0 B6R0.1 C=CC[C@@H](O)CCl OR304089 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 C=CC[C@H](O)CCl OR304090 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC(C)SC#N OR1959 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(Br)CC OR322159 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 CCCC(N)C#N OR322614 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCCC(O)CC OR10019 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.1 CCC[C@@H](N)CO OR316037 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCC[C@@H](O)CCl OR304099 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.1 CCC[C@H](N)CO OR316038 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCC[C@H](O)CCl OR304100 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 CCOC(=O)CCl OR322004 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 C=CCC(C)N OR55255 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 C=CC[C@@H](C)O OR304050 [1,0,0,0,0,0|0,0,2]=3 13 B5R0.1 CC(Br)CC#N OR322122 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(Br)CCBr OR9604 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(C)C[Mg]Br OR320117 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CC(C)C[Mg]Br OR320118 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC(C)C[Mg]Cl OR320119 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CC(C)C[Mg]Cl OR320120 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CC(C)C[Mg]Cl OR320121 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CCCC(C)O OR460068 [1,0,0,0,0,0|0,0,0]=1 21 B5R0.1 CCC[C@@H](C)O OR304039 [1,0,0,0,0,0|0,0,0]=1 22 B5R0.1 CCC[C@H](C)O OR304040 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.1 CN(C)CCO OR322433 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COC[C@@H](C)O OR304070 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 COC[C@H](C)O OR304071 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CSCS(C)=O OR322205 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C[C@@H](O)CC#N OR304062 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 C[C@@H](O)CCN OR304064 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 C[C@H](O)CC#N OR304063 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 C[C@H](O)CCN OR304065 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 C[C@H](O)CCO OR315271 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 FCCC(F)F PC7926 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 BrCCCCBr OR323244 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 CC#CCCO OR5516 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CCCCCF PC1120 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.2 CCCC[Mg]Br OR320112 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 CCCC[Mg]Br OR320113 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CCCC[Mg]Cl OR320114 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCCC[Mg]Cl OR320115 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 CCCC[Mg]Cl OR320116 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCCNNC OR315349 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCSCCN OR322060 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CNCCCN OR322100 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 COCCNN OR306138 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 FCCCCBr PC3725 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 FCCCCF PC4055 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 O=CCCCF PC53182 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 OCCCCF PC53179 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.3 C#CC(O)CC OR2042 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.3 CCC(C)[Mg]Cl OR320122 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.3 CCC(C)[Mg]Cl OR320123 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 CNC(C)CO OR301204 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.3 FCC(F)CF PC9621 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 NCC(Br)CBr OR470059 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 NC[C@@H](O)CO OR315176 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 OC(CF)CBr PC2445 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 OC(CF)CCl PC1868M [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 OC(CF)CF PC2878 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 OCC(O)CF PC409017 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.3 OC[C@@H](O)CCl OR315174 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 OC[C@H](O)CCl OR315175 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.2 CC(C)CC(N)C#N OR470557 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.2 CN(C)CC(O)CO OR322340 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.2 COC(=O)C[C@H](C)O OR304074 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.3 CNCCC(=O)OC OR323298 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 CSCCC(N)CO OR322544 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.5 CC(C)C(N)CCO OR307620 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.5 CC(C)N(C)CCN OR450009 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.5 CCOC(=O)C(C)F PC9352 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.5 CCOC(=O)[C@@H](C)F PC450269 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.5 CCOC(O)C(F)F PC32842 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 [C@@H](C)(N)C(=O)OCC OR26821 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.7 CCCC(=O)CCC OR10123 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.7 CCCC(Br)CCC OR2933 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.7 CCCC(C)SC#N OR1087 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.7 