0 B5R0.2 C#CCCCC OR0049 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCCCl OR14511 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCCCO OR5518 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C=CCCCBr OR30608 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C=COCCO OR904259 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.2 CCC#CCC OR5524 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CCC#CCO OR5519 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 CCCCC=O OR5422 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCCCBr OR5396 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CCCCCI OR53033 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCCCCN OR10079 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCCCCO OR5324 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCCC[Mg]Br OR320111 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCCN=C=S OR30307 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 CCNCCN OR6517 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 CCO\C=C/Br OR10832 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.2 CCSCCCl OR10841 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.2 CCSCCN OR8640 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.2 CNCCCO OR309167 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.2 CNCCNC OR322130 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.2 COCCCBr OR911631 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.2 COCCCN OR54484 [0,0,0,0,0,0|2,1,0]=3 22 B5R0.2 COCCCO OR0976 [0,0,0,0,0,0|2,1,0]=3 23 B5R0.2 CSCCCN OR12831 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.2 ClCCCCBr OR919950 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.2 ClCCCCI OR61420 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.2 ICCCCI OR460062 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.2 N#CCCCBr OR45083 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.2 O=C=NCCCl OR6436 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.2 OCCCCBr OR4233 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.2 OCCCCCl OR13226 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.2 S=C=NCCBr OR4186 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.2 S=C=NCCCl OR322152 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.2 BrCCCBr OR0972 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.2 C#CCCC OR5512 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 C#CCCO OR1952 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C#COCC OR4769 [1,0,0,0,0,0|1,1,1]=4 37 B4R0.2 C=CCCBr OR8033 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.2 C=CCNC OR3619 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 CC#CCBr OR5530 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 CC#CCO OR14505 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 CC=CCCl OR5497 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 CCCC#N OR9437 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 CCCCBr OR460056 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CCCCI OR3174 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 CCOC=O OR28814 [1,0,0,0,0,0|2,1,0]=4 48 B4R0.2 CNCCN OR6516 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 COCC#N OR5269 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.2 COCCBr OR11137 [1,0,0,0,0,0|1,1,0]=3 51 B4R0.2 COCCN OR59868 [1,0,0,0,0,0|1,1,0]=3 52 B4R0.2 CSCCN OR4873 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.2 C\C=C\CCl OR51978 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 ClCCCCl OR0973 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.2 ClCCCI OR2939 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 ICCCI OR4510 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 N#CCCBr OR322150 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 N#CCCO OR3049 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.2 NCCCBr OR322151 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.2 NNCCO OR9124 