0 B5R0.3 C#CC(=O)OC P17723 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CBr)CBr 21111 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=C(CCl)CCl 23001 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=C(CO)CO 35347 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C=CC(=O)NC AB9590 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=C[C@@H](O)CO D79949 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.3 CC(CBr)CBr 90917 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CC(CN)CN T72131 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CC(CO)CO D71170 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.3 CCC(=N)NO 22901 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CCC(=O)CBr F10475 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CCC(=O)CO C75383 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.3 CCC(=O)NC D91338 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CCC(=O)NN 20641 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(Br)CC H11324 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CCC(N)CC S12161 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 CCN(C)CC D97580 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CCS(=O)CC D81870 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CC[C@H](Br)CBr D89608 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CC[C@H](C)CBr A10884 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 CC[C@H](C)CCl D89411 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 CC[C@H](C)CI D80608 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 CC[C@H](C)CN F16114 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 CC[C@H](C)CO 88664 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CC[C@H](C)CS D91431 [0,0,0,0,0,0|2,1,1]=4 25 B5R0.3 CC[C@H](N)CO 23160 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 CC[C@H](N)CO D87517 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 CC[C@H](N)CO F14569 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.3 CC[C@H](O)CN D97409 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.3 CC[C@H](O)CO C10640 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.3 CC[C@H](O)CO O10222 [0,0,0,0,0,0|1,0,2]=3 31 B5R0.3 CNC(=O)CBr H10939 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.3 CNC(=O)CCl 28994 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.3 CNC(=O)CN AC1534 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.3 CNC(=O)CN FD21644 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.3 CNC(=O)NC P17517 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.3 CNC(=O)OC 29564 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.3 COC(=O)CN 20047 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.3 COC(=O)CO 39413 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.3 COC(=O)NN P17509 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.3 COC(=O)SCl D91417 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.3 CO[C@@H](C)CO 29137 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.3 CO[C@@H](C)CO 35966 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.3 CSC(=O)SC D89996 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.3 CS\C(C)=N\O A11022 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.3 C[C@@H](CN)CO 78445 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.3 C[C@@H](CN)CO AB10326 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.3 ClCC(Cl)CCl D97722 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.3 NC(CO)CO F10927 [0,0,0,0,0,0|1,0,1]=2 49 B5R0.3 NCC(O)CN O10345 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.3 NC[C@H](O)CCl 91258 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 NC[C@H](O)CCl F14970 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.3 NC[C@H](O)CO 52095 [0,0,0,0,0,0|1,0,2]=3 53 B5R0.3 NC[C@H](O)CO CL4509 [0,0,0,0,0,0|1,0,2]=3 54 B5R0.3 NC[C@H](O)CO H10491 [0,0,0,0,0,0|1,0,2]=3 55 B5R0.3 NNC(=O)CCl F15553 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.3 NNC(=O)CO 71926 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.3 O=C(CBr)CBr 60498 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.3 O=C(CCl)CCl 73299 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.3 O=C(CO)CO S12381 [0,0,0,0,0,0|0,0,0]=0 60 B5R0.3 OC(CBr)CBr 90914 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.3 OCC(O)CO C13300 [0,0,0,0,0,0|0,0,2]=2 62 B5R0.3 OCC(O)CO D92249 [0,0,0,0,0,0|0,0,2]=2 63 B5R0.3 OC[C@H](Cl)CCl D89647 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.3 OC[C@H](O)CBr D84178 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.3 OC[C@H](O)CCl 28070 [0,0,0,0,0,0|1,0,2]=3 66 B5R0.3 OC[C@H](O)CCl 28077 [0,0,0,0,0,0|1,0,2]=3 67 B5R0.3 OC[C@H](O)CS D92320 [0,0,0,0,0,0|0,1,2]=3 68 B5R0.3 OC[C@H](S)CS D89691 [0,0,0,0,0,0|0,2,1]=3 69 B5R0.3 O[C@@H](CCl)CI D79037 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.3 O[C@@H](CCl)CI D79038 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.1 C#CC(=O)O F10329 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C#CC(C)=O F52495 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 C#CC(N)=O BL007595 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 C=C(Br)CBr F15445 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 C=C(Br)CO D84296 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 C=C(C)C=O H10713 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.1 