0 B5R0.3 C#CC(O)CC OR2042 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=CC(C)ON OR471531 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=CC(C)[Mg]Cl OR320153 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CC(CO)NN OR015020 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CCC(C)[Mg]Cl OR320122 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CCC(C)[Mg]Cl OR320123 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 CC\C(N)=N\O OR346280 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CNC(C)CO OR301204 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 C\C=C(\C)[Mg]Br OR320152 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 FC=C(F)CF PC6245 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 FCC(F)CF PC9621 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 N#CC(Br)CBr OR4898 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 NCC(Br)CBr OR470059 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 NC[C@@H](O)CO OR315176 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 O=C\C(F)=C\[O-] PC51104 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 OC(CF)CBr PC2445 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 OC(CF)CCl PC1868M [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 OC(CF)CF PC2878 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 OCC(O)CF PC409017 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 OC[C@@H](O)CCl OR315174 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 OC[C@H](O)CCl OR315175 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C=C(C)[Mg]Br OR320150 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C=C(Cl)CBr OR53069 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C=C(Cl)CF PC1025 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=C(F)CBr PC450149 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C=C(F)CCl PC3775 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C=C(F)CO PC49591 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(=O)CF PC3356 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(=O)NO BIA1030 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(C)[Mg]Br OR320104 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CC(C)[Mg]Cl OR320108 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(F)CF PC7149 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(F)CO PC1014 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(O)CF PC7229 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(O)CO OR5249 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CCC(=O)F PC3875 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CCC(C)F PC408041 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CCC(C)N OR5233 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CCC(F)F PC2405 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CNC(C)=S OR322821 [1,0,0,0,0,0|1,1,1]=4 40 B4R0.1 COC(F)F PC7155 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CS[S+](C)C PC7613 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 C[C@@H](F)CO PC6608 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 C[C@@H](O)CO OR307150 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 C[C@H](F)CO PC6609 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 C[C@H](O)CO OR307151 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 C\C(Br)=C/F PC52100 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C\C(F)=C\Cl PC1026 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 FC(F)CI PC1038 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 FCC(F)F PC7300 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 NCC(F)F PC0806 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 NCC(F)F PC9627 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 O=C(F)CCl PC2527 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 OCC(F)F PC2805 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 C=CCCN OR302284 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.2 C=CCOC OR30434 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 C=CC[Mg]Br OR320142 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 C=CC[Mg]Cl OR320145 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 CCCCF PC9870 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.2 CCCNC OR345163 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.2 CCC[Mg]Br OR320100 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 CCC[Mg]Br OR320101 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 CCC[Mg]Cl OR320102 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 CCC[Mg]Cl OR320103 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 CCNNC OR315348 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 CNCC#N OR322050 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 C\C=C\CC OR8524 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 ClC=CCCl OR1948 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 FCCCF PC2877B [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 FCCCI PC1027 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 F\C=C\CF PC5737 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 NCCCCl OR10945 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 NCCCF PC52117 