0 B5R0.1 C=CC[C@H](C)O OR304051 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 C=CNC(C)=O OR938950 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)=CCBr OR46013 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 CC(C)=CCCl OR22167 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CC(C)=C[Mg]Br OR320001 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(C)=C[Mg]Cl OR320002 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(C)CC#N OR52674 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC(C)CCI OR8220 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(C)CCN OR12816 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 CC(C)CCO OR460021 [0,0,0,0,0,0|0,0,2]=2 10 B5R0.1 CC(C)CNN OR0203 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(C)C[Mg]Br OR52618 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CC(C)N=C=S OR30306 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.1 CC(O)CC#N OR2847 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCCC(C)N OR10075 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CN(C)CCN OR6514 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 C[C@@H](O)CCO OR2223 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C#CC(C)O OR01834 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C#C[C@@H](C)O OR16943 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C#C[C@H](C)O OR40593 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|0,0,3]=4 22 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|0,0,3]=4 26 B4R0.1 C=CC(C)C OR460043 [1,0,0,0,0,0|0,0,1]=2 27 B4R0.1 C=CC(C)Cl OR55516 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(=O)C=O OR53061 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(=O)C=O OR5752 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(C)=CCl OR16424 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(C)C=O OR322092 [1,0,0,0,0,0|0,0,0]=1 33 B4R0.1 CC(C)CI OR2195 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CC(C)NN OR7919 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)NO OR59437 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(C)ON OR933332 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(C)[Mg]Br OR320105 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(C)[Mg]Br OR320106 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(C)[Mg]Cl OR320107 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CN(C)C#N OR12758 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 C[C@@H](N)CO OR0903 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 C[C@@H](O)CN OR304058 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@H](N)CO OR5875 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 C[C@H](O)CN OR30797 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 C\C(Cl)=C/Cl OR460035 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 O=CC(=O)O OR52099 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 BrCCCBr OR0972 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 C#CCCC OR5512 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.2 C#CCCO OR1952 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 C#COCC OR4769 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 C=CCCBr OR8033 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.2 C=CCNC OR3619 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 C=CC[Mg]Br OR320140 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 C=CC[Mg]Br OR320141 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.2 C=CC[Mg]Cl OR320143 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.2 C=CC[Mg]Cl OR320144 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 CC=CCCl OR5497 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 CCCC#N OR9437 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 CCCCBr OR460056 