C=C(C)CBr 29319 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 C=C(C)CN 29496 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 C=C(C)CO H10780 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.1 C=C(Cl)CCl D97733 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C=CC(=O)[O-] D88317 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 C=CC(=O)[O-] H10710 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 CC(=N)NO 74820 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CC(=O)CBr 76485 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 CC(=O)CN 24448 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 CC(=O)NBr 70825 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CC(=O)NN AB6005 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(=O)NO 78370 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.1 CC(C)=CBr 29237 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(C)=NO D70154 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 CC(C)CN D70621 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 CC(C)NO 77595 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CCB(O)O 33051 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CCC(=N)N 65202 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CCC(N)=O O12053 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CCC(N)=S AT14776 [1,0,0,0,0,0|2,1,0]=4 97 B4R0.1 CC[C@H](C)O 70716 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.1 CC[C@H](C)O 70832 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.1 CC[S@](=O)[O-] F16489 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CNC(=O)Cl D81983 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.1 CNC(N)=O AC8061 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 COC(N)=O D86342 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.1 CSC(C)=O D82067 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 C[C@H](Cl)CO H11590 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 C[C@H](Cl)CO O10168 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 C[C@H](N)CN 35106 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 C[C@H](N)CN P20461 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 C[C@H](N)CO 28476 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 C[C@H](N)CO 29970 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C[C@H](N)CO 29971 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 C[C@H](O)CCl C10666 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.1 C[C@H](O)CCl D87799 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 C[C@H](O)CCl H11611 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 C[C@H](O)CN 86259 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.1 C[C@H](O)CN 86301 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.1 C[C@H](O)CN A10592 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.1 C[C@H](O)CO A11633 [1,0,0,0,0,0|0,0,2]=3 118 B4R0.1 C[C@H](O)CO A11634 [1,0,0,0,0,0|0,0,2]=3 119 B4R0.1 C\C(N)=N\O 35620 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 N=C(N)CCl F11896 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 N=C(N)CN 20106 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.1 N=C(N)CO C10100 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.1 NC(=O)CBr 35276 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 NC(=O)CI 25452 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 NC(=O)CO D77798 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 NC(=O)NO A10546 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 NCC(=O)O D70890 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.1 NCC(=O)O F21278 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.1 NCC(=O)[O-] D70403 [1,0,0,0,0,0|1,0,1]=3 130 B4R0.1 NCC(=O)[O-] D77927 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.1 NCC(=O)[O-] D84274 [1,0,0,0,0,0|1,0,1]=3 132 B4R0.1 NCC(=O)[O-] D95398 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 NCC(N)=O 20652 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 NCC(N)=O 58529 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 NNC(N)=O D95915 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 O=C(Cl)CBr D87897 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 O=C(Cl)SCl D89346 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 O=C(O)CO D78078 [1,0,0,0,0,0|0,0,0]=1 139 B4R0.1 O=CC(=O)O D70821 [1,0,0,0,0,0|0,0,2]=3 140 B4R0.1 O=CC(=O)O F14188 [1,0,0,0,0,0|0,0,2]=3 141 B4R0.1 O=[N+]([O-])CBr 76484 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 OCC(F)F FD2062 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 ON=C(Br)Br 80656 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.2 C#CCCO 24606 [1,0,0,0,0,0|1,0,2]=4 145 B4R0.2 C=CCCO P16638 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.2 CC#CCO 75486 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 CCNCC D78025 [1,0,0,0,0,0|3,0,0]=4 148 B4R0.2 CCNCC D89842 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.2 CCNCC D90318 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.2 CCOCCl D89215 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.2 CSCCO 28828 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 C\C=C/CC D91891 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 ClCCCI AC1314 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 Cl\C=C\CCl A11332 