CCCC(O)CCC OR10121 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.10 COC(=O)C(O)CN OR471011 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.12 CCCC(C#N)NC OR300894 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.12 OCCC(CO)CO OR54496 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.1 BrCC1CCOC1 OR315500 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.1 BrC[C@H]1CCCO1 OR311269 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.1 Br[Mg]C1CCCC1 OR320132 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 Br[Mg]C1CCCC1 OR320133 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.1 CN[C@H]1CCNC1 OR322582 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.1 COC1CCNC1 OR313053 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.1 CO[C@H]1CCNC1 OR451218 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.1 Cl[Mg]C1CCCC1 OR320134 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 Cl[Mg]C1CCCC1 OR320135 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.1 N#C[C@H]1CCCN1 PC904446 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 NC[C@H]1CCCO1 OR322445 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.2 CN1CCC(=O)C1 OR309136 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.2 CN1CCC(N)C1 OR308139 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 CN1CC[C@H](O)C1 OR4625 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.2 C[C@@H]1CC[C@@H](C)N1 OR302535 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 O[C@@H]1C=C[C@H](O)C1 OR322236 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.3 BrC1CCCNC1 OR315545 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.3 CC1SCCCS1 OR9081 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.3 C[C@@H]1CNCCO1 OR308177 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 C[C@H]1CCCCN1 OR313089 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 C[C@H]1CCCCN1 OR321379 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 C[C@H]1COCCN1 OR315414 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 FC1CCCCC1 PC3734 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.3 FC1CCCNC1 PC9782 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 FC1CCNCC1 PC9784 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.3 N=C1CCCCN1 OR24906 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 OC1CCCNC1 OR460040 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.4 CC1SCCC1=O OR350261 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.4 F[C@H]1CNC[C@H]1F PC201334 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.4 N[C@@H]1CCC[C@H]1O OR307608 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.4 N[C@@H]1COC[C@H]1O OR307685 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.4 N[C@H]1CCC[C@H]1O OR307677 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.4 OC1CCCC1O OR323260 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.6 CCNC1CNC1 OR53140 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.6 CCNC1COC1 OR306109 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.6 CCOC1CNC1 OR451019 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.6 CNCC1COC1 OR312185 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.6 NNCC1CCC1 OR306203 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.6 OCCC1CNC1 OR312189 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.10 CCN1CC(O)C1 OR317179 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.10 CNC1CC(O)C1 OR317074 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.10 CNC1CN(C)C1 OR309014 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.10 CN[C@H]1C[C@H](O)C1 OR317297 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.10 CO[C@H]1C[C@@H](N)C1 OR317139 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.10 CO[C@H]1C[C@H](N)C1 OR317140 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.10 NC1CC(CO)C1 OR308092 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.10 NC[C@H]1C[C@H](F)C1 PC420026 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.10 NC[C@H]1C[C@H](O)C1 OR308089 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.10 N[C@H]1C[C@H](CO)C1 OR308094 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.22 COC(=O)C1CC1 OR28707 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.22 N[C@@H](CO)C1CC1 OR451119 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.22 N[C@H](CO)C1CC1 OR451118 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.25 CC1(CBr)CCO1 OR309083 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.25 CC1(CCl)CCO1 OR309084 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.25 CC1(CCl)COC1 OR309057 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.25 CC1(CI)CCO1 OR309086 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.25 CC1(CI)COC1 OR309055 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.25 CC1(CN)CCC1 OR315530 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.25 CC1(CN)COC1 OR301149 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.25 CC1(CO)COC1 OR309068 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.25 CCC1(N)COC1 OR317037 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.25 CCC1(O)CNC1 OR317219 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.25 CNC1(C)COC1 OR306123 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.25 FC1(CBr)COC1 PC406003 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.25 N#CC1(N)CCC1 OR451173 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.25 NCC1(F)COC1 PC406004 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.25 NCC1(O)COC1 OR309100 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.25 