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 CCCCI OR3174 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.2 CCOC=O OR28814 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.2 CNCCN OR6516 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 COCC#N OR5269 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 COCCBr OR11137 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 COCCN OR59868 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CSCCN OR4873 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 C\C=C\CCl OR51978 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 ClCCCCl OR0973 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 ClCCCI OR2939 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 ICCCI OR4510 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 N#CCCBr OR322150 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 N#CCCO OR3049 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 NCCCBr OR322151 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 NNCCO OR9124 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.2 OCCCBr OR0978 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 OCCCCl OR0977 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.1 CCCC(C)C=O OR40018 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.1 CNCC(O)CO OR13648 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 COCC(O)CO OR30517 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 OCC[C@@H](O)CO OR4602 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.1 OCC[C@H](O)CO OR5242 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.2 CC(=O)C=C(C)N OR1506 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.2 CC(=O)CC(C)=O OR16430 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.2 CC(=O)CC(C)C OR61047 [0,1,0,0,0,0|0,0,0]=1 94 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.2 CC(C)=CC(=O)Cl OR29360 [0,1,0,0,0,0|0,0,2]=3 96 B6R0.2 CC(C)=CC(=O)O OR46069 [0,1,0,0,0,0|0,0,2]=3 97 B6R0.2 CC(C)=C[N+](=O)[O-] OR310840 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.2 CC(C)CB(O)O OR14160 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.2 CC(C)CC(=O)O OR2260 [0,1,0,0,0,0|0,0,0]=1 100 B6R0.2 CC(C)CC(N)=O OR22499 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.2 CC(C)NC(C)C OR1090 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.2 CC(C)NC(C)C OR12657 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.2 CC(C)OC(C)C OR30780 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.2 CC(O)CC(C)O OR10041 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.2 CN(C)CC(=O)O OR45130 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.2 NC(=O)CC(N)=O OR5304 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 NC(=O)C[N+](=O)[O-] OR13268 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.2 O=C(Cl)CC(=O)Cl OR46548 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.2 O=C(O)CC(=O)O OR0786 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CC(C)C(=N)NO OR40109 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.3 CC(C)C(=O)CBr OR346253 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.3 CC(C)C(N)CO OR17684 [0,1,0,0,0,0|0,0,2]=3 114 B6R0.3 CC(C)[C@@H](N)CO OR5885 [0,1,0,0,0,0|0,0,2]=3 115 B6R0.3 CC(C)[C@H](N)CO OR5874 [0,1,0,0,0,0|0,0,2]=3 116 B6R0.4 C=CCCC(C)Br OR55112 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.4 C=CCC[C@@H](C)O OR304052 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.4 CC(C)=CCCBr OR3008 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.4 CC(C)CN=C=S OR28903 [0,1,0,0,0,0|0,1,1]=3 120 B6R0.4 CCCC[C@H](C)O OR304042 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.4 CN(C)C=CC#N OR7503 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 CN(C)CCCCl OR0910 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.4 CN(C)CCCN OR54483 