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 FCCCI S11237 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 ICCCI A10836 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 N#CCCO D77638 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.2 NCCCBr AC7868 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 NCCCCl D70608 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 NCCCO D77871 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.2 NNCCO D77684 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 NOCCO 32348 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 OCCCBr 36754 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 OCCCF 61100 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 OCCCI 75858 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.2 SCCCS F20376 [1,0,0,0,0,0|0,2,1]=4 167 B6R0.1 C#CC(=O)OCC 35931 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.1 C#C\C(C)=C/CO D70132 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.1 C=CC(=O)NCC AB9195 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.1 C=CCC(=O)OC F15018 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.1 C=COC(=O)CCl D95397 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 CCC(=O)CC#N 28991 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.1 CCCC(=O)CC D90801 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.1 CCCC(=O)NN O11707 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 CCCC(=O)SC D91533 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.1 CCC[C@H](N)CO A10468 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.1 CCC[C@H](O)CO 73676 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.1 CCOC(=N)CC W15737 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.1 CCOC(=O)CN C93496 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.1 CCOC(=O)CO 39380 [0,1,0,0,0,0|1,0,0]=2 181 B6R0.1 CCOC(=O)CS F21271 [0,1,0,0,0,0|1,1,0]=3 182 B6R0.1 CCOC(=O)NC D91332 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.1 CCOC(=O)NN D77690 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.1 CCOC(=O)OC A11149 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.1 CCO\C(C)=N\O 23036 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.1 CCO\C(C)=N\O H10740 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.1 CNC(=O)CC#N 23669 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.1 CNCC(=O)NC 71568 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.1 CNCC(=O)OC 73733 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.1 CNC[C@H](O)CO CL4501 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.1 COC(=O)CC#N D77797 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.1 COC(=O)CCBr AB7483 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.1 COC(=O)CCCl D95821 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.1 COC(=O)CCN S12362 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 COC(=O)CCO 29940 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.1 COC(=O)CCS D70327 [0,1,0,0,0,0|2,1,0]=4 197 B6R0.1 COC(=O)CSC D87959 [0,1,0,0,0,0|2,1,0]=4 198 B6R0.1 COCC(=O)NN F14662 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 COC[C@@H](O)CO H10736 [0,1,0,0,0,0|0,0,2]=3 200 B6R0.1 COC[C@H](O)CCl D84795 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.1 CONC(=O)OC D81547 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 C[C@H](CO)CCN 78036 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 C[C@H](CO)CCO 63982 [0,1,0,0,0,0|1,0,1]=3 204 B6R0.1 C[C@H](CO)CCO 70021 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 C\C=C\C(=O)CC 74326 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.1 N#CCC(=O)NN 20467 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.1 O=C(CCl)NCO O10755 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.1 OCC[C@H](O)CCl D94503 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.1 OCC[C@H](O)CO 56159 [0,1,0,0,0,0|0,0,2]=3 210 B6R0.1 OCC[C@H](O)CO 56160 [0,1,0,0,0,0|0,0,2]=3 211 B6R0.1 OCC[C@H](O)CO AC2226 [0,1,0,0,0,0|0,0,2]=3 212 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.3 CC(=O)C(=O)CBr 23277 [0,1,0,0,0,0|1,0,2]=4 214 B6R0.3 CC(C)C(=N)NO 71448 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.3 CC(C)C(=N)NO AC7221 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.3 CC(C)C(=O)CBr 24581 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.3 CC(C)C(=O)NN 71035 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.3 CC(C)[C@@H](N)CO 23132 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.3 CC(C)[C@@H](N)CO 39407 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.3 CC(C)[C@@H](N)CO A10466 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 CC(C)\C(N)=N\O 71215 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.3 CCC(=O)C(=O)O O10846 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.3 CCC(=O)N(C)C A10841 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,1,0,0,0,0|2,0,0]=3 226 B6R0.3 CCC(O)C(C)O D93064 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 CN(C)C(=O)CBr 36126 [0,1,0,0,0,0|3,0,0]=4 229 B6R0.3 CN(C)C(=O)CCl 28569 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.3 CN(C)C(=O)CN 24099 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.3 CN(C)C(=O)CN S10593 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.3 CN(C)C(=O)CO C77616 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.3 