0 B5R0.3 C#C[C@@H](O)CC 75224 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.3 C=C(CBr)CBr 21111 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C(CCl)CCl 23001 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C=C(CO)CO 35347 [0,0,0,0,0,0|1,1,1]=3 4 B5R0.3 C=C[C@@H](Cl)CCl D89774 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=C[C@@H](O)CC F15421 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.3 C=C[C@@H](O)CO D79949 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.3 CC(CBr)CBr 90917 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CC(CN)CN T72131 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CC(CO)CO D71170 [0,0,0,0,0,0|1,1,0]=2 10 B5R0.3 CCC(=N)NO 22901 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CCC(=O)CBr F10475 [0,0,0,0,0,0|2,1,1]=4 12 B5R0.3 CCC(=O)CO C75383 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.3 CCC(Br)CC H11324 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(N)CC S12161 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCN(C)CC D97580 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CCS(=O)CC D81870 [0,0,0,0,0,0|3,1,0]=4 17 B5R0.3 CC[C@H](Br)CBr D89608 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CC[C@H](C)CBr A10884 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CC[C@H](C)CCl D89411 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CC[C@H](C)CI D80608 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 CC[C@H](C)CN F16114 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.3 CC[C@H](C)CO 88664 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 CC[C@H](C)CS D91431 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 CC[C@H](C)NC D95752 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.3 CC[C@H](C)NN 72197 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 CC[C@H](N)CO 23160 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.3 CC[C@H](N)CO D87517 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.3 CC[C@H](N)CO F14569 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 CC[C@H](O)CN D97409 [0,0,0,0,0,0|2,1,0]=3 30 B5R0.3 CC[C@H](O)CO C10640 [0,0,0,0,0,0|1,1,0]=2 31 B5R0.3 CC[C@H](O)CO O10222 [0,0,0,0,0,0|1,1,0]=2 32 B5R0.3 COC(=O)CO 39413 [0,0,0,0,0,0|2,1,1]=4 33 B5R0.3 CO[C@@H](C)CN 91004 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.3 CO[C@@H](C)CO 29137 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.3 CO[C@@H](C)CO 35966 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.3 C[C@@H](CN)CO 78445 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.3 C[C@@H](CN)CO AB10326 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.3 ClCC(Cl)CCl D97722 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.3 NC(CO)CO F10927 [0,0,0,0,0,0|1,1,0]=2 40 B5R0.3 NCC(O)CN O10345 [0,0,0,0,0,0|2,1,0]=3 41 B5R0.3 NC[C@H](O)CCl 91258 [0,0,0,0,0,0|2,1,0]=3 42 B5R0.3 NC[C@H](O)CCl F14970 [0,0,0,0,0,0|2,1,0]=3 43 B5R0.3 NC[C@H](O)CO 52095 [0,0,0,0,0,0|1,1,0]=2 44 B5R0.3 NC[C@H](O)CO CL4509 [0,0,0,0,0,0|1,1,0]=2 45 B5R0.3 NC[C@H](O)CO H10491 [0,0,0,0,0,0|1,1,0]=2 46 B5R0.3 NNC(=O)CO 71926 [0,0,0,0,0,0|2,1,1]=4 47 B5R0.3 O=C(CBr)CBr 60498 [0,0,0,0,0,0|2,1,1]=4 48 B5R0.3 O=C(CCl)CCl 73299 [0,0,0,0,0,0|2,1,1]=4 49 B5R0.3 O=C(CO)CO S12381 [0,0,0,0,0,0|0,2,1]=3 50 B5R0.3 OC(CBr)CBr 90914 [0,0,0,0,0,0|2,1,0]=3 51 B5R0.3 OCC(O)CO C13300 [0,0,0,0,0,0|0,2,0]=2 52 B5R0.3 OCC(O)CO D92249 [0,0,0,0,0,0|0,2,0]=2 53 B5R0.3 OC[C@H](Cl)CCl D89647 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.3 OC[C@H](O)CBr D84178 [0,0,0,0,0,0|1,1,0]=2 55 B5R0.3 OC[C@H](O)CCl 28070 [0,0,0,0,0,0|1,1,0]=2 56 B5R0.3 OC[C@H](O)CCl 28077 [0,0,0,0,0,0|1,1,0]=2 57 B5R0.3 OC[C@H](O)CS D92320 [0,0,0,0,0,0|0,1,0]=1 58 B5R0.3 OC[C@H](S)CS D89691 [0,0,0,0,0,0|0,0,0]=0 59 B5R0.3 O[C@@H](CCl)CI D79037 [0,0,0,0,0,0|2,1,0]=3 60 B5R0.3 O[C@@H](CCl)CI D79038 [0,0,0,0,0,0|2,1,0]=3 61 B4R0.1 C#CC(C)C 22832 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C#C[C@H](C)N P17981 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C#C[C@H](C)O 55689 [1,0,0,0,0,0|1,1,1]=4 64 B4R0.1 C#C[C@H](C)O F17654 [1,0,0,0,0,0|1,1,1]=4 65 B4R0.1 C=C(Br)CO D84296 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 C=C(C)CBr 29319 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C=C(C)CN 29496 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C=C(C)CO H10780 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 C=C[C@H](C)O W13854 [1,0,0,0,0,0|1,1,1]=4 70 B4R0.1 CC(=N)NO 74820 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CC(=O)CBr 76485 [1,0,0,0,0,0|1,1,1]=4 72 B4R0.1 CC(=O)CN 24448 [1,0,0,0,0,0|1,1,1]=4 73 B4R0.1 CC(=O)NO 78370 [1,0,0,0,0,0|1,1,1]=4 74 B4R0.1 CC(C)=NO D70154 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 CC(C)CN D70621 