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 CN(C)CCNN OR59434 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.5 C=CC[Si](C)(C)Cl OR55393 [0,1,0,0,0,0|1,1,0]=3 126 B6R0.5 CC(C)(C)C[Mg]Cl OR320003 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.5 CC(C)(C)N=C=S OR322172 [0,1,0,0,0,0|1,1,1]=4 128 B6R0.5 CC(C)(C)ON=O OR2337 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.5 CC(C)(O)CCN OR60244 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.5 CC(C)(O)CCO OR16608 [0,1,0,0,0,0|0,0,2]=3 131 B6R0.5 CCCC(C)(C)N OR30986 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.5 C[N+](C)(C)CC=O OR2501 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.5 C[P+](C)(C)CC#N OR310566 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.5 C[Si](C)(C)CCO OR4827 [0,1,0,0,0,0|0,1,2]=4 135 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 CC1CCCN1 OR30527 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 CC1CCCO1 OR42160 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 CC1CCNC1 OR313066 [0,0,0,1,0,0|1,0,1]=3 139 B6R1.2 C[C@@H]1CCCN1 OR15684 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 C[C@@H]1CCCN1 OR18417 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 C[C@@H]1CCCN1 OR4617 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 C[C@H]1CCCN1 OR460046 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 C[C@H]1CCCN1 OR4618 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 C[C@H]1CCNC1 OR313067 [0,0,0,1,0,0|1,0,1]=3 145 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 IC1CCOC1 OR52585 [0,0,0,1,0,0|1,0,2]=4 147 B6R1.2 I[C@@H]1CCOC1 OR52586 [0,0,0,1,0,0|1,0,2]=4 148 B6R1.2 NC1CC=CC1 OR301049 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 NC1CCCC1 OR10097 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.2 NC1CCNC1 OR52187 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 NC1CCOC1 OR301034 [0,0,0,1,0,0|1,0,2]=4 152 B6R1.2 NC1CCOC1 OR40690 [0,0,0,1,0,0|1,0,2]=4 153 B6R1.2 N[C@@H]1CCOC1 OR322597 [0,0,0,1,0,0|1,0,2]=4 154 B6R1.2 N[C@@H]1CCOC1 OR4604 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.2 N[C@H]1CCOC1 OR322596 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.2 O=C1CC=CC1 OR313063 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 OC1CCCC1 OR10094 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 OC1CCNC1 OR9068 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.2 O[C@@H]1CCNC1 OR15681 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 O[C@@H]1CCNC1 OR4628 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 O[C@@H]1CCOC1 OR4601 [0,0,0,1,0,0|1,0,2]=4 162 B6R1.2 O[C@H]1CCNC1 OR15682 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 O[C@H]1CCNC1 OR4627 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 O[C@H]1CCOC1 OR4603 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.3 BrCCC1CC1 OR41170 [0,0,0,1,0,0|1,0,1]=3 166 B6R1.3 CCNC1CC1 OR470784 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.3 NCCC1CC1 OR19507 [0,0,0,1,0,0|1,0,1]=3 168 B6R1.3 O=C=NC1CC1 OR307001 [0,0,0,1,0,0|1,0,1]=3 169 B6R1.3 S=C=NC1CC1 OR30127 [0,0,0,1,0,0|1,1,1]=4 170 B6R1.5 CN1CC(N)C1 OR313027 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.5 CN1CC(O)C1 OR308027 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.5 CN1CC(O)C1 OR317154 [0,0,0,1,0,0|1,0,2]=4 173 B6R1.5 NC1CC(=O)C1 OR308095 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.5 NC1CC(O)C1 OR317063 [0,0,0,1,0,0|1,0,2]=4 175 B6R1.5 N[C@H]1C[C@@H](O)C1 OR308097 [0,0,0,1,0,0|1,0,2]=4 176 B6R1.5 N[C@H]1C[C@H](O)C1 OR308098 [0,0,0,1,0,0|1,0,2]=4 177 B6R1.10 CC1(C)CNC1 OR313047 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.10 CC1(C)COC1 OR309099 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.10 C[Si]1(C)CCC1 OR52271 [0,0,0,1,0,0|1,1,1]=4 180 B6R1.11 