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.2 OCCCBr OR0978 [1,0,0,0,0,0|2,1,0]=4 62 B4R0.2 OCCCCl OR0977 [1,0,0,0,0,0|2,1,0]=4 63 B6R0.1 CCCC(=N)NO OR12351 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CCCC(C)C=O OR40018 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.1 CNC(=O)CCN OR16480 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.1 CNC(=O)CCN OR51734 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 CNCC(=O)OC OR26803 [0,1,0,0,0,0|2,1,0]=4 68 B6R0.1 CNCC(O)CO OR13648 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 COC(=O)CCS OR28780 [0,1,0,0,0,0|2,1,0]=4 70 B6R0.1 COC(=O)CSC OR9387 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 COCC(O)CO OR30517 [0,1,0,0,0,0|2,1,0]=4 72 B6R0.4 C=CCCC(C)Br OR55112 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 C=CCC[C@@H](C)O OR304052 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(=O)CCCCl OR10086 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.4 CC(=O)NCCCl OR55006 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 CC(=O)SCC#N OR24381 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 CC(C)=CCCBr OR3008 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.4 CC(C)CN=C=S OR28903 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.4 CCCCB(O)O OR10619 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.4 CCCCC(C)=O OR10020 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 CCCC[C@H](C)O OR304042 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.4 CCCOC(C)=O OR5312 [0,1,0,0,0,0|1,1,0]=3 83 B6R0.4 CN(C)CCCCl OR0910 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.4 CN(C)CCCN OR54483 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.6 BrCCOCCBr OR42237 [0,1,0,0,0,0|2,1,0]=4 86 B6R0.6 C#CCCCCC OR5511 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.6 C#CCCCCCl OR14512 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.6 C#CCCCCN OR939942 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.6 C#CCCCCO OR30592 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.6 C=CCCCCBr OR7533 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.6 C=CCCCCC OR01828 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.6 C=CCCCCCl OR53170 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.6 C=CCCCCO OR14506 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.6 CCCCCC=O OR6051 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.6 CCCCCCCl OR52582 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.6 CCCCCCI OR2177 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.6 CCCCCCN OR5310 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.6 CCCCCCS OR40389 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.6 CCCCCNC OR60037 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.6 CCCCN=C=S OR30240 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.6 CCCNCCC OR19539 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.6 CCC\C=C\C=O OR6052 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.6 CCOCOCC OR51849 [0,1,0,0,0,0|1,1,0]=3 104 B6R0.6 COCCN=C=S OR2781 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.6 COCCOCCl OR4841 [0,1,0,0,0,0|2,1,0]=4 106 B6R0.6 ClCCCCCBr OR24918 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.6 ClCCCCCI OR2936 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.6 ClCCNCCCl OR27981 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.6 ICCOCCI OR18271 [0,1,0,0,0,0|2,1,0]=4 110 B6R0.6 N#CCCCCCl OR10090 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.6 NCCCCCN OR59990 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.6 NCCCCCO OR10081 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.6 NCCCCCO OR51934 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.6 NCCCCCO OR55441 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.6 NCCSCCO OR28868 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.6 OCCCCCCl OR6509 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.6 OCCNCCO OR40730 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.6 