0 B5R0.5 C=C(Cl)C(=O)[O-] OR2895 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.5 C=C(F)C(=O)O PC4962 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 C=C(F)C(F)F PC5756 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.5 CC(=O)C(C)F PC9588 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(=O)C(F)F PC1013 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.5 CC(C)C(C)N OR5236 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.5 CC(C)C(N)=S OR346256 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.5 CC(F)C(=O)O PC1057 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(F)C(C)I PC56278 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.5 CN(C)C(=N)N OR300899 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.5 CN(C)C(=S)S OR53175 [0,0,0,0,0,0|2,2,0]=4 11 B5R0.5 NC(=O)C(F)Br PC9604 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 NC(=O)C(F)Cl PC4293 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.5 NC(=O)C(F)F PC4051 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 NC(=O)C(F)I PC5583 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 O=C(Cl)C(F)Cl PC4216 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 O=C(Cl)C(F)F PC9051 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 O=C(F)C(=O)F PC5364 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.5 O=C(O)C(F)Br PC6862 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 O=C(O)C(F)Cl PC1148 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 O=C(O)C(F)F PC2570 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.5 O=C(O)C(F)I PC0992 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.5 O=C([O-])C(F)Br PC3375 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.5 O=C([O-])C(F)Cl PC3376 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.5 O=C([O-])C(F)F PC408095 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.5 O=C([O-])C(F)F PC5514 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.5 O=C([O-])C(F)I PC3377 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 C=C(Cl)CBr OR53069 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C=C(Cl)CF PC1025 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 C=C(F)CBr PC450149 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 C=C(F)CCl PC3775 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C=C(F)CO PC49591 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 C=CB(O)O OR361683 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 CC(=O)CF PC3356 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)NO BIA1030 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)[Mg]Br OR320104 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CC(C)[Mg]Cl OR320108 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(F)CF PC7149 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(F)CO PC1014 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(O)CF PC7229 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CC(O)CO OR5249 [1,0,0,0,0,0|0,0,1]=2 41 B4R0.1 CC=C(F)F PC5668 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CCC(=O)F PC3875 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CCC(C)F PC408041 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CCC(C)N OR5233 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CCC(F)F PC2405 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CNC(C)=S OR322821 [1,0,0,0,0,0|2,1,0]=4 47 B4R0.1 C[C@@H](F)CO PC6608 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 C[C@@H](O)CO OR307150 [1,0,0,0,0,0|0,0,1]=2 49 B4R0.1 C[C@H](F)CO PC6609 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C[C@H](O)CO OR307151 [1,0,0,0,0,0|0,0,1]=2 51 B4R0.1 C\C(Br)=C/F PC52100 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C\C(F)=C\Cl PC1026 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 NNC(N)=O OR1894 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 O=C(F)CCl PC2527 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 OCC(F)F PC2805 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 C=C(F)C(=O)OC PC4967 