OCC1(F)COC1 PC406005 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.25 OCC1(O)COC1 OR309101 [0,0,0,1,0,0|2,0,0]=3 150 B4R0.1 CC(F)CF PC7149 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(F)CO PC1014 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 CC(O)CF PC7229 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CC(O)CO OR5249 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CCC(C)F PC408041 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CCC(C)N OR5233 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 CCC(F)F PC2405 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 C[C@@H](F)CO PC6608 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 C[C@@H](O)CO OR307150 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 C[C@H](F)CO PC6609 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 C[C@H](O)CO OR307151 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.2 CCCCF PC9870 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.2 CCCNC OR345163 [2,0,0,0,0,0|1,0,0]=3 163 B4R0.2 CCC[Mg]Br OR320100 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.2 CCC[Mg]Br OR320101 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 CCC[Mg]Cl OR320102 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.2 CCC[Mg]Cl OR320103 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.2 CCNNC OR315348 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.2 C\C=C\CC OR8524 [2,0,0,0,0,0|0,0,2]=4 169 B4R0.2 FCCCF PC2877B [2,0,0,0,0,0|2,0,0]=4 170 B4R0.2 FCCCI PC1027 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 NCCCCl OR10945 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.2 NCCCF PC52117 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.2 NCCCF PC8996 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.2 OCCCF PC1281 [2,0,0,0,0,0|1,0,0]=3 175 B4R0.2 OCCCO OR0974 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.2 CC(C)C[C@@H](C)O OR304054 [1,1,0,0,0,0|0,0,0]=2 177 B6R0.2 CC(C)C[C@H](C)O OR304055 [1,1,0,0,0,0|0,0,0]=2 178 B6R0.2 CC(Cl)CN(C)C OR0980 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.2 CC(O)CC(=O)[O-] OR28800 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.2 C[C@@H](O)C[C@@H](C)O OR315299 [1,1,0,0,0,0|0,0,0]=2 181 B6R0.2 C[C@H](O)C[C@H](C)O OR315298 [1,1,0,0,0,0|0,0,0]=2 182 B6R0.3 CCC(Br)C(C)Br OR460065 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 C=CCC[C@H](C)O OR304053 [1,1,0,0,0,0|0,0,1]=3 184 B6R0.4 CC(C)CCCCl OR22928 [1,1,0,0,0,0|1,0,0]=3 185 B6R0.4 CCCCC(C)O OR10018 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.4 CCCC[C@@H](C)N OR315266 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.4 CCCC[C@@H](C)O OR304041 [1,1,0,0,0,0|0,0,0]=2 188 B6R0.4 CCCC[C@H](C)N OR315267 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 CCNCC(=O)O OR322207 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.4 CN(C)CCCO OR5472 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.4 COCCC(=O)O OR315601 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.5 CC(C)(N)CCO OR471003 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.5 CCCC(F)(Cl)Cl PC2405E [1,1,0,0,0,0|2,0,0]=4 194 B6R0.5 CCCC(F)(F)F PC2909 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.6 CCC#CCCO OR5514 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.6 CCCCCCF PC4817 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.6 CCCCC[Mg]Br OR320127 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.6 CCCCC[Mg]Br OR320128 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.6 CCCCC[Mg]Cl OR320129 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.6 CCCCC[Mg]Cl OR320130 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.6 CCCNNCC OR315350 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.6 CCCOCCN OR322245 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.6 CCOCCC#N OR28579 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.6 CCOCCCO OR0975 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.6 FCCCCCBr PC49114 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.6 ICCCCCI OR2937 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.6 NCCNCCN OR322494 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.6 OCCOCCBr BIPG1324 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.8 CC(O)(CF)CF PC56327 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.9 CCC(CC)[Mg]Br OR320131 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.9 CCN(CC)CC OR322028 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.9 CCN(CC)CC PC0945 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.9 CCN(CC)CC PC11105 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.9 CC[O+](CC)CC PC7110 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.9 CC[O+](CC)CC PC9262 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.5 CCCC(N)CC(=O)O OR307567 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.5 CCOC(=O)C[C@@H](C)O OR304079 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.24 CCC(C)CC(F)(F)F PC450075 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.24 C[N+](C)(C)C[C@H](O)CCl OR322303 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.1 CCNCC(=O)OCC OR346255 [0,2,0,0,0,0|0,0,2]=4 221 B8R0.1 CCOC(=O)CCCN OR322295 [0,2,0,0,0,0|0,0,2]=4 222 B8R0.1 COCCN(C)CCO OR305582 [0,2,0,0,0,0|2,0,0]=4 223 B8R0.6 CCCCCC(O)CC OR10038 [0,2,0,0,0,0|0,0,0]=2 224 B8R0.6 CCCCC[C@@H](O)CCl OR304095 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.6 CCCCC[C@H](O)CCl OR304096 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.6 N#CC(O)CCCCO OR471070 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.9 CC(=O)OCC(O)CCl