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 NCCCF PC8996 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 OCCCF PC1281 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 OCCCO OR0974 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.1 C=CC[C@@H](O)CCl OR304089 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 C=CC[C@H](O)CCl OR304090 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.1 CCC(C)SC#N OR1959 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.1 CCCC(Br)CC OR322159 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 CCCC(N)C#N OR322614 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.1 CCCC(O)CC OR10019 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 CCC[C@@H](N)CO OR316037 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.1 CCC[C@@H](O)CCl OR304099 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 CCC[C@H](N)CO OR316038 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.1 CCC[C@H](O)CCl OR304100 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 CN(C=O)CCO OR471488 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 CCC(Br)C(C)Br OR460065 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CCC(F)=C(F)F PC6458 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CO[C@H](C)C(=O)O OR302445 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 NC(CF)C(=O)O PC3379 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 NCC(F)C(=O)O PC3387E [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 NC[C@H](N)C(=O)O OR5495 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 O=C([O-])C(=O)CF PC4205 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.8 CC(O)(CF)CF PC56327 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.9 CCC(CC)[Mg]Br OR320131 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.9 CCN(CC)CC OR322028 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.9 CCN(CC)CC PC0945 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.9 CCN(CC)CC PC11105 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.9 CC[O+](CC)CC PC7110 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.9 CC[O+](CC)CC PC9262 [0,1,0,0,0,0|2,0,1]=4 101 B6R1.2 BrC1CCNC1 OR315575 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 CC1=NCCC1 OR30528 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.2 CC1NCCS1 OR322127 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 CC1OCCO1 OR460067 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 FC1CCCC1 PC3147 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 FC1CCNC1 PC405007 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 F[C@@H]1CCNC1 PC3455 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 F[C@H]1CCNC1 PC6738 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 N[C@H]1CCNC1 OR4631 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.6 CNC1CNC1 OR309009 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.6 CNC1CNC1 OR317192 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.6 COC1COC1 OR309105 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.6 CSC1CNC1 OR317168 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.6 ClCC1CCO1 OR309081 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.6 ICC1CCO1 OR309082 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.6 ICC1COC1 OR309103 [0,0,0,1,0,0|1,0,2]=4 117 B6R1.6 NCC1CCN1 OR309046 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.6 NCC1CNC1 OR309035 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.6 NCC1COC1 OR308007 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.6 NCC1CSC1 OR312063 [0,0,0,1,0,0|1,1,1]=4 121 B6R1.6 NNC1CCC1 OR306281 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.6 OCC1CCO1 OR308011 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.6 OCC1CNC1 OR309042 [0,0,0,1,0,0|1,0,2]=4 124 B6R1.6 OC[C@@H]1CCN1 OR317201 [0,0,0,1,0,0|1,0,2]=4 125 B6R1.7 NC1(CO)CC1 OR301153 [0,0,0,1,0,0|1,0,2]=4 126 B3R0.1 C=CCF PC4179Y [2,0,0,0,0,0|1,0,1]=4 127 B3R0.1 CCCF PC0911 [2,0,0,0,0,0|1,0,0]=3 128 B3R0.1 CC[Mg]Br OR320087 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.1 CC[Mg]Br OR320088 [2,0,0,0,0,0|2,0,0]=4 130 B3R0.1 CC[Mg]Br OR320089 [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 CC[Mg]Br OR320090 [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 CC[Mg]Br OR320092 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.1 CC[Mg]Br OR320093 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.1 CC[Mg]Cl OR320095 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 CC[Mg]Cl OR320096 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.1 CC[Mg]Cl OR320097 [2,0,0,0,0,0|2,0,0]=4 137 B3R0.1 CC[Mg]Cl OR320098 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.1 CC[Mg]Cl OR320099 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 C\C=C\F PC52099 [2,0,0,0,0,0|1,0,1]=4 140 B3R0.1 FCCF PC7081 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 FCCI PC0560 [2,0,0,0,0,0|2,0,0]=4 142 B3R0.1 NCCCl OR0986 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.1 NCCF PC3677 [2,0,0,0,0,0|2,0,0]=4 144 B3R0.1 NCCS OR322565 [2,0,0,0,0,0|1,1,0]=4 145 B3R0.2 C=C(C)F PC2703 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.2 CC(C)F PC4179T [2,0,0,0,0,0|1,0,0]=3 