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(C)NN 35766 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 CC(C)NN C10400 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 CC(C)NO 77595 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 CC(C)ON 77602 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 CCB(O)O 33051 [1,0,0,0,0,0|2,1,0]=4 81 B4R0.1 CC[C@H](C)O 70716 [1,0,0,0,0,0|1,1,0]=3 82 B4R0.1 CC[C@H](C)O 70832 [1,0,0,0,0,0|1,1,0]=3 83 B4R0.1 CNC(C)C 39417 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 C[C@H](Br)C#N S12043 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 C[C@H](Cl)CO H11590 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 C[C@H](Cl)CO O10168 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 C[C@H](N)CN 35106 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 C[C@H](N)CN P20461 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 C[C@H](N)CO 28476 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.1 C[C@H](N)CO 29970 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 C[C@H](N)CO 29971 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.1 C[C@H](O)CCl C10666 [1,0,0,0,0,0|1,1,0]=3 93 B4R0.1 C[C@H](O)CCl D87799 [1,0,0,0,0,0|1,1,0]=3 94 B4R0.1 C[C@H](O)CCl H11611 [1,0,0,0,0,0|1,1,0]=3 95 B4R0.1 C[C@H](O)CN 86259 [1,0,0,0,0,0|1,1,0]=3 96 B4R0.1 C[C@H](O)CN 86301 [1,0,0,0,0,0|1,1,0]=3 97 B4R0.1 C[C@H](O)CN A10592 [1,0,0,0,0,0|1,1,0]=3 98 B4R0.1 C[C@H](O)CO A11633 [1,0,0,0,0,0|0,1,0]=2 99 B4R0.1 C[C@H](O)CO A11634 [1,0,0,0,0,0|0,1,0]=2 100 B4R0.1 C\C(N)=N\O 35620 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 FC(F)CI 30620 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 N=C(N)CO C10100 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 NC(=O)CO D77798 [1,0,0,0,0,0|1,1,1]=4 104 B4R0.1 NCC(=O)O D70890 [1,0,0,0,0,0|1,1,1]=4 105 B4R0.1 NCC(=O)O F21278 [1,0,0,0,0,0|1,1,1]=4 106 B4R0.1 NCC(F)F O10557 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 O=C(O)CO D78078 [1,0,0,0,0,0|0,2,1]=4 108 B4R0.1 OCC(F)F FD2062 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.2 C#CCCBr F11435 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 C#CCCO 24606 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.2 C=CCCBr D78125 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 C=CCCC FD10489 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 C=CCCCl 43989 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 C=CCCN 68196 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 C=CCCO P16638 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.2 CC#CCO 75486 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.2 CCCNC A10770 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 CCCNN C10870 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.2 CCNCC D78025 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.2 CCNCC D89842 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.2 CCNCC D90318 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.2 CCOCCl D89215 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.2 CNCCBr F13405 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.2 CNCCCl 71064 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.2 CNCCN D76853 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.2 CNCCN SC1801 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 COCCBr P19803 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 COCCN F14847 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.2 CSCCBr 79497 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 CSCCO 28828 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.2 ClCCCI AC1314 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.2 FCCCI S11237 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 ICCCI A10836 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.2 N#CCCBr 13138 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.2 N#CCCN D77355 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.2 N#CCCO D77638 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.2 N#CCCS A10937 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.2 NCCCBr AC7868 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.2 NCCCCl D70608 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 NCCCO D77871 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.2 NCCON SC1781 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.2 NNCCO D77684 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.2 NOCCO 32348 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.2 OCCCBr 36754 [1,0,0,0,0,0|1,0,0]=2 145 B4R0.2 OCCCF 61100 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.2 OCCCI 75858 [1,0,0,0,0,0|1,0,0]=2 147 B4R0.2 SCCCS F20376 [1,0,0,0,0,0|0,1,0]=2 148 