0|1,0,1]=4 268 B6R0.5 CC(C)(N)CCO OR471003 [0,2,0,0,0,0|0,0,2]=4 269 B6R0.5 O=CCC(F)(F)F PC49156 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.8 CC(O)(CF)CF PC56327 [0,2,0,0,0,0|1,0,1]=4 271 B6R0.9 CCC(CC)[Mg]Br OR320131 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.7 CC(=O)C(F)(F)Cl PC450267 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.7 CC(=O)C(F)(F)F PC7180 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.7 CC(C)(C)C(=O)O OR322364 [0,2,0,0,0,0|0,0,0]=2 275 B6R0.7 CC(C)(C)C(N)=O OR30100 [0,2,0,0,0,0|0,0,0]=2 276 B6R0.7 CC(C)(F)C(=O)Cl PC01536 [0,2,0,0,0,0|0,0,0]=2 277 B6R0.7 CC(C)(F)C(=O)O PC8763 [0,2,0,0,0,0|0,0,0]=2 278 B6R0.7 CC(C)(O)C(F)F PC56324 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.7 CC(C)[B-](F)(F)F PC909044 [0,2,0,0,0,0|2,0,0]=4 280 B6R0.7 CC(F)(Br)C(=O)O PC51071 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.7 CC(F)(F)C(=O)O PC9834 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.7 CC(F)(F)C(=O)[O-] PC450283 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.7 CC(F)(F)C(N)=O PC1164 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.7 NC(=O)C(F)(Br)Br PC8997 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.7 NC(=O)C(F)(F)Br PC9895 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.7 NC(=O)C(F)(F)Cl PC1730 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.7 NC(=O)C(F)(F)F PC7150 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.7 O=C(Br)C(F)(F)Br PC8341 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.7 O=C(Br)C(F)(F)Cl PC9126 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.7 O=C(Cl)C(F)(F)Br PC6436 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.7 O=C(Cl)C(F)(F)Cl PC1753J [0,2,0,0,0,0|2,0,0]=4 292 B6R0.7 O=C(F)C(F)(F)Br PC0602 [0,2,0,0,0,0|2,0,0]=4 293 B6R0.7 O=C(F)C(F)(F)Cl PC2565 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.7 O=C(F)C(F)(F)I PC4846 [0,2,0,0,0,0|2,0,0]=4 295 B6R0.7 O=C(O)C(F)(Br)Br PC2253M [0,2,0,0,0,0|2,0,0]=4 296 B6R0.7 O=C(O)C(F)(Cl)Cl PC408090 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.7 O=C(O)C(F)(F)Br PC5574 [0,2,0,0,0,0|2,0,0]=4 298 B6R0.7 O=C(O)C(F)(F)Cl PC1740 [0,2,0,0,0,0|2,0,0]=4 299 B6R0.7 O=C(O)C(F)(F)F PC7160 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.7 O=C(O)C(F)(F)F PC7160A [0,2,0,0,0,0|2,0,0]=4 301 B6R0.7 O=C(O)C(F)(F)F PC7161 [0,2,0,0,0,0|2,0,0]=4 302 B6R0.7 O=C(O)C(F)(F)F PC7161A [0,2,0,0,0,0|2,0,0]=4 303 B6R0.7 O=C(O)C(F)(F)F PC8841 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.7 O=C(O)C(F)(F)I