147 B3R0.2 CC(F)F PC2800 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 C=CCC(C)N OR55255 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 C=CC[C@@H](C)O OR304050 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.1 CC(Br)CC#N OR322122 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 CC(Br)CCBr OR9604 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.1 CC(C)=CC=O OR315230 [1,1,0,0,0,0|0,0,1]=3 153 B5R0.1 CC(C)C[Mg]Br OR320117 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 CC(C)C[Mg]Br OR320118 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CC(C)C[Mg]Cl OR320119 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CC(C)C[Mg]Cl OR320120 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.1 CC(C)C[Mg]Cl OR320121 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 CCCC(C)O OR460068 [1,1,0,0,0,0|0,0,1]=3 159 B5R0.1 CCC[C@@H](C)O OR304039 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.1 CCC[C@H](C)O OR304040 [1,1,0,0,0,0|0,0,1]=3 161 B5R0.1 CN(C)CCO OR322433 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 COC[C@@H](C)O OR304070 [1,1,0,0,0,0|0,0,1]=3 163 B5R0.1 COC[C@H](C)O OR304071 [1,1,0,0,0,0|0,0,1]=3 164 B5R0.1 CSCS(C)=O OR322205 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.1 C[C@@H](O)CC#N OR304062 [1,1,0,0,0,0|0,0,2]=4 166 B5R0.1 C[C@@H](O)CCN OR304064 [1,1,0,0,0,0|0,0,1]=3 167 B5R0.1 C[C@H](O)CC#N OR304063 [1,1,0,0,0,0|0,0,2]=4 168 B5R0.1 C[C@H](O)CCN OR304065 [1,1,0,0,0,0|0,0,1]=3 169 B5R0.1 C[C@H](O)CCO OR315271 [1,1,0,0,0,0|0,0,1]=3 170 B5R0.1 FCCC(F)F PC7926 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.4 CC(C)(C)CO OR322097 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.4 CC(C)(C)[Mg]Cl OR320124 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.4 CC(C)(C)[Mg]Cl OR320125 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.4 CC(C)(F)CBr PC2438 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.4 CC(C)(F)CI PC510283 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.4 CC(C)(F)CO PC53095 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.4 CC(C)(N)CF PC7908 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.4 CC(C)(O)CF PC56325 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.4 CC(Cl)(Cl)CCl OR460037 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.4 CC(F)(F)CF PC5568 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.4 CC(F)(F)CN PC9057 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.4 CC(F)(F)CO PC1247 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 CCC(C)(F)F PC450284 [1,1,0,0,0,0|1,0,0]=3 184 B5R0.4 CCC(F)(F)F PC7819M [1,1,0,0,0,0|2,0,0]=4 185 B5R0.4 O=CC(F)(F)F PC7130 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.5 CC(=O)C(C)F PC9588 [1,1,0,0,0,0|0,0,1]=3 187 B5R0.5 CC(=O)C(F)F PC1013 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.5 CC(C)C(C)N OR5236 [1,1,0,0,0,0|0,0,1]=3 189 B5R0.5 CC(C)C(N)=S OR346256 [1,1,0,0,0,0|0,1,0]=3 190 B5R0.5 CC(F)C(=O)O PC1057 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 CC(F)C(C)I PC56278 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 CN(C)C(=N)N OR300899 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 CN(C)C(=S)S OR53175 [1,1,0,0,0,0|1,1,0]=4 194 B5R0.5 NC(=O)C(F)Br PC9604 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.5 NC(=O)C(F)Cl PC4293 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.5 NC(=O)C(F)F PC4051 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.5 NC(=O)C(F)I PC5583 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.5 O=C(Cl)C(F)Cl PC4216 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.5 O=C(Cl)C(F)F PC9051 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.5 O=C(O)C(F)Br PC6862 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 O=C(O)C(F)Cl PC1148 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 O=C(O)C(F)F PC2570 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.5 O=C(O)C(F)I PC0992 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.5 O=C([O-])C(F)Br PC3375 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.5 O=C([O-])C(F)Cl PC3376 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.5 O=C([O-])C(F)F PC408095 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.5 O=C([O-])C(F)F PC5514 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.5 O=C([O-])C(F)I PC3377 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.2 BrCCCCBr OR323244 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.2 C=CCC[Mg]Br OR320148 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.2 CCCCCF PC1120 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.2 CCCC[Mg]Br OR320112 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.2 CCCC[Mg]Br OR320113 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.2 CCCC[Mg]Cl OR320114 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 CCCC[Mg]Cl OR320115 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.2 CCCC[Mg]Cl OR320116 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.2 CCCNNC OR315349 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.2 CCSCCN OR322060 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 CNCCCN OR322100 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 