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.3 CCC(=O)C(F)F PC450496 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.3 CN(C)C(=O)CCl OR49017 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 CNC(=O)C(F)Br PC5594 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 CNC(=O)C(F)Cl PC5596 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.3 CNC(=O)C(F)I PC5599 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 COC(=O)C(C)C OR323296 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 COC(=O)C(C)F PC19689 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.3 COC(=O)C(F)F PC5075 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 COC(=O)[C@@H](C)Cl OR322358 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 COC(=O)[C@@H](C)F PC450159 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.3 COC(=O)[C@H](C)F PC450044 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.3 CO[C@H](C)C(=O)O OR302445 [0,1,0,0,0,0|0,0,0]=1 69 B6R0.3 C\C(=N/O)C(F)F PC3769 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 NC(CF)C(=O)O PC3379 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.3 NCC(F)C(=O)O PC3387E [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 NC[C@H](N)C(=O)O OR5495 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 O=C([O-])C(=O)CF PC4205 [0,1,0,0,0,0|0,0,3]=4 74 B6R0.7 CC(=O)C(F)(F)Cl PC450267 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.7 CC(=O)C(F)(F)F PC7180 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.7 CC(C)(C)C(=O)O OR322364 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.7 CC(C)(C)C(N)=O OR30100 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.7 CC(C)(F)C(=O)Cl PC01536 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.7 CC(C)(F)C(=O)O PC8763 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.7 CC(C)(O)C(F)F PC56324 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.7 CC(F)(Br)C(=O)O PC51071 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.7 CC(F)(F)C(=O)O PC9834 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.7 CC(F)(F)C(=O)[O-] PC450283 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.7 CC(F)(F)C(N)=O PC1164 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.7 CC(O)C(Cl)(Cl)Cl OR28263 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.7 CC(O)C(F)(F)F PC7386 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.7 C[C@@H](O)C(F)(F)F PC01525 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.7 C[C@H](O)C(F)(F)F PC51130 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.7 NC(=O)C(F)(Br)Br PC8997 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.7 NC(=O)C(F)(F)Br PC9895 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.7 NC(=O)C(F)(F)Cl PC1730 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.7 NC(=O)C(F)(F)F PC7150 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.7 O=C(Br)C(F)(F)Br PC8341 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.7 O=C(Br)C(F)(F)Cl PC9126 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.7 O=C(Cl)C(F)(F)Br PC6436 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.7 O=C(Cl)C(F)(F)Cl PC1753J [0,1,0,0,0,0|3,0,0]=4 97 B6R0.7 O=C(F)C(F)(F)Br PC0602 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.7 O=C(F)C(F)(F)Cl PC2565 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.7 O=C(F)C(F)(F)I PC4846 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.7 O=C(O)C(F)(Br)Br PC2253M [0,1,0,0,0,0|2,0,0]=3 101 B6R0.7 O=C(O)C(F)(Cl)Cl PC408090 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.7 O=C(O)C(F)(F)Br PC5574 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.7 O=C(O)C(F)(F)Cl PC1740 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.7 O=C(O)C(F)(F)F PC7160 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.7 O=C(O)C(F)(F)F PC7160A [0,1,0,0,0,0|2,0,0]=3 106 B6R0.7 O=C(O)C(F)(F)F PC7161 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.7 O=C(O)C(F)(F)F PC7161A [0,1,0,0,0,0|2,0,0]=3 108 B6R0.7 O=C(O)C(F)(F)F PC8841 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.7 