OCCOCCO OR59808 [0,1,0,0,0,0|2,1,0]=4 119 B6R1.1 C1=CCNCC1 OR9035 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.1 C1=COCCC1 OR183406 [0,0,0,1,0,0|1,1,1]=4 121 B6R1.1 C1CCNCC1 OR13634 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.1 C1CNCCN1 OR13160 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.1 C1COCCN1 OR13977 [0,0,0,1,0,0|2,1,0]=4 124 B6R1.1 C1COCCO1 OR61424 [0,0,0,1,0,0|2,1,0]=4 125 B6R1.1 C1CSCCN1 OR6523 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.1 C1CSCSC1 OR51910 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 BrC1=CCCC1 OR59361 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 CC1=NCCO1 OR52090 [0,0,0,1,0,0|2,1,0]=4 130 B6R1.2 CC1CCCN1 OR30527 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 CC1CCCO1 OR42160 [0,0,0,1,0,0|1,1,0]=3 132 B6R1.2 CC1CCNC1 OR313066 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 C[C@@H]1CCCN1 OR15684 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 C[C@@H]1CCCN1 OR18417 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 C[C@@H]1CCCN1 OR4617 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 C[C@H]1CCCN1 OR460046 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 C[C@H]1CCCN1 OR4618 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 C[C@H]1CCNC1 OR313067 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 IC1CCOC1 OR52585 [0,0,0,1,0,0|2,1,0]=4 141 B6R1.2 I[C@@H]1CCOC1 OR52586 [0,0,0,1,0,0|2,1,0]=4 142 B6R1.2 NC1=NCCS1 OR3199 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.2 NC1CC=CC1 OR301049 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.2 NC1CCCC1 OR10097 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.2 NC1CCNC1 OR52187 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.2 NC1CCOC1 OR301034 [0,0,0,1,0,0|2,1,0]=4 147 B6R1.2 NC1CCOC1 OR40690 [0,0,0,1,0,0|2,1,0]=4 148 B6R1.2 N[C@@H]1CCOC1 OR322597 [0,0,0,1,0,0|2,1,0]=4 149 B6R1.2 N[C@@H]1CCOC1 OR4604 [0,0,0,1,0,0|2,1,0]=4 150 B6R1.2 N[C@H]1CCOC1 OR322596 [0,0,0,1,0,0|2,1,0]=4 151 B6R1.2 O=C1CCCC1 OR10095 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.2 O=C1CCSC1 OR5506 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 OC1CCCC1 OR10094 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 OC1CCNC1 OR9068 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.2 O[C@@H]1CCNC1 OR15681 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.2 O[C@@H]1CCNC1 OR4628 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.2 O[C@@H]1CCOC1 OR4601 [0,0,0,1,0,0|2,1,0]=4 158 B6R1.2 O[C@H]1CCNC1 OR15682 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.2 O[C@H]1CCNC1 OR4627 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.2 O[C@H]1CCOC1 OR4603 [0,0,0,1,0,0|2,1,0]=4 161 B6R1.2 S=C1CCCN1 OR22113 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.3 BrCCC1CC1 OR41170 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.3 CCNC1CC1 OR470784 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.3 NCCC1CC1 OR19507 [0,0,0,1,0,0|3,0,0]=4 165 B6R1.3 O=C=NC1CC1 OR307001 [0,0,0,1,0,0|3,0,0]=4 166 B6R1.3 S=C=NC1CC1 OR30127 [0,0,0,1,0,0|3,0,0]=4 167 B6R1.6 BrCC1CCC1 OR451132 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.6 BrCC1CCO1 OR309080 [0,0,0,1,0,0|2,1,0]=4 169 B6R1.6 BrCC1COC1 OR315564 [0,0,0,1,0,0|2,1,0]=4 170 B6R1.6 CNC1COC1 OR308005 [0,0,0,1,0,0|2,1,0]=4 171 B6R1.6 COC1CNC1 OR301086 [0,0,0,1,0,0|2,1,0]=4 172 B6R1.6 N#CC1CCC1 OR317271 [0,0,0,1,0,0|3,0,0]=4 173 B6R1.6 NCC1CCC1 OR308087 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.6 NCC1CCC1 OR312056 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.6 NCC1CCO1 OR61268 [0,0,0,1,0,0|2,1,0]=4 176 B6R1.6 O=CC1CCC1 OR313071 [0,0,0,1,0,0|3,0,0]=4 177 B6R1.6 OCC1CCC1 OR61204 [0,0,0,1,0,0|3,0,0]=4 178 B6R1.6 OCC1CCN1 OR309020 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.6 OCC1CNC1 OR308022 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.6 OCC1COC1 OR308006 [0,0,0,1,0,0|2,1,0]=4 181 B6R1.6 OC[C@H]1CCN1 OR317202 [0,0,0,1,0,0|3,0,0]=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=CCC OR8591 [2,0,0,0,0,0|0,0,2]=4 185 B3R0.1 CC#CC OR52506 [2,0,0,0,0,0|0,0,2]=4 186 B3R0.1 CC=CC OR61316 [2,0,0,0,0,0|0,0,2]=4 187 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,1,1]=4 188 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|0,0,0]=2 189 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,0]=3 190 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,0]=3 191 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,0]=3 192 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|1,0,0]=3 193 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 196 B3R0.1 CNOC OR12778 [2,0,0,0,0,0|1,1,0]=4 197 B3R0.1 COCBr OR11138 [2,0,0,0,0,0|1,1,0]=4 198 B3R0.1 CSCCl OR39998 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.1 C\C=C\C OR4472 [2,0,0,0,0,0|0,0,2]=4 200 B3R0.1 ClCCI OR51875 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 ICCI OR2622 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 NCCBr OR1160 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.1 NCCS OR9920T [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 OCCBr OR30640 [2,0,0,0,0,0|1,1,0]=4 205 B5R0.1 C=CC[C@H](C)O OR304051 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 CC(C)CC#N OR52674 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.1 CC(C)CCI OR8220 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.1 CC(C)CCN OR12816 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 CC(C)CCO OR460021 [1,1,0,0,0,0|1,1,0]=4 210 B5R0.1 CC(C)CNN OR0203 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.1 CC(C)C[Mg]Br OR52618 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.1 CC(O)CC#N OR2847 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.1 CCCB(O)O OR8415 [1,1,0,0,0,0|1,1,0]=4 214 B5R0.1 CCCC(=O)O OR6005 [1,1,0,0,0,0|1,1,0]=4 215 B5R0.1 CCCC(=O)[O-] OR8783 [1,1,0,0,0,0|1,1,0]=4 216 B5R0.1 CCCC(C)N OR10075 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.1 CN(C)CCN OR6514 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.1 CSCC(=O)O OR4573 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.1 C[C@@H](O)CCO OR2223 [1,1,0,0,0,0|1,1,0]=4 220 B5R0.3 CCC(Br)CBr OR70073 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.3 CCC(C)CN OR28802 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.3 CCC(C)NN OR318093 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.3 CCC(C)OC OR14508 [1,1,0,0,0,0|0,1,0]=3 224 B5R0.3 CCC(N)CC OR10080 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 CCC(N)CO OR16670 [1,1,0,0,0,0|1,1,0]=4 226 B5R0.3 CCC(O)CC OR10042 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.3 CCC(O)CN OR1554 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.3 CC[C@@H](N)CO OR5871 [1,1,0,0,0,0|1,1,0]=4 229 B5R0.3 CC[C@@H](O)CO OR52088 [1,1,0,0,0,0|1,1,0]=4 230 B5R0.3 CC[C@H](N)CO OR5854 [1,1,0,0,0,0|1,1,0]=4 231 B5R0.3 CN[C@@H](C)CO OR55461 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 CN[C@H](C)CO OR55460 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.3 OCC(O)CS OR61438 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.2 CCC(C)CC(C)C OR52416 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CCC(C)CC(C)N OR2894 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,2,0,0,0,0|1,1,0]=4 237 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,2,0,0,0,0|1,1,0]=4 238 B7R0.3 CCCCC(C)CC OR9114 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.3 CCCC[C@H](N)CO OR316034 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.3 CNCCC(=O)NC OR17002 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.3 COC(=O)CCCN OR22446 [0,2,0,0,0,0|1,1,0]=4 243 B7R0.7 CCCC(=O)OCCl OR16070 [0,2,0,0,0,0|1,1,0]=4 244 B7R0.7 CCCC(N)CCC OR6158 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.7 CSCC(O)CSC OR23811 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.10 CCC(Br)C(=O)OC OR8824 [0,2,0,0,0,0|1,1,0]=4 247 B7R0.10 CCC(N)C(=O)OC OR322366 [0,2,0,0,0,0|1,1,0]=4 248 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,2,0,0,0,0|1,1,0]=4 