COCCNN OR306138 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.2 FCCCCBr PC3725 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.2 FCCCCF PC4055 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 O=CCCCF PC53182 [1,1,0,0,0,0|0,0,0]=2 224 B5R0.2 OCCCCF PC53179 [1,1,0,0,0,0|0,0,2]=4 225 B7R0.2 CC(=O)OC(Br)CBr OR346136 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.2 CC(CCl)CC(=O)Cl OR470807 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.2 CC(CN)CC(=O)O OR53211 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.5 CC(C)C(C)N=C=S OR322141 [0,2,0,0,0,0|0,1,1]=4 229 B7R0.5 CC(C)[C@H](C)N=C=S OR322279 [0,2,0,0,0,0|0,1,1]=4 230 B7R0.5 CC(CCCl)C(=O)Cl OR470808 [0,2,0,0,0,0|0,0,0]=2 231 B7R0.5 COC[C@H](N)C(=O)O OR307094 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.5 NCCC(F)C(=O)O PC1076DC [0,2,0,0,0,0|1,0,0]=3 233 B7R0.5 NCC[C@@H](F)C(=O)O PC0651 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.5 NCC[C@H](F)C(=O)O PC0372 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.5 N[C@H](CCO)C(=O)O OR304075 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.7 CCCC(C)SC#N OR1087 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.10 COC(=O)C(F)CCl PC19690 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.10 COC(=O)C(F)CO PC19688 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.10 COC(=O)C(N)CO OR26795 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.10 COC(=O)C(O)CN OR471011 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.10 COC(=O)[C@@H](N)CN OR309421 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.11 CCC(C)(C)N=C=S OR30169 [0,2,0,0,0,0|0,1,1]=4 243 B7R0.12 CCCC(C#N)NC OR300894 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.12 OCCC(CO)CO OR54496 [0,2,0,0,0,0|0,0,2]=4 245 B7R0.13 CC(C)(CF)C(=O)O PC201274 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.13 CC(N)(CO)C(=O)O OR24937 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.13 CCC(F)(F)C(=O)O PC1055 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.13 CCC(F)(F)C(=O)[O-] PC450208 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.13 NCC(F)(F)C(=O)O PC510177 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.14 CC(C=O)C(F)(F)F PC7762 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.14 C[C@@H](CO)C(C)(C)O OR310330 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.14 O=CC(F)C(F)(F)F PC10057 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.15 CCN(CC)C(=N)N OR300538 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.15 CCN(CC)C(=N)N OR300900 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.16 C=C(C)[C@@H](N)C(=O)O OR480226 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.16 CC(C)C(Br)C(=O)O OR26787 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.16 CC(F)C(N)C(=O)O PC1076D [0,2,0,0,0,0|1,0,0]=3 258 B7R0.16 NC(C(=O)O)C(F)F PC53556 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.18 CCC(C)(CO)CO OR28239 [0,2,0,0,0,0|0,0,2]=4 260 B5R1.2 C=C1CCO1 OR309087 [1,0,0,1,0,0|1,0,1]=4 261 B5R1.2 CC1CCN1 OR451005 [1,0,0,1,0,0|1,0,0]=3 262 B5R1.2 CC1CCO1 OR309061 [1,0,0,1,0,0|0,0,1]=3 263 B5R1.2 CC1CNC1 OR309000 [1,0,0,1,0,0|1,0,1]=4 264 B5R1.2 CC1COC1 OR309110 [1,0,0,1,0,0|0,0,2]=4 265 B5R1.2 ClC1CCC1 OR322240 [1,0,0,1,0,0|1,0,0]=3 266 B5R1.2 ClC1CNC1 OR309001 [1,0,0,1,0,0|2,0,0]=4 267 B5R1.2 ClC1COC1 OR309091 [1,0,0,1,0,0|2,0,0]=4 268 B5R1.2 FC1CNC1 PC8943 [1,0,0,1,0,0|2,0,0]=4 269 B5R1.2 FC1COC1 PC406000 [1,0,0,1,0,0|2,0,0]=4 270 B5R1.2 IC1COC1 OR308004 [1,0,0,1,0,0|2,0,0]=4 271 B5R1.2 NC1CCC1 OR322423 [1,0,0,1,0,0|1,0,0]=3 272 B5R1.2 NC1CNC1 OR309033 [1,0,0,1,0,0|2,0,0]=4 273 B5R1.2 NC1CNC1 OR315569 [1,0,0,1,0,0|2,0,0]=4 274 B5R1.2 NC1COC1 OR302131 [1,0,0,1,0,0|2,0,0]=4 275 B5R1.2 NC1CSC1 OR315565 [1,0,0,1,0,0|2,0,0]=4 276 B5R1.2 O=C1CSC1 OR312059 [1,0,0,1,0,0|1,0,1]=4 277 B5R1.2 SC1COC1 OR317034 [1,0,0,1,0,0|1,1,0]=4 278 B5R1.3 Br[Mg]C1CC1 OR320109 [1,0,0,1,0,0|2,0,0]=4 279 B5R1.3 Br[Mg]C1CC1 OR320110 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.3 C=C[C@@H]1CO1 OR315320 [1,0,0,1,0,0|2,0,0]=4 281 B5R1.3 C=C[C@H]1CO1 OR315281 [1,0,0,1,0,0|2,0,0]=4 282 B5R1.3 FCC1CO1 PC3158 [1,0,0,1,0,0|1,0,1]=4 283 B5R1.3 ICC1CO1 OR302747 [1,0,0,1,0,0|1,0,1]=4 284 B5R1.4 C[C@@H]1O[C@H]1C OR322036 [1,0,0,1,0,0|0,0,1]=3 285 B5R1.1 C1CCOC1 PC7287 [1,0,0,1,0,0|0,0,2]=4 286 B7R1.1 BrCC1CCOC1 OR315500 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.1 BrC[C@H]1CCCO1 OR311269 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.1 Br[Mg]C1CCCC1 OR320132 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.1 Br[Mg]C1CCCC1 OR320133 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.1 CN[C@H]1CCNC1 OR322582 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.1 COC1CCNC1 OR313053 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.1 CO[C@H]1CCNC1 OR451218 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.1 Cl[Mg]C1CCCC1 OR320134 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.1 Cl[Mg]C1CCCC1 OR320135 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.1 N#C[C@H]1CCCN1 PC904446 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.1 NC[C@H]1CCCO1 OR322445 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.2 