O=C(O)C(F)(F)I PC408091 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.7 O=C([O-])C(F)(Cl)Cl PC450243 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.7 O=C([O-])C(F)(F)Br PC3374 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.7 O=C([O-])C(F)(F)Br PC6410 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.7 O=C([O-])C(F)(F)Cl PC6460 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.7 O=C([O-])C(F)(F)F PC1113 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.7 O=C([O-])C(F)(F)F PC1976 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.7 O=C([O-])C(F)(F)F PC2078E [0,1,0,0,0,0|2,0,1]=4 117 B6R0.7 O=C([O-])C(F)(F)F PC4872 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.7 O=C([O-])C(F)(F)F PC5011 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.7 O=C([O-])C(F)(F)F PC5367 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.7 O=C([O-])C(F)(F)F PC6440 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.7 O=C([O-])C(F)(F)F PC6570 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.7 O=[13C]([O-])[13C](F)(F)F PC49255T [0,1,0,0,0,0|2,0,1]=4 123 B6R1.9 OC1CC1(F)F PC53218 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.11 FC(F)C1CO1 PC56095 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.11 FC(F)[C@H]1CO1 PC56097 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.11 NC(=S)C1CC1 OR315182 [0,0,0,1,0,0|2,1,0]=4 127 B6R0.2 CC(=O)OC(C)Cl OR311234 [0,0,0,0,0,1|2,0,0]=3 128 B6R0.2 CC(C)C[C@@H](C)O OR304054 [0,0,0,0,0,1|2,0,1]=4 129 B6R0.2 CC(C)C[C@H](C)O OR304055 [0,0,0,0,0,1|2,0,1]=4 130 B6R0.2 CC(C)NC(N)=O OR54393 [0,0,0,0,0,1|2,0,0]=3 131 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,0,0,0,0,1|0,0,1]=2 132 B6R0.2 C[C@@H](O)C[C@@H](C)O OR315299 [0,0,0,0,0,1|1,0,1]=3 133 B6R0.2 C[C@H](O)C[C@H](C)O OR315298 [0,0,0,0,0,1|1,0,1]=3 134 B3R0.1 C=CCF PC4179Y [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 CCCF PC0911 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 CC[Mg]Br OR320087 [2,0,0,0,0,0|2,0,0]=4 137 B3R0.1 CC[Mg]Br OR320088 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.1 CC[Mg]Br OR320089 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 CC[Mg]Br OR320090 [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 CC[Mg]Br OR320092 [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 CC[Mg]Br OR320093 [2,0,0,0,0,0|2,0,0]=4 142 B3R0.1 CC[Mg]Cl OR320095 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.1 CC[Mg]Cl OR320096 [2,0,0,0,0,0|2,0,0]=4 144 B3R0.1 CC[Mg]Cl OR320097 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.1 CC[Mg]Cl OR320098 [2,0,0,0,0,0|2,0,0]=4 146 B3R0.1 CC[Mg]Cl OR320099 [2,0,0,0,0,0|2,0,0]=4 147 B3R0.1 C\C=C\F PC52099 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.2 C=C(C)F PC2703 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.2 CC(C)F PC4179T [2,0,0,0,0,0|1,0,1]=4 150 B3R0.2 CC(F)F PC2800 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 C=CCC(C)N OR55255 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 C=CC[C@@H](C)O OR304050 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 CC(C)=CC=O OR315230 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 CCC=C(F)F PC4001 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.1 CCCC(C)O OR460068 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CCC[C@@H](C)O OR304039 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.1 CCC[C@H](C)O OR304040 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.1 COC[C@@H](C)O OR304070 [1,1,0,0,0,0|0,0,1]=3 159 B5R0.1 COC[C@H](C)O OR304071 [1,1,0,0,0,0|0,0,1]=3 160 B5R0.1 CSCS(C)=O OR322205 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.1 C[C@@H](O)CC#N OR304062 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 C[C@@H](O)CCN OR304064 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 C[C@H](O)CC#N OR304063 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 C[C@H](O)CCN OR304065 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.1 C[C@H](O)CCO OR315271 [1,1,0,0,0,0|0,0,1]=3 166 B5R0.3 C#CC(O)CC OR2042 