OR302162 [0,2,0,0,0,0|1,0,1]=4 228 B8R0.9 CCC(Cl)CCC(=O)Cl OR470809 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.11 CCN(CC)CCCCl OR11722 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.11 CCN(CC)CCNC OR323281 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.14 CCOC(O)C(F)(F)F PC7120 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.14 OCC[C@@H](O)C(F)(F)F PC0616 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.14 OCC[C@@H](O)C(F)(F)F PC49255 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.14 OCC[C@H](O)C(F)(F)F PC0617 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.15 COC(CCN)C(=O)O OR54396 [0,2,0,0,0,0|2,0,0]=4 236 B6R1.2 BrC1CCNC1 OR315575 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.2 CC1=NCCC1 OR30528 [1,0,0,1,0,0|1,0,1]=4 238 B6R1.2 CC1NCCS1 OR322127 [1,0,0,1,0,0|1,1,0]=4 239 B6R1.2 CC1OCCO1 OR460067 [1,0,0,1,0,0|1,0,0]=3 240 B6R1.2 FC1CCCC1 PC3147 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.2 FC1CCNC1 PC405007 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.2 F[C@@H]1CCNC1 PC3455 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.2 F[C@H]1CCNC1 PC6738 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 N[C@H]1CCNC1 OR4631 [1,0,0,1,0,0|2,0,0]=4 245 B6R1.5 CC1CC(C)O1 OR309079 [1,0,0,1,0,0|0,0,0]=2 246 B6R1.5 CN1CC(N)C1 OR308028 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.5 NC1CC(F)C1 PC405503 [1,0,0,1,0,0|2,0,0]=4 248 B6R1.5 N[C@H]1C[C@@H](F)C1 PC420030 [1,0,0,1,0,0|2,0,0]=4 249 B6R1.5 N[C@H]1C[C@@H](N)C1 OR315583 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.5 N[C@H]1C[C@H](F)C1 PC420029 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.10 CC1(C)CCO1 OR309065 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.10 CC1(F)CNC1 PC420023 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.10 CC1(N)CNC1 OR451000 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.10 CC1(N)COC1 OR306108 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.10 CC1(N)COC1 OR308009 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.10 CC1(O)CNC1 OR308021 [1,0,0,1,0,0|1,0,0]=3 257 B6R1.10 CC1(O)COC1 OR309102 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.1 C1CCCCC1 OR460004 [1,0,0,1,0,0|0,0,0]=2 259 B6R1.6 CNC1CNC1 OR309009 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.6 CNC1CNC1 OR317192 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.6 COC1COC1 OR309105 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.6 CSC1CNC1 OR317168 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.6 ClCC1CCO1 OR309081 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.6 ICC1CCO1 OR309082 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.6 ICC1COC1 OR309103 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.6 NCC1CCN1 OR309046 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.6 NCC1CNC1 OR309035 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.6 NCC1COC1 OR308007 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.6 NCC1CSC1 OR312063 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.6 NNC1CCC1 OR306281 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.6 OCC1CCO1 OR308011 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.6 OCC1CNC1 OR309042 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.6 OC[C@@H]1CCN1 OR317201 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.7 NC1(CO)CC1 OR301153 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.1 CN1CCC(C#N)C1 OR300624 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.1 CN1CCC(CCl)C1 OR470762 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.4 CC1CC(O)CCO1 OR321472 [0,1,0,1,0,0|0,0,0]=2 278 B8R1.4 CN1CCCC(Br)C1 OR470080 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.4 C[C@H]1CN(C)CCN1 OR302733 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 OR317295 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.2 BrCC1CCCNC1 OR471031 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.2 C#CC1CCCCN1 OR302454 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.2 C#CC1CCOCC1 OR55577 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.2 CCC1CNCCO1 OR308183 [0,1,0,1,0,0|0,0,0]=2 285 B8R1.2 CC[C@@H]1CNCCO1 OR308185 [0,1,0,1,0,0|0,0,0]=2 286 B8R1.2 CC[C@@H]1COCCN1 OR308178 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.2 CC[C@H]1CNCCO1 OR308184 [0,1,0,1,0,0|0,0,0]=2 288 B8R1.2 CNC1CCNCC1 OR470425 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.2 COC1CCCNC1 OR302757 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.2 ClCC1CCNCC1 OR471034 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.2 ClCC1OCCCO1 OR346179 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.2 Cl[Mg]C1CCCCC1 OR320010 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.2 Cl[Mg]C1CCCCC1 OR320012 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.2 Cl[Mg]C1CCCCC1 OR320013 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.2 FCC1CCCNC1 PC400517 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.2 FCC1CCNCC1 PC430318 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.2 ICC1CCNCC1 OR471030 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.2 N#CC1CCCCN1 OR302432 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.2 N#CC1CCCNC1 OR302369 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.2 NNC1CCNCC1 OR310384 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.2 NNC1CCSCC1 OR300159 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.2 OCC1CCCNC1 OR302390 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.2 OCC1CCCNC1 OR350315 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.2 OCC1CNCCO1 