CC(N)C1CC1 OR7051 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.11 CC(O)C1CC1 OR54516 [0,0,0,1,0,0|2,0,1]=4 182 B3R0.1 BrCCI OR460045 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 C#CCC OR19587 [2,0,0,0,0,0|0,0,2]=4 184 B3R0.1 C=CCBr OR16937 [2,0,0,0,0,0|1,0,1]=4 185 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|0,0,1]=3 186 B3R0.1 C=CCCl OR3848 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.1 C=CCI OR460034 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|1,0,1]=4 189 B3R0.1 CC=CCl OR40493 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,0]=2 191 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|0,0,1]=3 192 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,0]=3 193 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,0]=3 195 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|1,0,1]=4 196 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 197 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 COCBr OR11138 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 CSCCl OR39998 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 C\C=C/Cl OR4546 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|1,0,1]=4 203 B3R0.1 C\C=C\Cl OR6595 [2,0,0,0,0,0|1,0,1]=4 204 B3R0.1 ClCCI OR51875 [2,0,0,0,0,0|2,0,0]=4 205 B3R0.1 ICCI OR2622 [2,0,0,0,0,0|2,0,0]=4 206 B3R0.1 NCCBr OR1160 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.1 NCCS OR9920T [2,0,0,0,0,0|1,1,0]=4 208 B3R0.1 OCCBr OR30640 [2,0,0,0,0,0|1,0,1]=4 209 B3R0.2 C=C(C)Br OR55140 [2,0,0,0,0,0|1,0,1]=4 210 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|0,0,1]=3 211 B3R0.2 C=C(C)Cl OR1897 [2,0,0,0,0,0|1,0,1]=4 212 B3R0.2 CC(=O)Br OR1943 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|1,0,1]=4 215 B3R0.2 CC(=O)[O-] OR11032 [2,0,0,0,0,0|1,0,1]=4 216 B3R0.2 CC(=O)[S-] OR59966 [2,0,0,0,0,0|1,0,1]=4 217 B3R0.2 CC(C)I OR4540 [2,0,0,0,0,0|1,0,0]=3 218 B3R0.2 CC(C)N OR61315 [2,0,0,0,0,0|1,0,0]=3 219 B3R0.2 CC(Cl)Cl OR3712 [2,0,0,0,0,0|2,0,0]=4 220 B3R0.2 CC(N)=O OR16407 [2,0,0,0,0,0|1,0,1]=4 221 B3R0.2 CN(C)C OR5415 [2,0,0,0,0,0|1,0,0]=3 222 B3R0.2 CS(=O)[O-] OR42101 [2,0,0,0,0,0|2,0,0]=4 223 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|1,0,0]=3 224 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|1,0,1]=4 225 B3R0.2 C[SiH](C)C OR17012 [2,0,0,0,0,0|0,1,0]=3 226 B5R0.3 CC(C=O)=CN OR2402 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.3 CCC(Br)CBr OR70073 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.3 CCC(C)CN OR28802 [1,1,0,0,0,0|0,0,1]=3 229 B5R0.3 CCC(C)NN OR318093 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 CCC(C)OC OR14508 [1,1,0,0,0,0|0,0,1]=3 231 B5R0.3 CCC(N)CC OR10080 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.3 CCC(N)CO OR16670 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 CCC(O)CC OR10042 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 CCC(O)CN OR1554 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 CC[C@@H](N)CO OR5871 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 CC[C@@H](O)CO OR52088 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 CC[C@H](N)CO OR5854 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CN[C@@H](C)CO OR55461 [1,1,0,0,0,0|0,0,1]=3 239 B5R0.3 CN[C@H](C)CO OR55460 [1,1,0,0,0,0|0,0,1]=3 240 B5R0.3 ClCC(Br)CBr OR1177 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.3 NC(CO)CO OR5368 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.3 NCC(O)CN OR1859 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.3 NCC(O)CO OR10134 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.3 NC[C@H](O)CO OR42150 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.3 O=CC(Br)C=O OR9497 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.3 O=CC(Cl)C=O OR17624 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.3 