CNC(=O)C(=O)O W11373 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.3 COC(=O)C(F)F D91567 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.3 COC(=O)[C@H](C)Cl 63239 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.3 COC(=O)[C@H](C)Cl O10227 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.3 COC(=O)[C@H](C)N AB10084 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.3 COC(=O)[C@H](C)N AC7812 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.3 COC(=O)[C@H](C)N FD21010 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.3 COC(=O)[C@H](C)O C10549 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.3 COC(=O)[C@H](C)O F11215 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [0,1,0,0,0,0|1,0,1]=3 244 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,1,0,0,0,0|1,0,2]=4 247 B6R0.3 O=C(O)C(=O)CBr 21724 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,1,0,0,0,0|0,0,3]=4 250 B6R0.8 CC(C)(CN)CO 35391 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.8 CC(C)(CO)CBr D97756 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.8 CC(C)(CO)CCl D84357 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.8 CC(C)(CO)CO D71071 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.8 NCC(F)(F)CO P12538 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.8 OCC(F)(F)CO F52367 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.9 CCC(CC)CO D78539 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.9 CCC(CO)CO AB3752 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.9 CCN(C=O)CC A10832 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.9 CCN(CC)N=O F14922 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.9 OCC(CO)CO 59936 [0,1,0,0,0,0|0,0,2]=3 261 B6R1.2 Br[C@H]1CCOC1 25079 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 C[C@H]1CCOC1 F16704 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.2 I[C@H]1CCOC1 82009 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.2 N[C@H]1CCOC1 24756 [0,0,0,1,0,0|2,0,1]=4 265 B6R1.2 N[C@H]1CCOC1 29281 [0,0,0,1,0,0|2,0,1]=4 266 B6R1.2 N[C@H]1CCOC1 37020 [0,0,0,1,0,0|2,0,1]=4 267 B6R1.2 N[C@H]1CCOC1 37021 [0,0,0,1,0,0|2,0,1]=4 268 B6R1.2 N[C@H]1CCOC1 53315 [0,0,0,1,0,0|2,0,1]=4 269 B6R1.2 N[C@H]1CCOC1 SC1299 [0,0,0,1,0,0|2,0,1]=4 270 B6R1.2 O=C1C=CCC1 23169 [0,0,0,1,0,0|2,0,1]=4 271 B6R1.2 O=C1CC=CC1 68366 [0,0,0,1,0,0|2,0,0]=3 272 B6R1.2 O=C1CC=NN1 26372 [0,0,0,1,0,0|3,0,0]=4 273 B6R1.2 O=C1CCCN1 D95709 [0,0,0,1,0,0|3,0,0]=4 274 B6R1.2 O=C1CCCN1 D96808 [0,0,0,1,0,0|3,0,0]=4 275 B6R1.2 O=C1CCNC1 65410 [0,0,0,1,0,0|2,0,0]=3 276 B6R1.2 O=C1CCNN1 F15485 [0,0,0,1,0,0|3,0,0]=4 277 B6R1.2 O=C1CCOC1 28102 [0,0,0,1,0,0|1,0,0]=2 278 B6R1.2 O=C1CCSC1 37995 [0,0,0,1,0,0|1,1,0]=3 279 B6R1.2 O=S1CCCC1 D92307 [0,0,0,1,0,0|3,0,0]=4 280 B6R1.2 O[C@H]1CCOC1 37369 [0,0,0,1,0,0|1,0,2]=4 281 B6R1.2 O[C@H]1CCOC1 66692 [0,0,0,1,0,0|1,0,2]=4 282 B6R1.2 O[C@H]1CCOC1 66694 [0,0,0,1,0,0|1,0,2]=4 283 B6R1.2 O[C@H]1CNOC1 31853 [0,0,0,1,0,0|1,0,2]=4 284 B6R1.6 BrCC1COC1 P12750 [0,0,0,1,0,0|2,0,1]=4 285 B6R1.6 ClCC1COC1 29833 [0,0,0,1,0,0|2,0,1]=4 286 B6R1.6 ICC1COC1 80847 [0,0,0,1,0,0|2,0,1]=4 287 B6R1.6 NCC1COC1 66389 [0,0,0,1,0,0|2,0,1]=4 288 B6R1.6 NCC1COC1 F14274 [0,0,0,1,0,0|2,0,1]=4 289 B6R1.6 OCC1CCC1 24520 [0,0,0,1,0,0|2,0,1]=4 290 B6R1.6 OCC1CNC1 SC3671 [0,0,0,1,0,0|2,0,1]=4 291 B6R1.6 OCC1COC1 81312 [0,0,0,1,0,0|1,0,1]=3 292 B6R1.7 CC1(CO)CC1 71010 [0,0,0,1,0,0|2,0,1]=4 293 B6R1.7 C[C@]1(CCl)CO1 29677 [0,0,0,1,0,0|2,0,1]=4 294 B6R1.7 NC1(CO)CC1 80110 [0,0,0,1,0,0|2,0,1]=4 295 B3R0.1 C=CCC F17161 [2,0,0,0,0,0|1,0,1]=4 296 B3R0.1 C=CCI D78530 [2,0,0,0,0,0|1,0,1]=4 297 B3R0.1 C=CC[Pd+] F10003 [2,0,0,0,0,0|1,0,1]=4 298 B3R0.1 CCCN D74104 [2,0,0,0,0,0|1,0,1]=4 299 B3R0.1 CCCN D80322 [2,0,0,0,0,0|1,0,1]=4 300 B3R0.1 CCNC 28743 [2,0,0,0,0,0|2,0,0]=4 301 B3R0.1 CCNC D78313 [2,0,0,0,0,0|2,0,0]=4 302 B3R0.1 CCNO 77594 [2,0,0,0,0,0|1,0,1]=4 303 B3R0.1 CCSC D90442 [2,0,0,0,0,0|2,0,0]=4 304 B3R0.1 COCBr D78328 [2,0,0,0,0,0|2,0,0]=4 305 B3R0.1 CSCCl F20413 [2,0,0,0,0,0|2,0,0]=4 306 B3R0.1 C\C=N\O F13401 [2,0,0,0,0,0|1,0,0]=3 307 B3R0.1 ClCCBr D95298 [2,0,0,0,0,0|2,0,0]=4 308 B3R0.1 FCCI 29129 [2,0,0,0,0,0|2,0,0]=4 309 B3R0.1 ICCI D70963 [2,0,0,0,0,0|2,0,0]=4 310 B3R0.1 NCCBr 12331 [2,0,0,0,0,0|2,0,0]=4 311 B3R0.1 NCCCl D70641 [2,0,0,0,0,0|2,0,0]=4 312 B3R0.1 NCCF 22877 [2,0,0,0,0,0|2,0,0]=4 313 B3R0.1 NCCN T72638 [2,0,0,0,0,0|2,0,0]=4 314 B3R0.1 NCCO F17546 [2,0,0,0,0,0|1,0,0]=3 315 B3R0.1 NCCO P20022 [2,0,0,0,0,0|1,0,0]=3 316 B3R0.1 NCCS D70222 [2,0,0,0,0,0|1,1,0]=4 317 B3R0.1 NCCS D88299 [2,0,0,0,0,0|1,1,0]=4 318 B3R0.1 NNC=O F11944 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.1 SCCS D78347 [2,0,0,0,0,0|0,2,0]=4 320 B3R0.2 C=C(C)Br 28419 [2,0,0,0,0,0|1,0,1]=4 321 B3R0.2 C=[N+](C)C D89898 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.2 CB(O)O 26076 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.2 CC(=O)O 29388 [2,0,0,0,0,0|0,0,0]=2 324 B3R0.2 CC(=O)O C90337 [2,0,0,0,0,0|0,0,0]=2 325 B3R0.2 CC(=O)S D92569 [2,0,0,0,0,0|0,1,0]=3 326 B3R0.2 CC(=O)[O-] 35848 [2,0,0,0,0,0|0,0,1]=3 327 B3R0.2 CC(=O)[O-] AC2542 [2,0,0,0,0,0|0,0,1]=3 328 B3R0.2 CC(=O)[O-] AC2625 [2,0,0,0,0,0|0,0,1]=3 329 B3R0.2 CC(=O)[O-] D70070 [2,0,0,0,0,0|0,0,1]=3 330 B3R0.2 CC(=O)[O-] D74466 [2,0,0,0,0,0|0,0,1]=3 331 B3R0.2 CC(=O)[O-] D74596 [2,0,0,0,0,0|0,0,1]=3 332 B3R0.2 CC(=O)[O-] D77673 [2,0,0,0,0,0|0,0,1]=3 333 B3R0.2 CC(=O)[O-] D77909 [2,0,0,0,0,0|0,0,1]=3 334 B3R0.2 CC(=O)[O-] D78215 [2,0,0,0,0,0|0,0,1]=3 335 B3R0.2 CC(=O)[O-] D78216 [2,0,0,0,0,0|0,0,1]=3 336 B3R0.2 CC(=O)[O-] D81958 [2,0,0,0,0,0|0,0,1]=3 337 B3R0.2 CC(=O)[O-] D84280 [2,0,0,0,0,0|0,0,1]=3 338 B3R0.2 CC(=O)[O-] D88447 [2,0,0,0,0,0|0,0,1]=3 339 B3R0.2 CC(=O)[O-] D91230 [2,0,0,0,0,0|0,0,1]=3 340 B3R0.2 CC(=O)[O-] D95368 [2,0,0,0,0,0|0,0,1]=3 341 B3R0.2 CC(=O)[O-] D95676 [2,0,0,0,0,0|0,0,1]=3 342 B3R0.2 CC(=O)[O-] D95836 [2,0,0,0,0,0|0,0,1]=3 343 B3R0.2 CC(=O)[O-] D95949 [2,0,0,0,0,0|0,0,1]=3 344 B3R0.2 CC(=O)[O-] D95967 [2,0,0,0,0,0|0,0,1]=3 345 B3R0.2 CC(=O)[O-] D95970 [2,0,0,0,0,0|0,0,1]=3 346 B3R0.2 CC(=O)[O-] D97851 [2,0,0,0,0,0|0,0,1]=3 347 B3R0.2 CC(=O)[O-] E70002 [2,0,0,0,0,0|0,0,1]=3 348 B3R0.2 CC(=O)[O-] H10718 [2,0,0,0,0,0|0,0,1]=3 349 B3R0.2 CC(C)Br D87619 [2,0,0,0,0,0|1,0,1]=4 350 B3R0.2 CC(C)N A10746 [2,0,0,0,0,0|1,0,1]=4 351 B3R0.2 CC(C)[O-] T72011 [2,0,0,0,0,0|0,0,2]=4 352 B3R0.2 CC(N)=S D70870 [2,0,0,0,0,0|1,1,0]=4 353 B3R0.2 CN(C)C F19571 [2,0,0,0,0,0|2,0,0]=4 354 B3R0.2 CN(C)N H10568 [2,0,0,0,0,0|2,0,0]=4 355 B3R0.2 CP(C)C D81836 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.2 CP(C)C F20488 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.2 C[PH](C)=O 20677 [2,0,0,0,0,0|1,0,0]=3 358 B3R0.2 C[S+](C)Br D89000 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.2 C[S+](C)C 11523 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.2 C[S@](=O)[O-] 35930 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.2 NC(N)=O D70446 [2,0,0,0,0,0|2,0,0]=4 362 B3R0.2 O=C(O)O D78214 [2,0,0,0,0,0|0,0,0]=2 363 B3R0.2 O=C([O-])[O-] 29292 [2,0,0,0,0,0|0,0,2]=4 364 B3R0.2 O=C([O-])[O-] AC2635 [2,0,0,0,0,0|0,0,2]=4 365 B3R0.2 O=C([O-])[O-] D95733 [2,0,0,0,0,0|0,0,2]=4 366 B3R0.2 O=C([O-])[O-] H12045 [2,0,0,0,0,0|0,0,2]=4 367 B3R0.2 OP(O)O F20662 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.1 C#CCC(=O)O F14007 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 C=C(C)CCBr 80247 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.1 C=C(C)OCC 78535 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.1 C=CCC(=O)O H10768 [1,1,0,0,0,0|1,0,0]=3 372 B5R0.1 C=CNC(C)=O D92786 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.1 C=NCC(N)=O D97705 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.1 CC#CC(=O)O 66664 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 CC(=O)CC#N 88909 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.1 CC(=O)CCCl F20480 [1,1,0,0,0,0|1,0,0]=3 377 B5R0.1 CC(=O)CCO 55787 [1,1,0,0,0,0|0,0,0]=2 378 B5R0.1 CC(=O)NCO FD10622 [1,1,0,0,0,0|0,0,0]=2 379 B5R0.1 CC(=O)OCBr A12670 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 CC(=O)OCCl D78132 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.1 CC(=O)\C=N\O D72887 [1,1,0,0,0,0|0,0,1]=3 382 B5R0.1 CC(C)=CCBr 75658 [1,1,0,0,0,0|2,0,0]=4 383 B5R0.1 CC(C)=CCO F20316 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.1 CC(C)CON H10571 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.1 CCCC(=O)[O-] D84277 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.1 CCCC(N)=O D70204 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.1 CCNC(C)=O AC2513 [1,1,0,0,0,0|1,0,0]=3 388 B5R0.1 CCNC(N)=O D95291 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.1 CCOC(C)=N D70134 [1,1,0,0,0,0|2,0,0]=4 390 B5R0.1 CCOC(N)=O F21294 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.1 CCSC(C)=O H11301 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.1 CNCC(=O)O 73735 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.1 CNCC(=O)O AC7804 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.1 CNCC(N)=O A11560 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.1 COCC(=N)N 20309 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.1 COCC(=O)Cl D78222 [1,1,0,0,0,0|1,0,0]=3 397 B5R0.1 COCC(=O)O D77874 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.1 COCC(C)=O D91400 [1,1,0,0,0,0|0,0,0]=2 399 B5R0.1 COCC(N)=O F20983 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.1 COC[C@H](C)O 35103 [1,1,0,0,0,0|0,0,2]=4 401 B5R0.1 COC[C@H](C)O O10158 [1,1,0,0,0,0|0,0,2]=4 402 B5R0.1 CSCC(=O)O F15988 [1,1,0,0,0,0|0,1,0]=3 403 B5R0.1 CSCC(N)=O 23231 [1,1,0,0,0,0|1,1,0]=4 404 B5R0.1 CSC[S@](C)=O 63104 [1,1,0,0,0,0|1,1,0]=4 405 B5R0.1 C[C@H](N)CCO 36141 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.1 C[C@H](N)CCO 36142 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.1 C[C@H](N)CCO F11725 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.1 C[C@H](O)CCO 55765 [1,1,0,0,0,0|0,0,2]=4 409 B5R0.1 C[C@H](O)CCO O10183 [1,1,0,0,0,0|0,0,2]=4 410 B5R0.1 C\C=C\C(=O)O RB8002 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.1 C\C=C\C(C)=O F17125 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.1 N#CCC(=O)O P20002 [1,1,0,0,0,0|1,0,0]=3 413 B5R0.1 N#CCC(=O)[O-] D83681 [1,1,0,0,0,0|1,0,1]=4 414 B5R0.1 N#CCC(N)=O W18657 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.1 NC(=O)CCBr C16124 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.1 NCCC(N)=O F13534 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.1 NOCC(=O)O H11929 [1,1,0,0,0,0|0,0,0]=2 418 B5R0.1 O=C(Cl)CCBr D88890 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.1 O=C(Cl)OCCl H11933 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.1 O=C(O)CCBr