CC1CNC(=S)N1 OR24086 [0,1,0,1,0,0|1,1,0]=4 298 B7R1.2 CC1COC(=O)N1 OR471432 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.2 CN1CCC(=O)C1 OR309136 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.2 C[C@@H]1CC[C@@H](C)N1 OR302535 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.2 C[C@H]1COC(=O)O1 OR315317 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.2 O=C1OCC(F)O1 PC6702 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.2 O[C@@H]1C=C[C@H](O)C1 OR322236 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.3 CC1SCCCS1 OR9081 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.3 C[C@@H]1CNCCO1 OR308177 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.3 C[C@H]1CCCCN1 OR313089 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.3 C[C@H]1CCCCN1 OR321379 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.3 C[C@H]1COCCN1 OR315414 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.4 CC1SCCC1=O OR350261 [0,1,0,1,0,0|0,0,0]=2 311 B7R1.4 CN1CCNC1=O OR480211 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.4 NN1CCCC1=O OR350009 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.4 N[C@@H]1CCOC1=O OR350154 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.4 N[C@H]1CCNC1=O OR313015 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.4 O=C1NCCC1Br OR43677 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.6 CCNC1CNC1 OR53140 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.6 CCNC1COC1 OR306109 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.6 CCOC1CNC1 OR451019 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.6 CNCC1COC1 OR312185 [0,1,0,1,0,0|0,0,2]=4 320 B7R1.6 NNCC1CCC1 OR306203 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.6 O=CC=C1COC1 OR309114 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.6 OCCC1CNC1 OR312189 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.10 CNC1CC(O)C1 OR317074 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.10 CNC1CN(C)C1 OR309014 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.10 CN[C@H]1C[C@H](O)C1 OR317297 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.10 CO[C@H]1C[C@@H](N)C1 OR317139 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.10 CO[C@H]1C[C@H](N)C1 OR317140 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.10 N#CC1CC(=O)C1 OR317070 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.10 NC1CC(CO)C1 OR308092 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.10 NCC1CC(=O)C1 OR317088 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.10 NC[C@H]1C[C@H](F)C1 PC420026 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.10 NC[C@H]1C[C@H](O)C1 OR308089 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.10 N[C@H]1C[C@H](CO)C1 OR308094 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.25 CC1(C#N)CNC1 OR451025 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.25 CC1(C=O)COC1 OR309072 [0,1,0,1,0,0|0,0,0]=2 336 B7R1.25 CC1(CBr)CCO1 OR309083 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.25 CC1(CCl)CCO1 OR309084 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.25 CC1(CCl)COC1 OR309057 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.25 CC1(CI)CCO1 OR309086 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.25 CC1(CI)COC1 OR309055 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.25 CC1(CN)CCC1 OR315530 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.25 CC1(CN)COC1 OR301149 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.25 CC1(CO)COC1 OR309068 [0,1,0,1,0,0|0,0,2]=4 344 B7R1.25 CCC1(N)COC1 OR317037 [0,1,0,1,0,0|0,0,2]=4 345 B7R1.25 CCC1(O)CNC1 OR317219 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.25 CNC1(C)COC1 OR306123 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.25 N#CC1(N)CCC1 OR451173 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.12 CC1CC1C(N)=O OR302522 [0,1,0,1,0,0|0,0,0]=2 349 B7R1.12 O=C(O)C1CC1F PC201153 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400537 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400540 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.12 O=C(O)[C@@H]1C[C@H]1F PC400541 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.12 O=C(O)[C@H]1C[C@@H]1F PC400539 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.12 O=C(O)[C@H]1C[C@H]1F PC400536 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.12 O=C(O)[C@H]1C[C@H]1I OR302646 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.18 NC(=O)C1CCN1 OR451001 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.18 O=C(O)C1CCN1 OR309022 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.18 O=C(O)C1CCO1 OR308010 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.18 O=C(O)[C@H]1CCN1 OR317238 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.18 O=[N+]([O-])C1COC1 OR309048 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.19 O=C(O)C1(F)CC1 PC400556 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.23 C=CC1CC1(F)F PC1782 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.14 CC1(O)CCCC1 OR350230 [0,1,0,1,0,0|1,0,1]=4 364 B7R2.11 C1NC2CC1C2 OR317269 [0,0,0,2,0,0|1,0,1]=4 365 B7R2.8 NC1C2CC1C2 OR312484 [0,0,0,2,0,0|1,0,1]=4