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,1,0,0,0,0|3,0,0]=4 149 B6R0.1 CCC[C@H](C)CCl D89415 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.1 CCC[C@H](N)CO A10468 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.1 CCC[C@H](O)CO 73676 [0,1,0,0,0,0|1,1,0]=3 152 B6R0.1 CCOC(=O)CO 39380 [0,1,0,0,0,0|1,1,1]=4 153 B6R0.1 CCOC(=O)CS F21271 [0,1,0,0,0,0|1,1,1]=4 154 B6R0.1 CCO[C@@H](C)CC D88933 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.1 CNC[C@H](O)CO CL4501 [0,1,0,0,0,0|1,1,0]=3 156 B6R0.1 COC[C@@H](O)CO H10736 [0,1,0,0,0,0|0,2,0]=3 157 B6R0.1 COC[C@H](O)CCl D84795 [0,1,0,0,0,0|1,1,0]=3 158 B6R0.1 CO[C@@H](C)CCO D77758 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 C[C@H](CO)CCN 78036 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.1 C[C@H](CO)CCO 63982 [0,1,0,0,0,0|1,1,0]=3 161 B6R0.1 C[C@H](CO)CCO 70021 [0,1,0,0,0,0|1,1,0]=3 162 B6R0.1 N#CC[C@H](O)CCl 23634 [0,1,0,0,0,0|2,1,0]=4 163 B6R0.1 N#CC[C@H](O)CCl F20410 [0,1,0,0,0,0|2,1,0]=4 164 B6R0.1 O=C(CCl)NCO O10755 [0,1,0,0,0,0|1,1,1]=4 165 B6R0.1 OCC[C@H](O)CCl D94503 [0,1,0,0,0,0|1,1,0]=3 166 B6R0.1 OCC[C@H](O)CO 56159 [0,1,0,0,0,0|0,2,0]=3 167 B6R0.1 OCC[C@H](O)CO 56160 [0,1,0,0,0,0|0,2,0]=3 168 B6R0.1 OCC[C@H](O)CO AC2226 [0,1,0,0,0,0|0,2,0]=3 169 B6R0.1 O[C@H](CBr)CCBr F14612 [0,1,0,0,0,0|2,1,0]=4 170 B6R0.3 CC(C)[C@@H](N)CO 23132 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.3 CC(C)[C@@H](N)CO 39407 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 CC(C)[C@@H](N)CO A10466 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.3 CCC(O)C(C)O D93064 [0,1,0,0,0,0|1,1,0]=3 174 B6R0.3 CC[C@H](Br)C(=O)O P18633 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.3 CC[C@H](Br)C(=O)O P18634 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.3 CC[C@H](C)B(O)O 33152 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.3 CC[C@H](C)C(=O)O 88657 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.3 CC[C@H](C)C(=O)O 88663 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.3 CC[C@H](N)C(=O)O 11781 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.3 CC[C@H](N)C(=O)O 23105 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.3 CC[C@H](N)C(=O)O 25309 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.3 CC[C@H](N)C(=O)O 80046 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [0,1,0,0,0,0|2,0,0]=3 185 B6R0.3 CC[C@H](O)C(=O)O 24676 [0,1,0,0,0,0|1,1,1]=4 186 B6R0.3 CC[C@H](O)C(=O)O A11368 [0,1,0,0,0,0|1,1,1]=4 187 B6R0.3 CC[C@H](O)C(=O)O D90822 [0,1,0,0,0,0|1,1,1]=4 188 B6R0.3 COC(C)C(C)O 78000 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.3 C[C@@H](CN)C(=O)O 22851 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.3 C[C@@H](CN)C(=O)O 52204 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.3 C[C@@H](CS)C(=O)O D91461 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [0,1,0,0,0,0|1,1,0]=3 194 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [0,1,0,0,0,0|1,1,0]=3 195 B6R0.3 NC(=O)[C@@H](N)CO 71065 [0,1,0,0,0,0|1,1,1]=4 196 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [0,1,0,0,0,0|1,1,1]=4 197 B6R0.3 NC[C@H](N)C(=O)O 22838 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 NC[C@H](N)C(=O)O 51944 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 NC[C@H](N)C(=O)O 51945 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.3 NC[C@H](N)C(=O)O FD1046 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.3 NC[C@H](O)C(=O)O 50049 [0,1,0,0,0,0|1,1,1]=4 202 B6R0.3 NC[C@H](O)C(=O)O C10711 [0,1,0,0,0,0|1,1,1]=4 203 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,1,0,0,0,0|1,1,1]=4 207 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,1,0,0,0,0|1,1,1]=4 208 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,1,0,0,0,0|1,1,1]=4 209 B6R0.3 N[C@@H](CS)C(=O)O 22868 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.3 N[C@@H](CS)C(=O)O 24506 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.3 N[C@@H](CS)C(=O)O 37900 [0,1,0,0,0,0|1,0,1]=3 212 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.3 N[C@@H](CS)C(=O)O E72644 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [0,1,0,0,0,0|1,0,1]=3 216 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [0,1,0,0,0,0|1,0,1]=3 218 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,1,0,0,0,0|1,1,1]=4 220 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,1,0,0,0,0|0,2,1]=4 222 B6R0.8 CC(C)(C#N)CO O11012 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.8 CC(C)(C=O)CO 39324 [0,1,0,0,0,0|1,1,1]=4 224 B6R0.8 CC(C)(CBr)CBr S10693 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.8 CC(C)(CN)CN D89885 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.8 CC(C)(CN)CO 35391 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.8 CC(C)(CO)CBr D97756 