OC(CBr)CBr OR1061 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.3 OC(CCl)CCl OR61346 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.3 OCC(Br)CBr OR4897 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.3 OCC(O)CBr OR3095 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.3 OCC(O)CS OR61438 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.4 C#CC(C)(C)C OR11141 [1,1,0,0,0,0|0,0,2]=4 253 B5R0.4 C#CC(C)(C)Cl OR13593 [1,1,0,0,0,0|0,0,2]=4 254 B5R0.4 C#CC(C)(C)N OR16455 [1,1,0,0,0,0|0,0,2]=4 255 B5R0.4 C=CC(C)(C)C OR28711 [1,1,0,0,0,0|0,0,1]=3 256 B5R0.4 C=C[Si](C)(C)Cl OR315168 [1,1,0,0,0,0|0,1,1]=4 257 B5R0.4 CC(C)(Br)C=O OR52528 [1,1,0,0,0,0|0,0,0]=2 258 B5R0.4 CC(C)(C)C#N OR6535 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.4 CC(C)(C)C=O OR28610 [1,1,0,0,0,0|0,0,0]=2 260 B5R0.4 CC(C)(C)CCl OR460072 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.4 CC(C)(C)CN OR938214 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.4 CC(C)(C)NN OR28606 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.4 CC(C)(C)NO OR24575 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.4 CC(C)(C)NO OR45111 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.4 CC(C)(C)ON OR24583 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.4 CC(C)(C)[Mg]Cl OR320126 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.4 CC(C)(Cl)CCl OR16427 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.4 CC(C)(N)C#N OR315172 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.4 CC(C)(N)CN OR30693 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.4 CC(C)(N)CO OR1740T [1,1,0,0,0,0|0,0,1]=3 271 B5R0.4 CC(C)(O)CCl OR4348 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.4 CC(C)(O)CN OR301207 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.4 CC(C)(O)CO OR310412 [1,1,0,0,0,0|0,0,1]=3 274 B5R0.4 CNC(C)(C)C OR10027 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.4 COC(C)(C)C OR59936 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.4 C[Si](C)(C)CCl OR3470 [1,1,0,0,0,0|1,1,0]=4 277 B5R0.5 C=C(C)C(=O)O OR54367 [1,1,0,0,0,0|0,0,2]=4 278 B5R0.5 C=C(C)C(C)C OR46606 [1,1,0,0,0,0|0,0,1]=3 279 B5R0.5 CC(=O)C(=O)O OR315034 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.5 CC(=O)C(C)=O OR5248 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.5 CC(=O)C(C)Br OR1466 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.5 CC(=O)C(C)C OR5350 [1,1,0,0,0,0|0,0,0]=2 283 B5R0.5 CC(Br)C(=O)Cl OR40726 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.5 CC(Br)C(N)=O OR24705 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.5 CC(C)=C(C)C OR18350 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.5 CC(C)B(O)O OR8880 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.5 CC(C)C(=N)N OR27276 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.5 CC(C)C(=O)Cl OR10005 [1,1,0,0,0,0|0,0,0]=2 289 B5R0.5 CC(C)C(C)C OR53144 [1,1,0,0,0,0|0,0,1]=3 290 B5R0.5 CC(C)C(C)O OR10026 [1,1,0,0,0,0|0,0,1]=3 291 B5R0.5 CN(C)C(=O)Cl OR51817 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.5 CN(C)C(=S)Cl OR28875 [1,1,0,0,0,0|1,1,0]=4 293 B5R0.5 CN(C)C(=S)[S-] OR9121 [1,1,0,0,0,0|1,1,0]=4 294 B5R0.5 CN(C)C(N)=O OR48247 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.5 C[C@@H](O)C(=O)O OR960721 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.5 C[C@@H](O)C(N)=O OR18079 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.5 C[C@H](N)C(N)=O OR22615 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [1,1,0,0,0,0|1,0,1]=4 302 B5R0.5 NC(=O)C(Cl)Cl OR14320 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.5 O=C(Cl)C(Cl)Cl OR5297 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 [C@H](C)(N)C(N)=O OR22614 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.2 C#CCCCC OR0049 