249 B7R0.4 CC(=O)NCCCO OR26764 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.4 CCCCCC(C)N OR10072 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.6 C[C@@H](O)CC[C@@H](C)O OR46574 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.6 C[C@H](O)CC[C@H](C)O OR20022 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.8 CS(=O)(=O)SCCN OR0910T [0,2,0,0,0,0|1,0,1]=4 254 B7R0.1 BrCCCCCCBr OR4509 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.1 C#CCCCCCC OR5513 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.1 CCCCCCC=O OR6047 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.1 CCCCCCCBr OR2158 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.1 CCCCCCCCl OR18055 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.1 CCCCCCCI OR5427 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.1 CCCCCC[Mg]Cl OR320008 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.1 CCCCCOCC OR51880 [0,2,0,0,0,0|1,1,0]=4 262 B7R0.1 CCCCNCCN OR6518 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.1 ICCCCCCI OR3172 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.1 NCCCCCCN OR8838 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.1 NCCCCCCO OR13708 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.1 OCCCCCCBr OR10365 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.1 OCCCCCCCl OR6510 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.1 OCCCCCCO OR322268 [0,2,0,0,0,0|2,0,0]=4 269 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|1,0,1]=4 270 B5R1.1 C1CCCC1 OR61603 [1,0,0,1,0,0|1,0,0]=3 271 B5R1.1 C1CCNC1 OR0971 [1,0,0,1,0,0|1,0,0]=3 272 B5R1.1 C1CCOC1 OR30761S [1,0,0,1,0,0|0,1,0]=3 273 B5R1.1 C1CNOC1 OR55263 [1,0,0,1,0,0|1,1,0]=4 274 B5R1.2 BrC1CCC1 OR41168 [1,0,0,1,0,0|2,0,0]=4 275 B5R1.2 BrC1COC1 OR301081 [1,0,0,1,0,0|1,1,0]=4 276 B5R1.2 NC1CCC1 OR59991 [1,0,0,1,0,0|2,0,0]=4 277 B5R1.2 NC1COC1 OR308008 [1,0,0,1,0,0|1,1,0]=4 278 B5R1.2 O=C1CCC1 OR30488 [1,0,0,1,0,0|1,1,0]=4 279 B5R1.2 OC1CNC1 OR1873 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.2 OC1CNC1 OR301160 [1,0,0,1,0,0|2,0,0]=4 281 B5R1.2 OC1COC1 OR60206 [1,0,0,1,0,0|1,1,0]=4 282 B5R1.3 BrCC1CC1 OR28323 [1,0,0,1,0,0|2,0,0]=4 283 B5R1.3 C#CC1CC1 OR11148 [1,0,0,1,0,0|1,0,1]=4 284 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|0,1,0]=3 285 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|0,1,0]=3 286 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|0,1,0]=3 287 B5R1.3 ClCC1CC1 OR460074 [1,0,0,1,0,0|2,0,0]=4 288 B5R1.3 ClC[C@@H]1CO1 OR28971 [1,0,0,1,0,0|1,1,0]=4 289 B5R1.3 ClC[C@H]1CO1 OR28970 [1,0,0,1,0,0|1,1,0]=4 290 B5R1.3 N#CC1CC1 OR0999 [1,0,0,1,0,0|2,0,0]=4 291 B5R1.3 NCC1CC1 OR17033 [1,0,0,1,0,0|2,0,0]=4 292 B5R1.3 NCC1CC1 OR1937 [1,0,0,1,0,0|2,0,0]=4 293 B5R1.3 O=CC1CC1 OR52083 [1,0,0,1,0,0|1,1,0]=4 294 B5R1.3 OCC1CC1 OR6507 [1,0,0,1,0,0|1,1,0]=4 295 B5R1.3 OCC1CO1 OR3778 [1,0,0,1,0,0|1,1,0]=4 296 B5R1.3 OC[C@@H]1CO1 OR70065 [1,0,0,1,0,0|1,1,0]=4 297 B5R1.3 OC[C@H]1CO1 OR42180 [1,0,0,1,0,0|1,1,0]=4 298 B7R1.1 BrCC1CCCC1 OR18584 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.1 BrCC1CCCO1 OR23265 [0,1,0,1,0,0|1,1,0]=4 300 B7R1.1 COC1CCCC1 OR55202 [0,1,0,1,0,0|1,1,0]=4 301 B7R1.1 CO[C@@H]1CCNC1 OR451217 [0,1,0,1,0,0|1,1,0]=4 302 B7R1.1 ICC1CCCC1 OR16976 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.1 NCC1CCCO1 OR10076 [0,1,0,1,0,0|1,1,0]=4 304 B7R1.1 NCC1CCOC1 OR17201 [0,1,0,1,0,0|1,1,0]=4 305 B7R1.1 NC[C@H]1CCCN1 OR307046 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.1 OCC1CCCC1 OR46003 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 OCC1CCCN1 OR13968 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.1 OCC1CCNC1 OR309156 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 OCC1CCOC1 OR322139 [0,1,0,1,0,0|1,1,0]=4 310 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,1,0,1,0,0|1,1,0]=4 312 B7R1.1 OC[C@@H]1CCNC1 OR309158 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.1 OC[C@H]1CCNC1 OR309159 