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.8 CC(C)(CO)CCl D84357 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.8 CC(C)(CO)CO D71071 [0,1,0,0,0,0|1,1,0]=3 230 B6R0.8 CNC(C)(C)CO F19204 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.8 COC(C)(C)CO I10175 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.8 NCC(F)(F)CO P12538 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.8 OCC(F)(F)CO F52367 [0,1,0,0,0,0|1,1,0]=3 234 B6R0.9 CCC(CC)CBr D88873 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.9 CCC(CC)CO D78539 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.9 CCC(CC)NC 30677 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.9 CCC(CC)NN AB9880 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.9 CCC(CO)CO AB3752 [0,1,0,0,0,0|1,1,0]=3 239 B6R0.9 COC(CO)OC 36713 [0,1,0,0,0,0|2,1,0]=4 240 B6R0.9 OCC(CO)CO 59936 [0,1,0,0,0,0|0,2,0]=3 241 B6R1.2 Br[C@H]1CCNC1 23535 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.2 Br[C@H]1CCOC1 25079 [0,0,0,1,0,0|2,0,0]=3 243 B6R1.2 C[C@H]1CCNC1 69325 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.2 C[C@H]1CCNC1 69329 [0,0,0,1,0,0|3,0,0]=4 245 B6R1.2 C[C@H]1CCOC1 F16704 [0,0,0,1,0,0|2,0,0]=3 246 B6R1.2 F[C@H]1CCNC1 26948 [0,0,0,1,0,0|3,0,0]=4 247 B6R1.2 F[C@H]1CCNC1 37160 [0,0,0,1,0,0|3,0,0]=4 248 B6R1.2 F[C@H]1CCNC1 83419 [0,0,0,1,0,0|3,0,0]=4 249 B6R1.2 IC1CCCC1 P10039 [0,0,0,1,0,0|3,0,0]=4 250 B6R1.2 I[C@H]1CCOC1 82009 [0,0,0,1,0,0|2,0,0]=3 251 B6R1.2 NC1CC=CC1 66023 [0,0,0,1,0,0|3,0,0]=4 252 B6R1.2 NC1CCCC1 22312 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.2 N[C@H]1CCNC1 41400 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.2 N[C@H]1CCNC1 52206 [0,0,0,1,0,0|3,0,0]=4 255 B6R1.2 N[C@H]1CCNC1 70366 [0,0,0,1,0,0|3,0,0]=4 256 B6R1.2 N[C@H]1CCNC1 N12040 [0,0,0,1,0,0|3,0,0]=4 257 B6R1.2 N[C@H]1CCNC1 S10941 [0,0,0,1,0,0|3,0,0]=4 258 B6R1.2 N[C@H]1CCNC1 T70189 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.2 N[C@H]1CCOC1 24756 [0,0,0,1,0,0|2,0,0]=3 260 B6R1.2 N[C@H]1CCOC1 29281 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.2 N[C@H]1CCOC1 37020 [0,0,0,1,0,0|2,0,0]=3 262 B6R1.2 N[C@H]1CCOC1 37021 [0,0,0,1,0,0|2,0,0]=3 263 B6R1.2 N[C@H]1CCOC1 53315 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.2 N[C@H]1CCOC1 SC1299 [0,0,0,1,0,0|2,0,0]=3 265 B6R1.2 O=C1CCOC1 28102 [0,0,0,1,0,0|1,1,1]=4 266 B6R1.2 O=C1CCSC1 37995 [0,0,0,1,0,0|1,1,1]=4 267 B6R1.2 OC1CC=CC1 68362 [0,0,0,1,0,0|2,1,0]=4 268 B6R1.2 O[C@H]1CCNC1 29173 [0,0,0,1,0,0|2,1,0]=4 269 B6R1.2 O[C@H]1CCNC1 29174 [0,0,0,1,0,0|2,1,0]=4 270 B6R1.2 O[C@H]1CCNC1 29175 [0,0,0,1,0,0|2,1,0]=4 271 B6R1.2 O[C@H]1CCNC1 38203 [0,0,0,1,0,0|2,1,0]=4 272 B6R1.2 O[C@H]1CCNC1 62968 [0,0,0,1,0,0|2,1,0]=4 273 B6R1.2 O[C@H]1CCNC1 62970 [0,0,0,1,0,0|2,1,0]=4 274 B6R1.2 O[C@H]1CCOC1 37369 [0,0,0,1,0,0|1,1,0]=3 275 B6R1.2 O[C@H]1CCOC1 66692 [0,0,0,1,0,0|1,1,0]=3 276 B6R1.2 O[C@H]1CCOC1 66694 [0,0,0,1,0,0|1,1,0]=3 277 B6R1.2 O[C@H]1CCSC1 W10543 [0,0,0,1,0,0|1,1,0]=3 278 B6R1.2 O[C@H]1CNOC1 31853 [0,0,0,1,0,0|1,1,0]=3 279 B6R1.2 SC1CCCC1 D89300 [0,0,0,1,0,0|2,0,0]=3 280 B6R1.6 BrCC1CCC1 55311 [0,0,0,1,0,0|3,0,0]=4 281 B6R1.6 BrCC1COC1 P12750 [0,0,0,1,0,0|2,0,0]=3 282 B6R1.6 CNC1COC1 32882 [0,0,0,1,0,0|3,0,0]=4 283 B6R1.6 ClCC1COC1 29833 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.6 ICC1CCC1 P15852 [0,0,0,1,0,0|3,0,0]=4 285 B6R1.6 ICC1COC1 80847 [0,0,0,1,0,0|2,0,0]=3 286 B6R1.6 IC[C@H]1CCO1 30641 [0,0,0,1,0,0|2,1,0]=4 287 B6R1.6 NCC1CCC1 33345 [0,0,0,1,0,0|3,0,0]=4 288 B6R1.6 NCC1CCC1 35685 [0,0,0,1,0,0|3,0,0]=4 289 B6R1.6 NCC1COC1 66389 [0,0,0,1,0,0|2,0,0]=3 290 B6R1.6 NCC1COC1 F14274 [0,0,0,1,0,0|2,0,0]=3 291 B6R1.6 NC[C@H]1CCO1 32892 [0,0,0,1,0,0|2,1,0]=4 292 B6R1.6 OCC1CCC1 24520 [0,0,0,1,0,0|2,0,0]=3 293 B6R1.6 OCC1CNC1 SC3671 [0,0,0,1,0,0|2,0,0]=3 294 B6R1.6 OCC1COC1 81312 [0,0,0,1,0,0|1,1,0]=3 295 B6R1.7 C=C[C@]1(C)CO1 11393 [0,0,0,1,0,0|2,0,1]=4 296 B6R1.7 CC1(CO)CC1 71010 [0,0,0,1,0,0|2,0,0]=3 297 B6R1.7 CCC1(N)CC1 P15302 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.7 CCC1(O)CC1 P20221 [0,0,0,1,0,0|2,1,0]=4 299 B6R1.7 C[C@]1(CCl)CO1 29677 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.7 NC1(CO)CC1 80110 [0,0,0,1,0,0|2,0,0]=3 301 B6R1.7 NCC1(O)CC1 27319 [0,0,0,1,0,0|2,1,0]=4 302 B3R0.1 C=CCC F17161 [2,0,0,0,0,0|1,0,1]=4 303 B3R0.1 CCCN D74104 [2,0,0,0,0,0|1,0,0]=3 304 B3R0.1 CCCN D80322 [2,0,0,0,0,0|1,0,0]=3 305 B3R0.1 CCNC 28743 [2,0,0,0,0,0|2,0,0]=4 306 B3R0.1 CCNC D78313 [2,0,0,0,0,0|2,0,0]=4 307 B3R0.1 CCNN D93746 [2,0,0,0,0,0|2,0,0]=4 308 B3R0.1 CCNO 77594 [2,0,0,0,0,0|1,0,0]=3 309 B3R0.1 CCON 35725 [2,0,0,0,0,0|2,0,0]=4 310 B3R0.1 CCSC D90442 [2,0,0,0,0,0|2,0,0]=4 311 B3R0.1 COCBr D78328 [2,0,0,0,0,0|2,0,0]=4 312 B3R0.1 CSCCl F20413 [2,0,0,0,0,0|2,0,0]=4 313 B3R0.1 C\C=N\O F13401 [2,0,0,0,0,0|1,0,1]=4 314 B3R0.1 ClCCBr D95298 [2,0,0,0,0,0|2,0,0]=4 315 B3R0.1 FCCI 29129 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 ICCI D70963 [2,0,0,0,0,0|2,0,0]=4 317 B3R0.1 NCCBr 12331 [2,0,0,0,0,0|2,0,0]=4 318 B3R0.1 NCCCl D70641 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.1 NCCF 22877 [2,0,0,0,0,0|2,0,0]=4 320 B3R0.1 NCCN T72638 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 NCCO F17546 [2,0,0,0,0,0|1,0,0]=3 322 B3R0.1 NCCO P20022 [2,0,0,0,0,0|1,0,0]=3 323 B3R0.1 NCCS D70222 [2,0,0,0,0,0|1,0,0]=3 324 B3R0.1 NCCS D88299 [2,0,0,0,0,0|1,0,0]=3 325 B3R0.1 SCCS D78347 [2,0,0,0,0,0|0,0,0]=2 326 B3R0.2 C=[N+](C)C D89898 [2,0,0,0,0,0|2,0,0]=4 327 B3R0.2 CB(O)O 26076 [2,0,0,0,0,0|1,1,0]=4 328 B3R0.2 CC(=O)O 29388 [2,0,0,0,0,0|0,1,1]=4 329 B3R0.2 CC(=O)O C90337 [2,0,0,0,0,0|0,1,1]=4 330 B3R0.2 CC(=O)S D92569 [2,0,0,0,0,0|0,0,2]=4 331 B3R0.2 CC(C)Br D87619 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.2 CC(C)N A10746 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.2 CC(C)[O-] T72011 [2,0,0,0,0,0|0,1,0]=3 334 B3R0.2 CN(C)C F19571 [2,0,0,0,0,0|2,0,0]=4 335 B3R0.2 CN(C)N H10568 [2,0,0,0,0,0|2,0,0]=4 336 B3R0.2 CP(C)C D81836 [2,0,0,0,0,0|2,0,0]=4 337 B3R0.2 CP(C)C F20488 [2,0,0,0,0,0|2,0,0]=4 338 B3R0.2 C[PH](C)=O 20677 [2,0,0,0,0,0|1,1,0]=4 339 B3R0.2 C[S+](C)Br D89000 [2,0,0,0,0,0|2,0,0]=4 340 B3R0.2 C[S+](C)C 11523 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 C=CC[C@H](C)O D92157 [1,1,0,0,0,0|1,1,0]=4 342 B5R0.1 CC(=O)CCO 55787 [1,1,0,0,0,0|0,1,1]=4 343 B5R0.1 CC(=O)NCO FD10622 [1,1,0,0,0,0|0,1,1]=4 344 B5R0.1 CC(C)=CCO F20316 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.1 CC(C)CC#N 30285 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.1 CC(C)CNN 86152 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.1 CC(C)CON H10571 [1,1,0,0,0,0|1,0,0]=3 348 B5R0.1 CCC[C@H](C)N 28967 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.1 CCC[C@H](C)O RB3003 [1,1,0,0,0,0|1,1,0]=4 350 B5R0.1 CCC[C@H](C)O T72186 [1,1,0,0,0,0|1,1,0]=4 351 B5R0.1 CCNC(C)C D77967 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.1 CN(C)CCS 35911 [1,1,0,0,0,0|2,0,0]=4 353 B5R0.1 COCC(C)=O D91400 [1,1,0,0,0,0|0,1,1]=4 354 B5R0.1 COC[C@H](C)O 35103 [1,1,0,0,0,0|0,1,0]=3 355 B5R0.1 COC[C@H](C)O O10158 [1,1,0,0,0,0|0,1,0]=3 356 B5R0.1 CSCC(=O)O F15988 [1,1,0,0,0,0|0,1,1]=4 357 B5R0.1 CSC[S@](C)=O 63104 [1,1,0,0,0,0|1,1,0]=4 358 B5R0.1 C[C@H](Br)CC#N D88813 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.1 C[C@H](Cl)CCCl D89632 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.1 C[C@H](N)CC#N N12426 [1,1,0,0,0,0|2,0,0]=4 361 B5R0.1 C[C@H](N)CCO 36141 [1,1,0,0,0,0|1,0,0]=3 362 B5R0.1 C[C@H](N)CCO 36142 [1,1,0,0,0,0|1,0,0]=3 363 B5R0.1 C[C@H](N)CCO F11725 [1,1,0,0,0,0|1,0,0]=3 364 B5R0.1 C[C@H](O)CCO 55765 [1,1,0,0,0,0|0,1,0]=3 365 B5R0.1 C[C@H](O)CCO O10183 [1,1,0,0,0,0|0,1,0]=3 366 B5R0.1 C[C@H](O)CNN 71999 [1,1,0,0,0,0|1,1,0]=4 367 B5R0.1 C[NH2+]CC(C)C D91375 [1,1,0,0,0,0|2,0,0]=4 368 B5R0.1 O=C(O)CCS AT21041 [1,1,0,0,0,0|0,1,1]=4 369 B5R0.4 CC(C)(C)CBr D78161 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.4 CC(C)(C)CCl D89303 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.4 CC(C)(C)CI AT22032 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.4 CC(C)(C)CN C10662 [1,1,0,0,0,0|2,0,0]=4 373 B5R0.4 CC(C)(C)CN H10567 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.4 CC(C)(C)CO D78368 [1,1,0,0,0,0|1,0,0]=3 375 B5R0.4 CC(C)(C)NO 77596 [1,1,0,0,0,0|2,0,0]=4 376 B5R0.4 CC(C)(C)NO 77597 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.4 CC(C)(N)CN 22841 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.4 CC(C)(N)CO P20005 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.4 CC(C)(O)CCl 28897 [1,1,0,0,0,0|1,1,0]=4 380 B5R0.4 CC(C)(O)CN 24534 [1,1,0,0,0,0|1,1,0]=4 381 B5R0.4 CC(C)(O)CN 62304 [1,1,0,0,0,0|1,1,0]=4 382 B5R0.4 CC(C)(O)CO 31979 [1,1,0,0,0,0|0,1,0]=3 383 B5R0.4 CC(C)(S)CN 39451 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.4 CC(F)(F)CN 86673 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.4 CC(F)(F)CO 60421 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.4 CCC(C)(C)Br D88670 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.4 CCC(C)(C)[O-] D94775 [1,1,0,0,0,0|1,1,0]=4 388 B5R0.4 C[Si](C)(C)CO S12036 [1,1,0,0,0,0|1,1,0]=4 389 B5R0.4 OCC(Br)(Br)Br D87616 [1,1,0,0,0,0|2,0,0]=4 390 B5R0.4 OCC(Cl)(Cl)Cl D70779 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.4 OCC(F)(F)F C93508 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.5 CC(=O)[C@H](C)S D91540 [1,1,0,0,0,0|0,0,2]=4 393 B5R0.5 CC(Br)C(C)Br D89609 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.5 CC(C)B(O)O 33150 