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.2 C#CCCCCl OR14511 [1,1,0,0,0,0|1,0,1]=4 307 B5R0.2 C#CCCCO OR5518 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.2 C=CCCCBr OR30608 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.2 C=CCNC=O OR28268 [1,1,0,0,0,0|0,0,2]=4 310 B5R0.2 C=CCOCCl OR53036 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.2 C=COCCO OR904259 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.2 CCCCC=O OR5422 [1,1,0,0,0,0|0,0,0]=2 313 B5R0.2 CCCCCBr OR5396 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.2 CCCCCI OR53033 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.2 CCCCCN OR10079 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.2 CCCCCO OR5324 [1,1,0,0,0,0|0,0,2]=4 317 B5R0.2 CCCC[Mg]Br OR320111 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.2 CCCN=C=S OR30307 [1,1,0,0,0,0|0,1,1]=4 319 B5R0.2 CCNCCN OR6517 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.2 CCO\C=C/Br OR10832 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.2 CCSCCCl OR10841 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.2 CCSCCN OR8640 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 CNCCCO OR309167 [1,1,0,0,0,0|0,0,2]=4 324 B5R0.2 CNCCNC OR322130 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.2 COCCCBr OR911631 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 COCCCN OR54484 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.2 COCCCO OR0976 [1,1,0,0,0,0|0,0,2]=4 328 B5R0.2 CSCCCN OR12831 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 ClCCCCBr OR919950 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 ClCCCCI OR61420 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.2 ICCCCI OR460062 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 N#CCCCBr OR45083 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.2 O=C=NCCCl OR6436 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 OCCCCBr OR4233 [1,1,0,0,0,0|0,0,2]=4 335 B5R0.2 OCCCCCl OR13226 [1,1,0,0,0,0|0,0,2]=4 336 B7R0.2 CC(=O)NC(C)CN OR321289 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,2,0,0,0,0|0,0,2]=4 338 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,2,0,0,0,0|1,0,0]=3 339 B7R0.2 CC(C)NC(=O)CN OR8216 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.2 CC(C=O)=CN(C)C OR24502 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.2 CCC(C)CC(=O)O OR5351 [0,2,0,0,0,0|0,0,0]=2 343 B7R0.2 CCC(C)CC(C)C OR52416 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.2 CCC(C)CC(C)N OR2894 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.2 CCC(N)CC(=O)O OR16680 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.2 COC(=O)C=C(C)C OR7136 [0,2,0,0,0,0|0,0,2]=4 349 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.2 COC(=O)CC(=O)O OR54514 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.2 COC(=O)CC(C)=O OR54474 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.2 NCC(O)CC(=O)O OR1057 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.3 CCC(C)CN=C=S OR30206 [0,2,0,0,0,0|0,1,1]=4 357 B7R0.3 CCCCC(C)CC OR9114 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.3 COC(=O)CCC=O OR313049 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.5 CC(C)C(=O)CC#N OR61296 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.7 CC(CCBr)CCBr OR59902 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.10 COC(=O)C(Cl)C=O OR300674 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.11 CC(C)(C#N)CC=O OR40004 [0,2,0,0,0,0|0,0,0]=2 363 B7R0.11 CC(C)(CCl)CC#N OR14984 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.12 CCC(CC)C[Mg]Br OR320005 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.12 CNCC(OC)OC OR6502 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,2,0,0,0,0|0,0,0]=2 368 B7R0.9 CC(C)(C)NC(N)=S OR30207 [0,2,0,0,0,0|1,1,0]=4 