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.2 CC1CCC(C)N1 OR014993 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.2 CC1CCC(C)N1 OR2880 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.2 CN1CCC(O)C1 OR5467 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.2 CN1CC[C@@H](N)C1 OR308141 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 CN1CC[C@H](N)C1 OR308140 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.3 BrC1CCOCC1 OR19531 [0,1,0,1,0,0|1,1,0]=4 323 B7R1.3 CC1=CCCCC1 OR7135 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.3 CC1CCCCN1 OR8797 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.3 CC1CCCNC1 OR5090 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.3 CC1CCNCC1 OR8800 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.3 CC1CCOCO1 OR10967 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.3 CC1CNCCN1 OR4860 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.3 CC1CNCCO1 OR301073 [0,1,0,1,0,0|1,1,0]=4 330 B7R1.3 CC1COCCN1 OR41010 [0,1,0,1,0,0|1,1,0]=4 331 B7R1.3 CN1CCCCC1 OR13633 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.3 CN1CCNCC1 OR18370 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.3 CN1CCOCC1 OR16938 [0,1,0,1,0,0|1,1,0]=4 334 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.3 C[C@@H]1CNCCN1 OR5889 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,1,0,1,0,0|1,1,0]=4 337 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,1,0,1,0,0|1,1,0]=4 338 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,1,0,1,0,0|1,1,0]=4 339 B7R1.3 C[C@H]1CNCCN1 OR5877 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,1,0,1,0,0|1,1,0]=4 341 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,1,0,1,0,0|1,1,0]=4 342 B7R1.3 C[C@H]1COCCN1 OR308174 [0,1,0,1,0,0|1,1,0]=4 343 B7R1.3 IC1CCOCC1 OR9693 [0,1,0,1,0,0|1,1,0]=4 344 B7R1.3 NC1CCCNC1 OR6131 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.3 NC1CCCOC1 OR52254 [0,1,0,1,0,0|1,1,0]=4 346 B7R1.3 NC1CCCOC1 OR70184 [0,1,0,1,0,0|1,1,0]=4 347 B7R1.3 NC1CCNCC1 OR4858 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.3 NC1CCOCC1 OR10342 [0,1,0,1,0,0|1,1,0]=4 349 B7R1.3 NC1CCOCC1 OR10342S [0,1,0,1,0,0|1,1,0]=4 350 B7R1.3 NC1CCOCC1 OR10343 [0,1,0,1,0,0|1,1,0]=4 351 B7R1.3 NC1CCSCC1 OR8412 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.3 NN1CCCCC1 OR30621 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.3 N[C@@H]1CCCNC1 OR4587 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.3 N[C@H]1CCCNC1 OR4585 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.3 O=C1CCCCN1 OR5194 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1CCCCO1 OR10065 [0,1,0,1,0,0|1,1,0]=4 357 B7R1.3 O=C1CCSCC1 OR27391 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.3 OC1CCCNC1 OR350185 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.3 OC1CCCOC1 OR46583 [0,1,0,1,0,0|1,1,0]=4 360 B7R1.3 OC1CCNCC1 OR9943 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.3 OC1CCOCC1 OR14305 [0,1,0,1,0,0|1,1,0]=4 362 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.3 S=C1NCCCS1 OR15461 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.3 SC1CCCCC1 OR5294 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.6 CCNC1COC1 OR312181 [0,1,0,1,0,0|1,1,0]=4 367 B7R1.6 COCC1CNC1 OR309003 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.6 ClCCN1CCC1 OR0988 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.6 NCCN1CCC1 OR54542 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.6 OCCC1COC1 OR309064 [0,1,0,1,0,0|1,1,0]=4 371 B7R1.10 COC1CC(N)C1 OR317064 [0,1,0,1,0,0|1,1,0]=4 372 B7R1.10 CO[C@H]1C[C@@H](Br)C1 OR55390 [0,1,0,1,0,0|1,1,0]=4 373 B7R1.25 CC1(CO)CSC1 OR312064 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.7 CCCCC1CO1 OR17696 [0,1,0,1,0,0|1,1,0]=4 375 B7R1.14 CC1(N)CCCC1 OR52580 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.24 C1CNCCNC1 OR0503 [0,1,0,1,0,0|2,0,0]=4 377 B7R2.13 C1CC2OC2C1 OR4849 [0,0,0,2,0,0|1,1,0]=4 378 B7R2.13 C1NCC2CC12 OR40404 [0,0,0,2,0,0|2,0,0]=4