PC408091 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.7 O=C([O-])C(F)(Cl)Cl PC450243 [0,2,0,0,0,0|2,0,0]=4 306 B6R0.7 O=C([O-])C(F)(F)Br PC3374 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.7 O=C([O-])C(F)(F)Br PC6410 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.7 O=C([O-])C(F)(F)Cl PC6460 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.7 O=C([O-])C(F)(F)F PC1113 [0,2,0,0,0,0|2,0,0]=4 310 B6R0.7 O=C([O-])C(F)(F)F PC1976 [0,2,0,0,0,0|2,0,0]=4 311 B6R0.7 O=C([O-])C(F)(F)F PC2078E [0,2,0,0,0,0|2,0,0]=4 312 B6R0.7 O=C([O-])C(F)(F)F PC4872 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.7 O=C([O-])C(F)(F)F PC5011 [0,2,0,0,0,0|2,0,0]=4 314 B6R0.7 O=C([O-])C(F)(F)F PC5367 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.7 O=C([O-])C(F)(F)F PC6440 [0,2,0,0,0,0|2,0,0]=4 316 B6R0.7 O=C([O-])C(F)(F)F PC6570 [0,2,0,0,0,0|2,0,0]=4 317 B6R0.7 O=[13C]([O-])[13C](F)(F)F PC49255T [0,2,0,0,0,0|2,0,0]=4 318 B4R1.1 C1COC1 OR309051 [1,0,0,1,0,0|0,0,2]=4 319 B6R1.2 CC1NCCS1 OR322127 [0,1,0,1,0,0|2,0,0]=4 320 B6R1.2 CC1OCCO1 OR460067 [0,1,0,1,0,0|2,0,0]=4 321 B6R1.3 NNCC1CC1 OR306202 [0,1,0,1,0,0|1,0,1]=4 322 B6R1.5 CC1CC(C)O1 OR309079 [0,1,0,1,0,0|1,0,1]=4 323 B6R1.5 O=C1CC(Br)C1 OR317105 [0,1,0,1,0,0|1,0,0]=3 324 B6R1.10 CC1(C)CCO1 OR309065 [0,1,0,1,0,0|0,0,2]=4 325 B6R1.10 CC1(F)CNC1 PC420023 [0,1,0,1,0,0|1,0,1]=4 326 B6R1.10 CC1(N)CNC1 OR451000 [0,1,0,1,0,0|1,0,1]=4 327 B6R1.10 CC1(N)COC1 OR306108 [0,1,0,1,0,0|0,0,2]=4 328 B6R1.10 CC1(N)COC1 OR308009 [0,1,0,1,0,0|0,0,2]=4 329 B6R1.10 CC1(O)CNC1 OR308021 [0,1,0,1,0,0|1,0,1]=4 330 B6R1.10 CC1(O)COC1 OR309102 [0,1,0,1,0,0|0,0,2]=4 331 B6R1.11 NC(=S)C1CC1 OR315182 [0,1,0,1,0,0|0,1,0]=3 332 B6R1.6 CNC1CNC1 OR309009 [0,1,0,1,0,0|1,0,1]=4 333 B6R1.6 CNC1CNC1 OR317192 [0,1,0,1,0,0|1,0,1]=4 334 B6R1.6 COC1COC1 OR309105 [0,1,0,1,0,0|0,0,2]=4 335 B6R1.6 CSC1CNC1 OR317168 [0,1,0,1,0,0|1,0,1]=4 336 B6R1.6 ClCC1CCO1 OR309081 [0,1,0,1,0,0|1,0,1]=4 337 B6R1.6 ICC1CCO1 OR309082 [0,1,0,1,0,0|1,0,1]=4 338 B6R1.6 ICC1COC1 OR309103 [0,1,0,1,0,0|0,0,2]=4 339 B6R1.6 NCC1CCN1 OR309046 [0,1,0,1,0,0|1,0,1]=4 340 B6R1.6 NCC1CNC1 OR309035 [0,1,0,1,0,0|1,0,1]=4 341 B6R1.6 NCC1COC1 OR308007 [0,1,0,1,0,0|0,0,2]=4 342 B6R1.6 NCC1CSC1 OR312063 [0,1,0,1,0,0|0,1,1]=4 343 B6R1.6 NNC1CCC1 OR306281 [0,1,0,1,0,0|2,0,0]=4 344 B6R1.6 OCC1CCO1 OR308011 [0,1,0,1,0,0|0,0,2]=4 345 B6R1.6 OCC1CNC1 OR309042 [0,1,0,1,0,0|0,0,2]=4 346 B6R1.6 OC[C@@H]1CCN1 OR317201 [0,1,0,1,0,0|0,0,2]=4 347 B6R1.7 NC1(CO)CC1 OR301153 [0,1,0,1,0,0|0,0,2]=4