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.5 CC(C)[C@H](C)S D91580 [1,1,0,0,0,0|1,0,0]=3 396 B5R0.5 CC(O)C(C)O F14836 [1,1,0,0,0,0|0,1,0]=3 397 B5R0.5 CC(O)C(C)S D91539 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.5 CC(S)C(C)S D88972 [1,1,0,0,0,0|0,0,0]=2 399 B5R0.5 C[C@H](Br)C(=O)O 70715 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.5 C[C@H](Br)C(=O)O H10882 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.5 C[C@H](Cl)C(=O)O 36674 [1,1,0,0,0,0|1,0,1]=4 402 B5R0.5 C[C@H](Cl)C(=O)O F16436 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.5 C[C@H](F)C(=O)O N12158 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.5 C[C@H](N)C(=O)O 30773 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.5 C[C@H](N)C(=O)O C75806 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.5 C[C@H](N)C(=O)O D72543 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.5 C[C@H](N)C(=O)O D84362 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.5 C[C@H](O)C(=O)O D71144 [1,1,0,0,0,0|0,1,1]=4 409 B5R0.5 C[C@H](O)C(=O)O F14892 [1,1,0,0,0,0|0,1,1]=4 410 B5R0.5 C[C@H](O)[C@H](C)O C73651 [1,1,0,0,0,0|0,1,0]=3 411 B5R0.2 BrCCCCBr D77910 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.2 C#CCCCC 75209 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.2 C#CCCCCl 76259 [1,1,0,0,0,0|2,0,0]=4 414 B5R0.2 C#CCCCO 32105 [1,1,0,0,0,0|1,0,0]=3 415 B5R0.2 C=CCCCBr 78391 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.2 C=CCCCCl O11411 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.2 C=CCCCN 68255 [1,1,0,0,0,0|2,0,0]=4 418 B5R0.2 C=CCCCN 86153 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.2 C=CCCCO 76184 [1,1,0,0,0,0|1,0,0]=3 420 B5R0.2 C=COCCO D78209 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.2 CCC#CCO F19221 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.2 CCCCNN F17594 [1,1,0,0,0,0|2,0,0]=4 423 B5R0.2 CCCCON H11431 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.2 CCCNCC F21346 [1,1,0,0,0,0|2,0,0]=4 425 B5R0.2 CCNCCN AB11316 [1,1,0,0,0,0|2,0,0]=4 426 B5R0.2 CCNCCO 20098 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.2 CCOCCCl 29431 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.2 CCSCCCl D89330 [1,1,0,0,0,0|2,0,0]=4 429 B5R0.2 CNCCCCl F16501 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.2 CNCCCN 37144 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.2 CNCCCO 36133 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.2 CNCCOC D70346 [1,1,0,0,0,0|2,0,0]=4 433 B5R0.2 CNCCSC AC2521 [1,1,0,0,0,0|2,0,0]=4 434 B5R0.2 COCCC#N D71223 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.2 COCCCBr F11235 [1,1,0,0,0,0|1,0,0]=3 436 B5R0.2 COCCCCl H11766 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.2 COCCCN D81053 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.2 COCCNN 72234 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.2 COCCOC D81126 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.2 COCCOC D83907 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.2 COCCOC F16635 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.2 COCCON D82747 [1,1,0,0,0,0|2,0,0]=4 443 B5R0.2 CSCCCO 79218 [1,1,0,0,0,0|0,0,0]=2 444 B5R0.2 CSCCC[NH3+] D91382 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.2 ClCCCCBr F11271 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.2 ClCCCCI A10998 [1,1,0,0,0,0|2,0,0]=4 447 B5R0.2 ClCCOCCl 29087 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.2 FCCCCBr D87758 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.2 ICCCCI AC1274 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.2 N#CCCCBr 35256 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.2 N#CCCCCl 20443 [1,1,0,0,0,0|2,0,0]=4 452 B5R0.2 NCCCCBr 24475 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.2 NCCCCN F17678 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.2 NCCCCN N11902 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.2 NCCCCO 51530 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.2 OCCCCBr 54526 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.2 OCCCCCl F11085 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.2 OCCCCI D81265 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.2 OCCNCO D91013 [1,1,0,0,0,0|0,1,0]=3 460 B5R0.2 OC\C=C/CO D70059 [1,1,0,0,0,0|0,1,1]=4 461 B5R0.2 OC\C=C\CO 70835 [1,1,0,0,0,0|0,1,1]=4 462 B5R0.2 [N-]=[N+]=NCCO A12080 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.2 CC(C)C[C@H](N)CO 34445 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.2 CC(C)C[C@H](N)CO 39403 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.2 CC(C)C[C@H](N)CO A10467 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.2 CC[C@H](C)CC(=O)O 63956 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.2 