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 C=CC(C)ON OR471531 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.3 C=CC(C)[Mg]Cl OR320153 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.3 CC(CO)NN OR015020 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 CC\C(N)=N\O OR346280 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.3 CNC(C)CO OR301204 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 COC(=O)NN OR4850 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.3 NC[C@@H](O)CO OR315176 [1,1,0,0,0,0|0,0,1]=3 174 B5R0.3 N\C(CCl)=N/O OR300912 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.3 O=C(CF)CF PC066 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.3 OC(CF)CBr PC2445 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 OC(CF)CCl PC1868M [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 OC(CF)CF PC2878 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.3 OCC(O)CF PC409017 [1,1,0,0,0,0|0,0,1]=3 180 B5R0.3 OC[C@@H](O)CCl OR315174 [1,1,0,0,0,0|0,0,1]=3 181 B5R0.3 OC[C@H](O)CCl OR315175 [1,1,0,0,0,0|0,0,1]=3 182 B5R0.4 CC(C)(C)CO OR322097 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.4 CC(C)(F)CO PC53095 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.4 CC(C)(O)CF PC56325 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.4 CC(F)(F)CO PC1247 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.4 O=CC(F)(F)F PC7130 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.2 CC(=O)OC(Br)CBr OR346136 [0,1,0,0,0,1|2,0,0]=4 188 B7R0.2 CC(C)C\C(N)=N\O OR306478 [0,1,0,0,0,1|2,0,0]=4 189 B7R0.2 CC(CCl)CC(=O)Cl OR470807 [0,1,0,0,0,1|2,0,0]=4 190 B7R0.2 CC(CN)CC(=O)O OR53211 [0,1,0,0,0,1|1,0,0]=3 191 B7R0.2 COC(=O)C[C@H](C)O OR304074 [0,1,0,0,0,1|0,0,0]=2 192 B7R0.9 C[C@H](O)CC(C)(C)O OR315011 [0,1,0,0,0,1|1,0,1]=4 193 B7R0.9 O=C(O)CC(F)(F)F PC7820A [0,1,0,0,0,1|2,0,0]=4 194 B7R0.16 C=C(C)[C@@H](N)C(=O)O OR480226 [0,1,0,0,0,1|1,0,1]=4 195 B7R0.16 CC(C)C(Br)C(=O)O OR26787 [0,1,0,0,0,1|1,0,0]=3 196 B7R0.16 CC(F)C(N)C(=O)O PC1076D [0,1,0,0,0,1|1,0,0]=3 197 B7R0.16 NC(C(=O)O)C(F)F PC53556 [0,1,0,0,0,1|2,0,0]=4 198 B7R0.16 O=C(O)C(F)C(=O)O PC53171 [0,1,0,0,0,1|1,0,1]=4 199 B7R0.5 CC(CCCl)C(=O)Cl OR470808 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.5 CCOC(=O)C(C)F PC9352 [0,2,0,0,0,0|1,0,0]=3 201 B7R0.5 CCOC(=O)C(F)Br PC3164 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.5 CCOC(=O)C(F)Cl PC3180 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.5 CCOC(=O)C(F)F PC3200 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.5 CCOC(=O)C(F)I PC0896 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.5 CCOC(=O)[C@@H](C)F PC450269 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.5 COC[C@H](N)C(=O)O OR307094 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.5 NCCC(F)C(=O)O PC1076DC [0,2,0,0,0,0|1,0,0]=3 208 B7R0.5 NCC[C@@H](F)C(=O)O PC0651 [0,2,0,0,0,0|1,0,0]=3 209 B7R0.5 NCC[C@H](F)C(=O)O PC0372 [0,2,0,0,0,0|1,0,0]=3 210 B7R0.5 N[C@H](CCO)C(=O)O OR304075 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.5 [C@@H](C)(N)C(=O)OCC OR26821 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.10 COC(=O)C(=O)OC OR315225 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.10 COC(=O)C(F)CCl PC19690 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.10 COC(=O)C(F)CO PC19688 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.10 COC(=O)C(N)CO OR26795 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.10 COC(=O)C(O)CN OR471011 [0,2,0,0,0,0|0,0,0]=2 217 B7R0.10 COC(=O)[C@@H](N)CN OR309421 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.10 COC(=O)\C(C)=C\Br OR346254 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.13 CC(C)(CF)C(=O)O PC201274 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.13 CC(N)(CO)C(=O)O OR24937 [0,2,0,0,0,0|0,0,0]=2 221 B7R0.13 CCC(F)(F)C(=O)O PC1055 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.13 CCC(F)(F)C(=O)[O-] PC450208 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.13 NCC(F)(F)C(=O)O PC510177 [0,2,0,0,0,0|1,0,0]=3 224 B7R0.14 CC(C)(C)C(=O)NN OR322143 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.14 COC(=O)C(C)(C)F PC2925 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.14 COC(=O)C(C)(F)Br PC49318 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.14 COC(=O)C(C)(F)F PC51164 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.14 COC(=O)C(F)(Cl)Br PC450260 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.14 COC(=O)C(F)(F)Br PC10611 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.14 COC(=O)C(F)(F)Cl PC5070 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.14 COC(=O)C(F)(F)F PC49140 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.14 COC(=O)C(F)(F)F PC5160 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.14 C[C@@H](CO)C(C)(C)O OR310330 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.14 O=C(O[Cs])C(F)(F)F PC2526 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.17 CC(C)(C)P(=O)(O)O OR323261 [0,2,0,0,0,0|2,0,0]=4 236 B5R1.2 C=C1CCO1 OR309087 [1,0,0,1,0,0|1,0,0]=3 237 B5R1.2 CC1CCO1 OR309061 [1,0,0,1,0,0|1,0,1]=4 238 B5R1.2 CC1COC1 OR309110 [1,0,0,1,0,0|1,0,1]=4 239 B5R1.2 ClC1COC1 OR309091 [1,0,0,1,0,0|1,0,1]=4 240 B5R1.2 FC1COC1 PC406000 [1,0,0,1,0,0|1,0,1]=4 241 B5R1.2 IC1COC1 OR308004 [1,0,0,1,0,0|1,0,1]=4 242 B5R1.2 NC1COC1 OR302131 [1,0,0,1,0,0|1,0,1]=4 243 B5R1.2 O=C1CSC1 OR312059 [1,0,0,1,0,0|1,1,0]=4 244 B5R1.2 SC1COC1 OR317034 [1,0,0,1,0,0|0,1,1]=4 245 B5R1.3 C=C[C@@H]1CO1 OR315320 [1,0,0,1,0,0|1,0,0]=3 246 B5R1.3 C=C[C@H]1CO1 OR315281 [1,0,0,1,0,0|1,0,0]=3 247 B5R1.3 FCC1CO1 PC3158 [1,0,0,1,0,0|1,0,1]=4 248 B5R1.3 ICC1CO1 OR302747 [1,0,0,1,0,0|1,0,1]=4 249 B5R1.4 C[C@@H]1O[C@H]1C OR322036 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.2 CC1COC(=O)N1 OR471432 [0,0,0,1,0,1|1,0,0]=3 251 B7R1.2 C[C@H]1COC(=O)O1 OR315317 [0,0,0,1,0,1|1,0,0]=3 252 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [0,0,0,1,0,1|1,0,0]=3 253 B7R1.2 O=C1OCC(F)O1 PC6702 [0,0,0,1,0,1|1,0,0]=3 254 B7R1.2 O=S1OCC(F)O1 PC56113 [0,0,0,1,0,1|2,0,0]=4 255 B7R1.12 CC1CC1C(N)=O OR302522 [0,0,0,1,0,1|2,0,0]=4 256 B7R1.12 O=C(O)C1CC1F PC201153 [0,0,0,1,0,1|1,0,0]=3 257 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400537 [0,0,0,1,0,1|1,0,0]=3 258 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400540 [0,0,0,1,0,1|1,0,0]=3 259 B7R1.12 O=C(O)[C@@H]1C[C@H]1F PC400541 [0,0,0,1,0,1|1,0,0]=3 260 B7R1.12 O=C(O)[C@H]1C[C@@H]1F PC400539 [0,0,0,1,0,1|1,0,0]=3 261 B7R1.12 O=C(O)[C@H]1C[C@H]1F PC400536 [0,0,0,1,0,1|1,0,0]=3 262 B7R1.12 O=C(O)[C@H]1C[C@H]1I OR302646 [0,0,0,1,0,1|1,0,0]=3 263 B7R1.4 CC1SCCC1=O OR350261 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.4 N[C@@H]1CCOC1=O OR350154 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.4 N[C@@H]1COC[C@H]1O OR307685 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.4 N[C@H]1CCNC1=O OR313015 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.4 O=C1NCCC1Br OR43677 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.4 OC1CCCC1O OR323260 [0,1,0,1,0,0|1,0,1]=4 269 B7R1.18 NC(=O)C1CCN1 OR451001 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.18 O=C(O)C1CCN1 OR309022 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.18 O=C(O)C1CCO1 OR308010 [0,1,0,1,0,0|0,0,0]=2 272 B7R1.18 O=C(O)[C@H]1CCN1 OR317238 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.18 O=[N+]([O-])C1COC1 OR309048 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.19 O=C(O)C1(F)CC1 PC400556 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.22 COC(=O)C1CC1 OR28707 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.22 COC(=O)C1CO1 OR55240 [0,1,0,1,0,0|0,0,0]=2 277 B7R1.22 COC(=O)[C@@H]1CO1 OR316033 [0,1,0,1,0,0|0,0,0]=2 278 B7R1.22 NNC(=O)C1CC1 OR54582 [0,1,0,1,0,0|2,0,0]=4 279 B7R0.6 CC(=O)CCC(C)C OR10031 [0,0,0,0,0,2|2,0,0]=4 280 B7R0.6 CC(=O)\C=C\C(=O)O OR22045 [0,0,0,0,0,2|0,0,2]=4 281 B7R0.6 CC(N)CCC(=O)O OR53204 [0,0,0,0,0,2|1,0,0]=3 282 B7R0.6 CN(C)CCC(=O)O OR322402 [0,0,0,0,0,2|2,0,0]=4 283 B7R0.6 O=C(O)CCC(=O)O OR14341 [0,0,0,0,0,2|1,0,1]=4