0 B6R0.1 C=C[C@@H](O)CCC D90922 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCC(=O)CC#N 28991 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 CCCC(=O)CC D90801 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.1 CCCC(=O)NN O11707 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCCC(=O)SC D91533 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CCC[C@H](C)CCl D89415 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCC[C@H](N)CO A10468 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCC[C@H](O)CO 73676 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 CCOC(=N)CC W15737 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCOC(=O)CN C93496 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CCOC(=O)CO 39380 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CCOC(=O)CS F21271 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCOC(=O)NC D91332 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CCOC(=O)OC A11149 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CCO[C@@H](C)CC D88933 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CNCC(=O)NC 71568 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 CNCC(=O)OC 73733 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 CNC[C@H](O)CO CL4501 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 COC(=O)CCBr AB7483 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 COC(=O)CCCl D95821 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 COC(=O)CCN S12362 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 COC(=O)CCO 29940 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 COC(=O)CCS D70327 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 COC(=O)CSC D87959 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 COC[C@@H](O)CO H10736 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 COC[C@H](O)CCl D84795 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.1 CO[C@@H](C)CCO D77758 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 CS[C@@H](C)CC=O D91557 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 C[C@H](CO)CCN 78036 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.1 C[C@H](CO)CCO 63982 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.1 C[C@H](CO)CCO 70021 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.1 C\C=C\C(=O)CC 74326 [0,0,0,0,0,0|0,0,4]=4 33 B6R0.1 N#CC[C@H](O)CCl 23634 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 N#CC[C@H](O)CCl F20410 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.1 OCC[C@H](O)CCl D94503 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.1 OCC[C@H](O)CO 56159 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.1 OCC[C@H](O)CO 56160 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.1 OCC[C@H](O)CO AC2226 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.1 O[C@H](CBr)CCBr F14612 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 C=C(C)CCBr 80247 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 C=C(C)OCC 78535 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 C=CC[C@H](C)O D92157 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.1 CC(=O)CCCl F20480 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CC(=O)CCO 55787 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 CC(C)CC#N 30285 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CC(C)CNN 86152 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CC(C)CON H10571 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CC=C[C@H](C)O D84201 [1,0,0,0,0,0|0,0,2]=3 49 B5R0.1 CCCB(O)O 33060 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CCCC(=N)N W10324 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CCCC(=O)[O-] D84277 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 CCCC(N)=O D70204 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 CCC[C@H](C)N 28967 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 CCC[C@H](C)O RB3003 [1,0,0,0,0,0|0,0,0]=1 55 B5R0.1 CCC[C@H](C)O T72186 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.1 CCC[N+](=O)[O-] D97683 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CCNC(C)=O AC2513 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 CCNC(C)C D77967 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CCOC(C)=N D70134 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CCO[SiH](C)C I11477 [1,0,0,0,0,0|2,1,0]=4 61 B5R0.1 CCSC(C)=O H11301 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 CN(C)CCBr O10701 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CN(C)CCCl D77997 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CN(C)CCN S12293 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CN(C)CCS 35911 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CNCC(=O)O 73735 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CNCC(=O)O AC7804 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 COCC(=O)O D77874 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 COCC(C)=O D91400 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 COC[C@H](C)O 35103 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 COC[C@H](C)O O10158 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 CSCC(=O)O F15988 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CSC[S@](C)=O 63104 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 C[C@H](Br)CC#N D88813 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 C[C@H](Cl)CCCl D89632 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 C[C@H](N)CC#N N12426 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 C[C@H](N)CCO 36141 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 C[C@H](N)CCO 36142 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 C[C@H](N)CCO F11725 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 C[C@H](O)CCO 55765 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.1 C[C@H](O)CCO O10183 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.1 C[C@H](O)CNN 71999 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 C[NH2+]CC(C)C D91375 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 O=C(O)CCBr P17146 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 O=C(O)CCF 71324 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 O=C(O)CCI D91073 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 O=C(O)CCO 77998 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 O=C(O)CCS AT21041 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 BrCCCCBr D77910 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 C#CCCCC 75209 [1,0,0,0,0,0|0,0,2]=3 91 B5R0.2 C#CCCCCl 76259 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.2 C#CCCCO 32105 [1,0,0,0,0,0|1,0,2]=4 93 B5R0.2 C=CCCCBr 78391 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.2 C=CCCCCl O11411 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.2 C=CCCCN 68255 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.2 C=CCCCN 86153 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.2 C=CCCCO 76184 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.2 CCC#CCO F19221 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.2 CCCCNN F17594 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.2 CCCCON H11431 