CC[C@H](C)CC(=O)O 63972 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.2 CC[C@H](N)CC(=O)O 52001 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.2 CC[C@H](N)CC(=O)O 52002 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.2 CN(C)C[C@H](O)CO O10883 [0,2,0,0,0,0|1,1,0]=4 473 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [0,2,0,0,0,0|1,1,0]=4 475 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [0,2,0,0,0,0|1,1,0]=4 476 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [0,2,0,0,0,0|1,1,0]=4 477 B7R0.2 N[C@H](CO)CC(=O)O 27226 [0,2,0,0,0,0|1,1,0]=4 478 B7R0.3 CCCC[C@H](N)CO A11352 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.3 CCCC[C@H](N)CO N12322 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.3 CCCC[C@H](O)CO F11270 [0,2,0,0,0,0|1,1,0]=4 481 B7R0.3 CCOC[C@@H](O)CO H11846 [0,2,0,0,0,0|0,2,0]=4 482 B7R0.3 CSCC[C@H](N)CO T72236 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.3 OCCC[C@H](O)CO T71793 [0,2,0,0,0,0|0,2,0]=4 484 B7R0.5 CC(C)[C@@H](N)CCO 29776 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.7 CCC[C@H](C)CCO T71716 [0,2,0,0,0,0|2,0,0]=4 487 B7R0.7 CCC[C@H](S)CCO D84193 [0,2,0,0,0,0|1,0,0]=3 488 B7R0.7 COCC(N)COC 25069 [0,2,0,0,0,0|1,1,0]=4 489 B7R0.7 COCC(O)COC 20633 [0,2,0,0,0,0|0,2,0]=4 490 B7R0.10 CCC(S)C(C)CO A10541 [0,2,0,0,0,0|1,0,0]=3 491 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [0,2,0,0,0,0|2,0,0]=4 492 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.10 COC(=O)[C@@H](N)CS 27842 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.10 COC(=O)[C@@H](N)CS H10905 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.10 OC[C@H](O)[C@H](O)CO E70403 [0,2,0,0,0,0|0,2,0]=4 497 B7R0.10 O[C@@H](CS)[C@@H](O)CS D70251 [0,2,0,0,0,0|0,1,0]=3 498 B7R0.10 O[C@H](CS)[C@@H](O)CS D89833 [0,2,0,0,0,0|0,1,0]=3 499 B7R0.11 CC(C)(CO)CCO W19543 [0,2,0,0,0,0|1,1,0]=4 500 B7R0.13 OCC(F)(F)C(F)F AT23334 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.14 CC(C)(C)[C@@H](N)CO 31123 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.14 CC(C)(C)[C@@H](N)CO F12551 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.14 OC[C@H](Br)C(F)(F)F FD2052 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.14 OC[C@H](O)C(F)(F)F C77670 [0,2,0,0,0,0|1,1,0]=4 505 B7R0.15 CN(C)C(CO)CO D82869 [0,2,0,0,0,0|1,1,0]=4 506 B7R0.18 CCC(N)(CO)CO D71113 [0,2,0,0,0,0|1,1,0]=4 507 B7R0.18 NC(CO)(CO)CO F20293 [0,2,0,0,0,0|0,2,0]=4 508 B7R0.18 NC(CO)(CO)CO F20305 [0,2,0,0,0,0|0,2,0]=4 509 B7R0.18 NC(CO)(CO)CO P17498 [0,2,0,0,0,0|0,2,0]=4 510 B5R1.2 BrC1CCC1 23146 [1,0,0,1,0,0|2,0,0]=4 511 B5R1.2 BrC1CNC1 70950 [1,0,0,1,0,0|2,0,0]=4 512 B5R1.2 BrC1COC1 CS1302 [1,0,0,1,0,0|1,0,0]=3 513 B5R1.2 CC1CNC1 80306 [1,0,0,1,0,0|2,0,0]=4 514 B5R1.2 C[C@H]1CCN1 86769 [1,0,0,1,0,0|2,0,0]=4 515 B5R1.2 IC1COC1 66502 [1,0,0,1,0,0|1,0,0]=3 516 B5R1.2 NC1CCC1 51600 [1,0,0,1,0,0|2,0,0]=4 517 B5R1.2 NC1CCC1 F10463 [1,0,0,1,0,0|2,0,0]=4 518 B5R1.2 NC1CNC1 SC3251 [1,0,0,1,0,0|2,0,0]=4 519 B5R1.2 NC1COC1 66129 [1,0,0,1,0,0|1,0,0]=3 520 B5R1.2 NC1COC1 CS1335 [1,0,0,1,0,0|1,0,0]=3 521 B5R1.2 O=C1COC1 66386 [1,0,0,1,0,0|0,1,1]=4 522 B5R1.2 O=C1CSC1 BL008272 [1,0,0,1,0,0|0,1,1]=4 523 B5R1.2 OC1CCC1 59166 [1,0,0,1,0,0|1,1,0]=4 524 B5R1.2 OC1CNC1 52824 [1,0,0,1,0,0|1,1,0]=4 525 B5R1.2 OC1COC1 66387 [1,0,0,1,0,0|0,1,0]=3 526 B5R1.2 OC1CSC1 P17229 [1,0,0,1,0,0|0,1,0]=3 527 B5R1.3 BrCC1CC1 23011 [1,0,0,1,0,0|2,0,0]=4 528 B5R1.3 BrC[C@H]1CO1 D87836 [1,0,0,1,0,0|1,1,0]=4 529 B5R1.3 CC[C@H]1CO1 A11382 [1,0,0,1,0,0|1,1,0]=4 530 B5R1.3 ClCC1CC1 58186 [1,0,0,1,0,0|2,0,0]=4 531 B5R1.3 ClC[C@H]1CO1 37930 [1,0,0,1,0,0|1,1,0]=4 532 B5R1.3 NCC1CC1 F11902 [1,0,0,1,0,0|2,0,0]=4 533 B5R1.3 OC[C@H]1CO1 23077 [1,0,0,1,0,0|0,1,0]=3 534 B5R1.3 OC[C@H]1CO1 A10767 [1,0,0,1,0,0|0,1,0]=3 535 B5R1.3 OC[C@H]1CO1 H11320 [1,0,0,1,0,0|0,1,0]=3 536 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [1,0,0,1,0,0|2,0,0]=4 537 B5R1.5 CC1(C)CO1 75298 [1,0,0,1,0,0|1,0,0]=3 538 B5R1.5 CC1(N)CC1 26732 [1,0,0,1,0,0|2,0,0]=4 539 B5R1.1 C1CCNC1 A12343 [1,0,0,1,0,0|2,0,0]=4 540 B5R1.1 C1CCNC1 D95438 [1,0,0,1,0,0|2,0,0]=4 541 B5R1.1 C1CCOC1 D97750 [1,0,0,1,0,0|1,0,0]=3 542 B5R1.1 C1CNOC1 72098 [1,0,0,1,0,0|1,0,0]=3 543 B5R1.1 C1COCO1 D89731 [1,0,0,1,0,0|2,0,0]=4 544 B5R1.1 C1CSCN1 H10192 [1,0,0,1,0,0|2,0,0]=4 545 B5R1.1 C1CSCN1 H11361 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.1 CN[C@H]1CCOC1 P10528 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.1 CN[C@H]1CCOC1 P10858 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.1 IC[C@H]1CCOC1 P10359 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.1 N#C[C@H]1CCOC1 71748 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.1 NC[C@H]1CCOC1 37315 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.1 