P17146 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.1 O=C(O)CCF 71324 [1,1,0,0,0,0|1,0,0]=3 422 B5R0.1 O=C(O)CCI D91073 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.1 O=C(O)CCO 77998 [1,1,0,0,0,0|0,0,0]=2 424 B5R0.1 O=C(O)CCS AT21041 [1,1,0,0,0,0|0,1,0]=3 425 B5R0.1 O=C(O)\C=C/Cl H10108 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.1 O=[N+]([O-])CCO AC1643 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.4 CC(C)(C)CO D78368 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.4 CC(C)(N)CO P20005 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.4 CC(C)(O)CO 31979 [1,1,0,0,0,0|0,0,2]=4 430 B5R0.4 CC(F)(F)CO 60421 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.4 CCS(=O)(=O)O F20396 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.4 CCS(C)(=O)=O A10776 [1,1,0,0,0,0|2,0,0]=4 433 B5R0.4 C[Si](C)(C)CO S12036 [1,1,0,0,0,0|1,1,0]=4 434 B5R0.4 NCP(=O)(O)O 22854 [1,1,0,0,0,0|2,0,0]=4 435 B5R0.4 O=S(=O)([O-])CO D90827 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.5 C=C(Br)C(=O)O AB10359 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.5 C=C(Cl)C(=O)O D93171 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.5 C=C(F)C(=O)O 29128 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.5 CC(=O)C(=O)[O-] D77796 [1,1,0,0,0,0|0,0,2]=4 440 B5R0.5 CC(=O)C(=O)[O-] D97786 [1,1,0,0,0,0|0,0,2]=4 441 B5R0.5 CC(=O)C(=O)[O-] H10783 [1,1,0,0,0,0|0,0,2]=4 442 B5R0.5 CC(=O)C(=O)[O-] H11289 [1,1,0,0,0,0|0,0,2]=4 443 B5R0.5 CC(=O)C(C)=O W18292 [1,1,0,0,0,0|0,0,2]=4 444 B5R0.5 CC(=O)C(F)F AC1257 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.5 CC(=O)N(C)C D88939 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.5 CC(=O)[C@H](C)Br AT12822 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.5 CC(=O)[C@H](C)S D91540 [1,1,0,0,0,0|0,1,0]=3 448 B5R0.5 CC(C)C(=O)[O-] D91080 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.5 CC(C)C(N)=O 28439 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.5 CC(O)C(=O)[O-] F16480 [1,1,0,0,0,0|0,0,1]=3 451 B5R0.5 CC(O)C(C)O F14836 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.5 CC(O)C(C)S D91539 [1,1,0,0,0,0|0,1,1]=4 453 B5R0.5 C[C@H](Br)C(=O)Br 13146 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.5 C[C@H](Br)C(=O)O 70715 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.5 C[C@H](Br)C(=O)O H10882 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.5 C[C@H](Br)C(N)=O D71122 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.5 C[C@H](Cl)C(=O)O 36674 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.5 C[C@H](Cl)C(=O)O F16436 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.5 C[C@H](F)C(=O)O N12158 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.5 C[C@H](N)C(=O)O 30773 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.5 C[C@H](N)C(=O)O C75806 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.5 C[C@H](N)C(=O)O D72543 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.5 C[C@H](N)C(=O)O D84362 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.5 C[C@H](N)C(N)=O 23091 [1,1,0,0,0,0|2,0,0]=4 467 B5R0.5 C[C@H](N)C(N)=O 30751 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.5 C[C@H](N)C(N)=O 30913 [1,1,0,0,0,0|2,0,0]=4 469 B5R0.5 C[C@H](N)C(N)=O 34538 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.5 C[C@H](O)C(=O)O D71144 [1,1,0,0,0,0|0,0,0]=2 471 B5R0.5 C[C@H](O)C(=O)O F14892 [1,1,0,0,0,0|0,0,0]=2 472 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [1,1,0,0,0,0|0,0,1]=3 473 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [1,1,0,0,0,0|0,0,1]=3 474 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [1,1,0,0,0,0|0,0,1]=3 475 B5R0.5 C[C@H](O)C(N)=O AC1144 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.5 C[C@H](O)[C@H](C)O C73651 [1,1,0,0,0,0|0,0,2]=4 477 B5R0.5 NC(=O)C(=O)O A10798 [1,1,0,0,0,0|0,0,2]=4 478 B5R0.5 NC(=O)C(Cl)Cl D89626 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.5 NC(=O)C(F)F D76959 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.5 O=C(O)C(=O)O 35743 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.5 O=C(O)C(=O)O C11246 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.5 O=C(O)C(F)F FD2068 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.5 O=C([O-])C(Cl)Cl F12025 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.2 BrC\C=C\CBr D72529 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.2 BrC\C=C\CBr F16803 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.2 C#CCCCO 32105 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.2 C=CCCCO 76184 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 CCC#CCO F19221 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 CCCCON H11431 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.2 CCNCCO 20098 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.2 CNCCCO 36133 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 COCCCBr F11235 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.2 COCCCCl H11766 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.2 COCCCN D81053 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.2 CSCCCO 79218 [1,1,0,0,0,0|0,1,1]=4 497 B5R0.2 NCCCCO 51530 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.2 NC\C=C/CCl C11378 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.2 NOCC=CCl D82470 [1,1,0,0,0,0|1,0,1]=4 500 B5R0.2 OCCCCBr 54526 