369 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,2,0,0,0,0|0,0,0]=2 371 B7R0.9 CC(C)NS(=O)(=O)Cl OR346199 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.9 C[C@@H](O)CC(C)(C)O OR315010 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.16 CC(=O)C(Cl)C(N)=O OR51821 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,2,0,0,0,0|0,0,0]=2 377 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,2,0,0,0,0|0,0,0]=2 378 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,2,0,0,0,0|0,0,0]=2 379 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,2,0,0,0,0|1,0,1]=4 380 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.13 CC(C)C(C)(N)C#N OR21403 [0,2,0,0,0,0|1,0,1]=4 383 B7R0.14 CC(C)(C)[C@@H](N)CO OR40208 [0,2,0,0,0,0|0,0,2]=4 384 B7R0.14 CC(C)(C)[C@H](N)CO OR26748 [0,2,0,0,0,0|0,0,2]=4 385 B7R0.14 CCC(C)C(C)(C)C OR52415 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.6 CC(=O)C=CC(C)C OR27820 [0,2,0,0,0,0|0,0,1]=3 387 B7R0.6 CC(=O)CCC(C)=O OR8860 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.6 CC(C)CCB(O)O OR360310 [0,2,0,0,0,0|0,0,2]=4 390 B7R0.6 CC(C)CCC(=O)O OR40421 [0,2,0,0,0,0|0,0,0]=2 391 B7R0.6 CC(C)OCC(=O)O OR46564 [0,2,0,0,0,0|0,0,0]=2 392 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [0,2,0,0,0,0|0,0,1]=3 393 B7R0.6 CN(C)C=C[N+](=O)[O-] OR7588 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.8 CC(C)(Cl)CCC#N OR22165 [0,2,0,0,0,0|1,0,1]=4 395 B5R1.2 BrC1CCC1 OR41168 [1,0,0,1,0,0|1,0,1]=4 396 B5R1.2 BrC1COC1 OR301081 [1,0,0,1,0,0|1,0,1]=4 397 B5R1.2 NC1CCC1 OR59991 [1,0,0,1,0,0|1,0,1]=4 398 B5R1.2 NC1COC1 OR308008 [1,0,0,1,0,0|1,0,1]=4 399 B5R1.2 OC1CNC1 OR1873 [1,0,0,1,0,0|2,0,0]=4 400 B5R1.2 OC1CNC1 OR301160 [1,0,0,1,0,0|2,0,0]=4 401 B5R1.2 OC1COC1 OR60206 [1,0,0,1,0,0|1,0,1]=4 402 B5R1.3 BrCC1CC1 OR28323 [1,0,0,1,0,0|1,0,0]=3 403 B5R1.3 C#CC1CC1 OR11148 [1,0,0,1,0,0|0,0,2]=4 404 B5R1.3 C=CC1CO1 OR40458 [1,0,0,1,0,0|1,0,1]=4 405 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|1,0,1]=4 406 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|1,0,1]=4 407 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|1,0,1]=4 408 B5R1.3 ClCC1CC1 OR460074 [1,0,0,1,0,0|1,0,0]=3 409 B5R1.3 ClC[C@@H]1CO1 OR28971 [1,0,0,1,0,0|2,0,0]=4 410 B5R1.3 ClC[C@H]1CO1 OR28970 [1,0,0,1,0,0|2,0,0]=4 411 B5R1.3 N#CC1CC1 OR0999 [1,0,0,1,0,0|1,0,1]=4 412 B5R1.3 NCC1CC1 OR17033 [1,0,0,1,0,0|1,0,0]=3 413 B5R1.3 NCC1CC1 OR1937 [1,0,0,1,0,0|1,0,0]=3 414 B5R1.3 O=CC1CC1 OR52083 [1,0,0,1,0,0|0,0,0]=2 415 B5R1.3 OCC1CC1 OR6507 [1,0,0,1,0,0|0,0,1]=3 416 B5R1.3 OCC1CO1 OR3778 [1,0,0,1,0,0|1,0,1]=4 417 B5R1.3 OC[C@@H]1CO1 OR70065 [1,0,0,1,0,0|1,0,1]=4 418 B5R1.3 OC[C@H]1CO1 OR42180 [1,0,0,1,0,0|1,0,1]=4 419 B5R1.5 CC1(C)CN1 OR303021 [1,0,0,1,0,0|1,0,0]=3 420 B5R1.5 CC1(N)CC1 OR16691 [1,0,0,1,0,0|1,0,1]=4 421 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|1,0,0]=3 422 B5R1.1 C1=CCNC1 OR2396 [1,0,0,1,0,0|2,0,0]=4 423 B5R1.1 C1=CCOC1 OR5462 [1,0,0,1,0,0|2,0,0]=4 424 B5R1.1 C1=COCC1 OR2896 [1,0,0,1,0,0|0,0,2]=4 425 B5R1.1 C1=NCCO1 OR305316 [1,0,0,1,0,0|1,0,1]=4 426 B5R1.1 C1CCCC1 OR61603 [1,0,0,1,0,0|1,0,1]=4 427 B5R1.1 C1CCNC1 OR0971 [1,0,0,1,0,0|1,0,1]=4 428 B5R1.1 C1CCOC1 OR30761S [1,0,0,1,0,0|0,0,2]=4 429 B5R1.1 C1CNOC1 OR55263 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.1 BrCC1CCCC1 OR18584 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.1 COC1CCCC1 OR55202 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.1 CO[C@@H]1CCNC1 OR451217 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.1 ICC1CCCC1 OR16976 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.1 NCC1CCOC1 OR17201 [0,1,0,1,0,0|0,0,2]=4 435 B7R1.1 OCC1CCCC1 OR46003 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.1 OCC1CCNC1 OR309156 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.1 