OR308192 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.2 OCC1CNCCO1 OR315521 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.2 OCC1COCCN1 OR308163 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.2 OC[C@@H]1CNCCO1 OR308169 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.2 OC[C@H]1CNCCO1 OR308168 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.3 C=C1CCC(C)CC1 OR311182 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.3 CC1CCC(O)CC1 OR10029 [0,1,0,1,0,0|0,0,0]=2 311 B8R1.3 CC1COC(C)CN1 OR53184 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.3 CN1CCC(Br)CC1 OR471196 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.3 C[C@H]1CN[C@H](C)CN1 OR350142 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.3 N[C@H]1CC[C@@H](O)CC1 OR350015 [0,1,0,1,0,0|0,0,0]=2 315 B8R1.3 O=C1CCC(F)CC1 PC409038 [0,1,0,1,0,0|0,0,2]=4 316 B8R1.3 OC1CSC(O)CS1 OR01631 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.5 CC1CCCCC1N OR322011 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.5 CC1COCCC1=O OR302159 [0,1,0,1,0,0|0,0,2]=4 319 B8R1.5 C[C@@H]1CCCC[C@@H]1N OR471351 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.5 C[C@H]1CCCC[C@H]1N OR471352 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.5 C[C@H]1COCC[C@H]1N OR302579 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.5 FC1CCCCC1Br PC8345 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.5 NC1CCNCC1O OR480288 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.5 N[C@@H]1CCOC[C@@H]1F PC430256 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.5 N[C@H]1CCOC[C@@H]1F PC430255 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.5 O=C1CCCCC1F PC201281 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.5 O[C@@H]1CNCC[C@H]1F PC409062 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.10 CNCCC1CCC1 OR451079 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.10 OCCCC1CNC1 OR312190 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.22 NC1CCCCCC1 OR10092 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.22 O=C1CCCCSC1 OR8959 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.38 COC(=O)C1CCO1 OR309107 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.38 N[C@@H](CO)C1CCC1 OR451077 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.38 N[C@H](CO)C1CCC1 OR451078 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.52 NCC1(O)CCCC1 OR321461 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.52 OCC1(O)CCNC1 OR306500 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.7 CC(C)C1=NCCO1 OR323276 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.7 O=C(O)[C@H]1CCCO1 OR315017 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.6 CN1CC(CCO)C1 OR317166 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.8 CCN[C@H]1CCNC1 OR322670 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.8 NCCC1CCCC1 OR322275 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.8 NNCC1CCCC1 OR322929 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.11 CN1CCC[C@@H]1CO OR315047 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.11 N[C@H]1CCC[C@H]1CO OR307659 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.66 CC1(CCI)COC1 OR309094 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.66 CC1(CCO)COC1 OR309093 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.66 CNCC1(C)COC1 OR312012 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.66 NC1(CCO)CCC1 OR312122 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.66 NC1(CCO)COC1 OR312024 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.66 NC1(CCO)CSC1 OR312120 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.66 NCCC1(O)COC1 OR312045 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.72 CC1(C)CCCNC1 OR480206 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.72 CC1(F)CCNCC1 PC409056 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.72 CC1(N)CCCCC1 OR322313 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.72 CC1(O)CCNCC1 OR52368 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.72 CC1(O)CCOCC1 OR451221 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.72 FC1(F)CCCCC1 PC0686 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.72 FC1(F)CCCNC1 PC9831 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.72 FC1(F)CCNCC1 PC401503 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.72 FC1(F)CCNCC1 PC5304 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.60 CCC1(C#N)COC1 OR317262 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.60 CCC1(CN)COC1 OR317046 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.60 CCC1(NC)COC1 OR306112 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.60 COC1(OC)CSC1 OR312058 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.60 NCC1(CO)CCC1 OR317108 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.60 OCC1(CCl)COC1 OR309056 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.60 OCC1(CI)COC1 OR309104 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.60 OCC1(CO)CNC1 OR470820 [0,1,0,1,0,0|2,0,0]=4 369 B8R2.34 C1CC2CC1CN2 OR302439 [0,0,0,2,0,0|1,0,0]=3 370 B8R2.34 C1N[C@H]2CN[C@@H]1C2 OR315594 [0,0,0,2,0,0|2,0,0]=4 371 B8R2.34 C1OC2CNC1C2 OR302734 [0,0,0,2,0,0|1,0,0]=3 372 B8R2.34 C1O[C@@H]2CN[C@H]1C2 OR315518 [0,0,0,2,0,0|1,0,0]=3 373 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 OR52583 [0,0,0,2,0,0|1,0,0]=3 374 B8R2.23 C1NCC2CC1C2 OR312192 [0,0,0,2,0,0|2,0,0]=4 375 B8R2.25 C1CCC2NC2C1 OR340186 [0,0,0,2,0,0|1,0,0]=3 376 B8R2.42 C1CC2(CNC2)O1 OR312196 [0,0,0,2,0,0|1,0,0]=3 377 B8R2.42 C1CC2(COC2)N1 OR309126 [0,0,0,2,0,0|2,0,0]=4