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.2 OCCCCCl F11085 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.2 OCCCCI D81265 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.2 OCCNCO D91013 [1,1,0,0,0,0|0,0,1]=3 504 B5R0.2 OC\C=C/CO D70059 [1,1,0,0,0,0|0,0,0]=2 505 B5R0.2 OC\C=C\CO 70835 [1,1,0,0,0,0|0,0,0]=2 506 B7R0.2 CC(C)NC(=O)CCl AC1584 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.2 CC(C)OC(=O)CO 77517 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.2 CCC(=O)CC(C)=O 24687 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.2 CCC(=O)CC(C)C D90471 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.2 COC(=O)CC(=O)O 36101 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.2 COC(=O)C[C@H](C)O AC7720 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.2 COC(=O)C[C@H](C)O C14861 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.2 COC(=O)C[C@H](C)O F15447 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.2 N[C@H](CO)CC(=O)O 27226 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.3 C=CC(=O)NCCO D78367 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.3 C=CC(=O)OCCO D78194 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.3 C=CCOC(=O)CCl 76814 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.3 CCCCC(=O)CC D90783 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.3 CCOC[C@@H](O)CO H11846 [0,2,0,0,0,0|0,0,2]=4 520 B7R0.3 OCCC[C@H](O)CO T71793 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.5 CC(C)C(=O)CC#N 28992 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.5 CC(C)C(=O)OCBr D94295 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.5 CC(C)C(=O)OCCl P11842 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.5 CCCC(=O)C(C)C D91358 [0,2,0,0,0,0|2,0,0]=4 525 B7R0.5 CCOC(=O)C(=O)O C75898 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.5 CCOC(=O)C(F)F FD2077 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.5 CCOC(=O)[C@H](C)F 28664 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.5 CCOC(=O)[C@H](C)I D90599 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.5 CCOC(=O)[C@H](C)N 75100 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.5 CCOC(=O)[C@H](C)S D81899 [0,2,0,0,0,0|1,1,0]=4 538 B7R0.7 C=CCC(=O)OCC 74919 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.7 CCCC(=O)OCCl F20378 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.7 CCNC(=O)CC#N S10551 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.7 CCNC(=O)NCC F11262 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.7 CCOC(=O)CCBr F11254 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.7 CCOC(=O)CCCl D89381 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.7 CCOC(=O)CCI 23721 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.7 CCOC(=O)CCN AC7506 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.7 CCOC(=O)CCO 30936 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.7 CCOC(=O)CCS D87716 [0,2,0,0,0,0|1,1,0]=4 548 B7R0.7 CCOC(=O)CNC 73271 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.7 CCOC(=O)CNN 35068 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.7 CCOC(=O)COC F11239 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.7 CCOC(=O)CSC I10203 [0,2,0,0,0,0|1,1,0]=4 552 B7R0.7 CCOC(=O)OCC D97668 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.7 CCOC(=O)OCCl 23781 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.7 COCC(N)COC 25069 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.7 COCC(O)COC 20633 [0,2,0,0,0,0|0,0,2]=4 556 B7R0.7 O=C(CCCl)CCCl 35039 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.7 O=C(NCO)NCO H11231 [0,2,0,0,0,0|0,0,0]=2 558 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.10 C=C(CO)C(=O)OC 35969 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.10 CCC(=O)C(=O)CC D90906 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.10 CCC(=O)C(=O)OC F16310 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.10 CCC(=O)N(C)OC AR3350 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.10 CC[C@H](O)C(=O)OC D94650 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.10 COC(=O)C(=O)CBr O11905 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.10 COC(=O)[C@@H](C)CO F12962 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.10 COC(=O)[C@@H](F)CO 36756 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.10 COC(=O)[C@@H](N)CO 20054 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.10 COC(=O)[C@@H](N)CO 20056 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.10 COC(=O)[C@@H](N)CO 39397 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.10 COC(=O)[C@@H](O)CO 24991 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.10 COC(=O)[C@H](C)OC AT18834 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.10 CON(C)C(=O)CCl 84008 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.10 NNC(=O)[C@@H](N)CO F10936 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.10 O=C(CBr)C(=O)CBr F14611 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.10 OC[C@H](O)[C@H](O)CO E70403 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.10 OC\C(Br)=C(/Br)CO H12068 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.11 CC(C)(CO)CCO W19543 [0,2,0,0,0,0|1,0,1]=4 582 B7R0.14 CC(C)(C)C(=O)CBr F16652 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.14 CC(C)(C)C(=O)CCl 28194 