OCC1CCOC1 OR322139 [0,1,0,1,0,0|0,0,2]=4 438 B7R1.1 OC[C@@H]1CCNC1 OR309158 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.1 OC[C@H]1CCNC1 OR309159 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,1,0,1,0,0|0,0,2]=4 441 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.2 O=C1COC(=O)C1 OR15973 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.2 O=C1COC(=O)C1 OR28721 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.3 CC1CCCCN1 OR8797 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.3 CC1CCCNC1 OR5090 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.3 CC1CCNCC1 OR8800 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.3 CC1CCOCO1 OR10967 [0,1,0,1,0,0|0,0,2]=4 452 B7R1.3 CC1CNCCN1 OR4860 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.3 CC1CNCCO1 OR301073 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.3 CC1COCCN1 OR41010 [0,1,0,1,0,0|0,0,2]=4 455 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.3 C[C@@H]1CNCCN1 OR5889 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,1,0,1,0,0|0,0,2]=4 459 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,1,0,1,0,0|0,0,2]=4 460 B7R1.3 C[C@H]1CNCCN1 OR5877 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.3 C[C@H]1COCCN1 OR308174 [0,1,0,1,0,0|0,0,2]=4 464 B7R1.6 COCC1CNC1 OR309003 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.6 OCCC1COC1 OR309064 [0,1,0,1,0,0|0,0,2]=4 466 B7R1.10 C=C1CC(C#N)C1 OR2438 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.10 C=C1CC(CN)C1 OR6220 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.10 CN1CC(CN)C1 OR308029 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.10 CNC1CN(C)C1 OR317230 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.10 COC1CC(N)C1 OR317064 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.10 CO[C@H]1C[C@@H](Br)C1 OR55390 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.10 NCC1CC(O)C1 OR317061 [0,1,0,1,0,0|0,0,2]=4 473 B7R1.10 NC[C@H]1C[C@@H](O)C1 OR308088 [0,1,0,1,0,0|0,0,2]=4 474 B7R1.10 NC[C@H]1C[C@H](O)C1 OR317067 [0,1,0,1,0,0|0,0,2]=4 475 B7R1.10 N[C@H]1C[C@@H](CO)C1 OR308093 [0,1,0,1,0,0|1,0,1]=4 476 B7R1.10 O=C1CC(CBr)C1 OR317135 [0,1,0,1,0,0|0,0,0]=2 477 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,1,0,0|0,0,0]=2 478 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.10 OCC1CC(Cl)C1 OR54434 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.22 NC(CO)C1CC1 OR451109 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.25 CC1(CBr)COC1 OR309052 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.25 CC1(CN)CCC1 OR317109 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.25 CC1(CO)CCO1 OR309085 [0,1,0,1,0,0|0,0,2]=4 484 B7R1.25 CC1(CO)CSC1 OR312064 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.25 COC1(C)CNC1 OR309010 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,1,0,1,0,0|0,0,0]=2 487 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,1,0,1,0,0|0,0,0]=2 488 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.16 CC1(N)CC(O)C1 OR51832 [0,1,0,1,0,0|0,0,2]=4 490 B7R1.16 C[C@]1(N)C[C@@H](O)C1 OR51826 [0,1,0,1,0,0|0,0,2]=4 491 B7R1.16 C[C@]1(O)C[C@@H](N)C1 OR317287 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.16 C[C@]1(O)C[C@H](N)C1 OR317286 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.20 NC(=O)NC1CC1 OR21332 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.20 O=C(O)CC1CC1 OR59893 [0,1,0,1,0,0|0,0,0]=2 495 B7R1.7 S=C=NCC1CC1 OR28489 [0,1,0,1,0,0|0,1,1]=4 496 B7R1.14 CC1(C)COCN1 OR54412 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.14 CC1(N)CCCC1 OR52580 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.26 CC(C)(C)C1CO1 OR925110 [0,1,0,1,0,0|0,0,2]=4 499 B7R2.13 C1NCC2CC12 OR40404 [0,0,0,2,0,0|1,0,1]=4 500 B7R2.5 NC12CC(C1)C2 OR312073 [0,0,0,2,0,0|1,0,1]=4