O=C[C@H]1CCOC1 I10170 [0,1,0,1,0,0|1,1,0]=4 553 B7R1.1 OCC1CC=CC1 23897 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.1 OCC1CCCC1 23321 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.1 OCC1OCCO1 I11345 [0,1,0,1,0,0|1,1,0]=4 556 B7R1.1 OC[C@H]1CCCN1 11146 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.1 OC[C@H]1CCCN1 11148 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.1 OC[C@H]1CCCN1 F10903 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.1 OC[C@H]1CCCO1 D77646 [0,1,0,1,0,0|1,1,0]=4 560 B7R1.1 OC[C@H]1CCCO1 W18447 [0,1,0,1,0,0|1,1,0]=4 561 B7R1.1 OC[C@H]1CCNC1 25702 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.1 OC[C@H]1CCNC1 62385 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.1 OC[C@H]1CCNC1 62386 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.1 OC[C@H]1CCNC1 62387 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.1 OC[C@H]1CCOC1 83670 [0,1,0,1,0,0|1,1,0]=4 566 B7R1.1 OC[C@H]1COCO1 D70284 [0,1,0,1,0,0|0,2,0]=4 567 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [0,1,0,1,0,0|1,1,0]=4 568 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,1,0,1,0,0|0,2,0]=4 569 B7R1.2 OC1CCC(O)C1 P10003 [0,1,0,1,0,0|1,1,0]=4 570 B7R1.3 BrC1CCOCC1 34656 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.3 Br[C@H]1CCCOC1 26576 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.3 C[C@H]1COCCN1 24436 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.3 C[C@H]1COCCN1 25281 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.3 C[C@H]1COCCN1 36208 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.3 C[C@H]1COCCN1 39286 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.3 C[C@H]1COCCN1 63476 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.3 ClC1CCOCC1 F17652 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.3 IC1CCOCC1 25900 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.3 NC1CCOCC1 66544 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.3 NC1CCOCC1 83442 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.3 NC1CCOCC1 D95622 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.3 NC1CCSCC1 F15695 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.3 NC1CCSCC1 SC1591 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.3 N[C@H]1CCCOC1 53314 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.3 N[C@H]1CCCOC1 69737 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.3 N[C@H]1CCCOC1 P10539 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.3 OC1CCOCC1 67293 [0,1,0,1,0,0|1,1,0]=4 588 B7R1.3 OC1CCSCC1 25187 [0,1,0,1,0,0|1,1,0]=4 589 B7R1.3 OC1COCOC1 C10654 [0,1,0,1,0,0|0,2,0]=4 590 B7R1.3 O[C@H]1CCCOC1 25828 [0,1,0,1,0,0|1,1,0]=4 591 B7R1.4 CC1OCCC1S AT13652 [0,1,0,1,0,0|1,0,0]=3 592 B7R1.4 NC1CCCC1O 25425 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,1,0,1,0,0|1,1,0]=4 600 B7R1.4 OC1CCCC1O 31469 [0,1,0,1,0,0|1,1,0]=4 601 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,1,0,1,0,0|1,1,0]=4 603 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,1,0,1,0,0|1,1,0]=4 605 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,1,0,1,0,0|1,1,0]=4 606 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,1,0,1,0,0|1,1,0]=4 607 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,1,0,1,0,0|0,2,0]=4 608 B7R1.6 COC[C@H]1CCN1 P13481 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.6 COC[C@H]1CCN1 P14494 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.10 CN1CC(CO)C1 P15220 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.10 NC1CC(CO)C1 37213 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.10 NC[C@H]1C[C@@H](O)C1 37658 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.10 O=C1CC(CO)C1 P11065 [0,1,0,1,0,0|1,1,0]=4 614 B7R1.10 OCC1CC(Cl)C1 38986 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.25 CC1(CBr)COC1 35403 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.25 CC1(CCl)COC1 P10201 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.25 CC1(CI)COC1 30624 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.25 CC1(CN)COC1 66391 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.25 CC1(CO)COC1 59847 [0,1,0,1,0,0|1,1,0]=4 620 B7R1.25 NC1(CO)CCC1 37739 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.25 OCC1(F)CNC1 86197 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.18 C[C@H](O)C1CCC1 24983 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.18 C[C@H](O)C1CCC1 P18048 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.23 OC[C@H]1CC1(F)F 33581 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.29 NCC1(CO)CC1 F20219 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.29 OCC1(CO)CC1 87294 [0,1,0,1,0,0|1,1,0]=4 627 B7R2.13 C1OCC2OC12 39124 [0,0,0,2,0,0|1,1,0]=4