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.14 CC(C)(C)C(=O)CN 56071 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.14 CCC(=O)C(C)(C)C 71049 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.14 CCC(=O)C(F)(F)F F17335 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.14 O=C(CBr)C(F)(F)F H10738 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.14 O=C(CCl)C(F)(F)F AT23769 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.15 CN(C)C(CO)CO D82869 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.16 CC(C)C(=O)C(=O)O 31009 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.16 CC(C)C(=O)[C@H](C)Br AC1549 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.16 O=C(C(Br)Br)C(Br)Br 29355 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.16 O=C(O)C(=O)C(Br)Br O10902 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.18 CCC(N)(CO)CO D71113 [0,2,0,0,0,0|1,0,1]=4 595 B7R0.18 NC(CO)(CO)CO F20293 [0,2,0,0,0,0|0,0,2]=4 596 B7R0.18 NC(CO)(CO)CO F20305 [0,2,0,0,0,0|0,0,2]=4 597 B7R0.18 NC(CO)(CO)CO P17498 [0,2,0,0,0,0|0,0,2]=4 598 B5R1.2 BrC1COC1 CS1302 [1,0,0,1,0,0|1,0,1]=4 599 B5R1.2 C=C1CCC1 90960 [1,0,0,1,0,0|2,0,0]=4 600 B5R1.2 IC1COC1 66502 [1,0,0,1,0,0|1,0,1]=4 601 B5R1.2 NC1COC1 66129 [1,0,0,1,0,0|1,0,1]=4 602 B5R1.2 NC1COC1 CS1335 [1,0,0,1,0,0|1,0,1]=4 603 B5R1.2 O=C1CCC1 24502 [1,0,0,1,0,0|1,0,0]=3 604 B5R1.2 O=C1CCN1 52806 [1,0,0,1,0,0|2,0,0]=4 605 B5R1.2 O=C1CCO1 AT19319 [1,0,0,1,0,0|1,0,0]=3 606 B5R1.2 O=C1CNC1 51063 [1,0,0,1,0,0|1,0,0]=3 607 B5R1.2 O=C1COC1 66386 [1,0,0,1,0,0|0,0,0]=2 608 B5R1.2 O=C1CSC1 BL008272 [1,0,0,1,0,0|0,1,0]=3 609 B5R1.2 OC1COC1 66387 [1,0,0,1,0,0|0,0,2]=4 610 B5R1.3 OC[C@H]1CO1 23077 [1,0,0,1,0,0|0,0,2]=4 611 B5R1.3 OC[C@H]1CO1 A10767 [1,0,0,1,0,0|0,0,2]=4 612 B5R1.3 OC[C@H]1CO1 H11320 [1,0,0,1,0,0|0,0,2]=4 613 B5R1.5 CC1(C)CO1 75298 [1,0,0,1,0,0|1,0,1]=4 614 B5R1.1 C1=CCOC1 F11214 [1,0,0,1,0,0|1,0,1]=4 615 B5R1.1 C1CCOC1 D97750 [1,0,0,1,0,0|1,0,1]=4 616 B5R1.1 C1CNOC1 72098 [1,0,0,1,0,0|1,0,1]=4 617 B5R1.1 C1COCO1 D89731 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.1 O=C[C@H]1CCOC1 I10170 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.1 OCC1=CCC=C1 F14117 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.1 OCC1=COC=C1 35423 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.1 OCC1=COC=N1 38413 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.1 OCC1=NOC=C1 26711 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.1 OC[C@H]1CCOC1 83670 [0,1,0,1,0,0|1,0,1]=4 624 B7R1.1 OC[C@H]1COCO1 D70284 [0,1,0,1,0,0|0,0,2]=4 625 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [0,1,0,1,0,0|1,0,1]=4 629 B7R1.2 O=C1CCC(=O)C1 23085 [0,1,0,1,0,0|1,0,1]=4 630 B7R1.2 O=C1COC(=O)C1 T72521 [0,1,0,1,0,0|0,0,1]=3 631 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.3 O=C1CCCCN1 F10312 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.3 O=C1CCCCO1 20506 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.3 O=C1CCCNC1 36189 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.3 O=C1CCCNC1 65124 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.3 O=C1CCCOC1 67990 [0,1,0,1,0,0|1,0,0]=3 640 B7R1.3 O=C1CCCSC1 38182 [0,1,0,1,0,0|1,1,0]=4 641 B7R1.3 O=C1CCNCC1 AB2978 [0,1,0,1,0,0|2,0,0]=4 642 B7R1.3 O=C1CCNCC1 AB7716 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.3 O=C1CCOCC1 28100 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.3 O=C1CCSCC1 34742 [0,1,0,1,0,0|1,1,0]=4 645 B7R1.3 O=C1CNCCN1 65258 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.3 O=C1COCCN1 35814 [0,1,0,1,0,0|1,0,0]=3 647 B7R1.3 O=C1COCCO1 39291 [0,1,0,1,0,0|1,0,0]=3 648 B7R1.3 OC1COCOC1 C10654 [0,1,0,1,0,0|0,0,2]=4 649 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,1,0,1,0,0|1,0,0]=3 650 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,1,0,1,0,0|1,1,0]=4 651 B7R1.4 C[C@H]1CCCC1=O 29606 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.4 C[C@H]1CCOC1=O D70164 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.4 N[C@H]1CCNC1=O 51275 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.4 N[C@H]1CCNC1=O F31053 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.4 N[C@H]1CCOC1=O 28853 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.4 N[C@H]1CCOC1=O F14759 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.4 N[C@H]1CCOC1=O FD1139 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.4 N[C@H]1CCOC1=O FD1142 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.4 N[C@H]1CCOC1=O W12226 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.4 N[C@H]1CCSC1=O F17227 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,1,0,1,0,0|1,0,1]=4 662 B7R1.4 N[C@H]1CONC1=O 34883 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.4 N[C@H]1CONC1=O 50854 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.4 O=C1CCC=C1O 25221 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,1,0,1,0,0|1,0,0]=3 668 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.4 O=C1OCC[C@@H]1Br H10671 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,1,0,1,0,0|0,0,2]=4 673 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [0,1,0,1,0,0|2,0,0]=4 675 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.22 O=C(CBr)C1CC1 28934 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.25 CC1(CO)COC1 59847 [0,1,0,1,0,0|1,0,1]=4 678 B7R1.29 OCC1(CO)CC1 87294 [0,1,0,1,0,0|1,0,1]=4