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.2 CCCNCC F21346 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.2 CCNCCN AB11316 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.2 CCNCCO 20098 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.2 CCOCCCl 29431 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.2 CCSCCCl D89330 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.2 CCSSCC D89662 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 CNCCC#N 75878 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 CNCCCCl F16501 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.2 CNCCCN 37144 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.2 CNCCCO 36133 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 CNCCNC 39416 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.2 CNCCOC D70346 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 CNCCSC AC2521 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.2 COCCC#N D71223 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.2 COCCCBr F11235 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.2 COCCCCl H11766 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 COCCCN D81053 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.2 COCCNN 72234 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.2 COCCOC D81126 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 COCCOC D83907 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 COCCOC F16635 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 COCCON D82747 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.2 CSCCCO 79218 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.2 CSCCC[NH3+] D91382 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.2 C\C=C/CCC D90857 [1,0,0,0,0,0|0,0,2]=3 126 B5R0.2 ClCCCCBr F11271 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.2 ClCCCCI A10998 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.2 ClCCOCCl 29087 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.2 FCCCCBr D87758 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.2 ICCCCI AC1274 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.2 N#CCCCBr 35256 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.2 N#CCCCCl 20443 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.2 NCCCCBr 24475 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.2 NCCCCN F17678 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.2 NCCCCN N11902 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.2 NCCCCO 51530 [1,0,0,0,0,0|2,0,0]=3 137 B5R0.2 OCCCCBr 54526 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.2 OCCCCCl F11085 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.2 OCCCCI D81265 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.2 OCCNCO D91013 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.3 C#C[C@@H](O)CC 75224 [1,0,0,0,0,0|0,0,2]=3 142 B5R0.3 C=C[C@@H](O)CC F15421 [1,0,0,0,0,0|0,0,2]=3 143 B5R0.3 C=C[C@@H](O)CO D79949 [1,0,0,0,0,0|1,0,2]=4 144 B5R0.3 CC(CBr)CBr 90917 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.3 CC(CN)CN T72131 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.3 CC(CO)CO D71170 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.3 CCC(=O)CBr F10475 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.3 CCC(=O)CO C75383 [1,0,0,0,0,0|1,0,2]=4 149 B5R0.3 CCC(=O)NC D91338 [1,0,0,0,0,0|1,0,2]=4 150 B5R0.3 CCC(Br)CC H11324 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.3 CCC(N)CC S12161 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.3 CCN(C)CC D97580 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.3 CCS(=O)CC D81870 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.3 CC[C@H](Br)CBr D89608 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CC[C@H](C)CBr A10884 [1,0,0,0,0,0|2,0,0]=3 156 B5R0.3 CC[C@H](C)CCl D89411 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.3 CC[C@H](C)CI D80608 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.3 CC[C@H](C)CN F16114 [1,0,0,0,0,0|2,0,0]=3 159 B5R0.3 CC[C@H](C)CO 88664 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.3 CC[C@H](C)CS D91431 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.3 CC[C@H](C)NC D95752 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CC[C@H](C)NN 72197 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.3 CC[C@H](N)CO 23160 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 CC[C@H](N)CO D87517 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 CC[C@H](N)CO F14569 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.3 CC[C@H](O)CN D97409 [1,0,0,0,0,0|1,0,0]=2 167 B5R0.3 CC[C@H](O)CO C10640 [1,0,0,0,0,0|1,0,0]=2 168 B5R0.3 CC[C@H](O)CO O10222 [1,0,0,0,0,0|1,0,0]=2 169 B5R0.3 CO[C@@H](C)CN 91004 [1,0,0,0,0,0|3,0,0]=4 170 B5R0.3 CO[C@@H](C)CO 29137 [1,0,0,0,0,0|3,0,0]=4 171 B5R0.3 CO[C@@H](C)CO 35966 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.3 C[C@@H](CN)CO 78445 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.3 C[C@@H](CN)CO AB10326 [1,0,0,0,0,0|3,0,0]=4 174 B5R0.3 ClCC(Cl)CCl D97722 [1,0,0,0,0,0|3,0,0]=4 175 B5R0.3 NC(CO)CO F10927 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.3 NCC(O)CN O10345 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.3 NC[C@H](O)CCl 91258 [1,0,0,0,0,0|2,0,0]=3 178 B5R0.3 NC[C@H](O)CCl F14970 [1,0,0,0,0,0|2,0,0]=3 179 B5R0.3 NC[C@H](O)CO 52095 [1,0,0,0,0,0|2,0,0]=3 180 B5R0.3 NC[C@H](O)CO CL4509 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.3 NC[C@H](O)CO H10491 [1,0,0,0,0,0|2,0,0]=3 182 B5R0.3 OC(CBr)CBr 90914 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.3 OCC(O)CO C13300 [1,0,0,0,0,0|2,0,0]=3 184 B5R0.3 OCC(O)CO D92249 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.3 OC[C@H](Cl)CCl D89647 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.3 OC[C@H](O)CBr D84178 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.3 OC[C@H](O)CCl 28070 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.3 OC[C@H](O)CCl 28077 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.3 OC[C@H](O)CS D92320 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.3 OC[C@H](S)CS D89691 [1,0,0,0,0,0|2,1,0]=4 191 B5R0.3 O[C@@H](CCl)CI D79037 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.3 O[C@@H](CCl)CI D79038 [1,0,0,0,0,0|2,0,0]=3 193 B7R0.2 CC(C)C[C@H](N)CO 34445 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.2 CC(C)C[C@H](N)CO 39403 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.2 CC(C)C[C@H](N)CO A10467 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.2 CCC(=O)CC(C)=O 24687 [0,1,0,0,0,0|0,0,3]=4 197 B7R0.2 CCC(=O)CC(C)C D90471 [0,1,0,0,0,0|0,0,2]=3 198 B7R0.2 CCC(C)CC(C)N 40016 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.2 CCC(C)CC(C)N D88161 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.2 CC[C@H](C)CC(=O)O 63956 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.2 CC[C@H](C)CC(=O)O 63972 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.2 CC[C@H](N)CC(=O)O 52001 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.2 CC[C@H](N)CC(=O)O 52002 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.2 CN(C)C[C@H](O)CO O10883 [0,1,0,0,0,0|2,0,0]=3 207 B7R0.2 COC(=O)CC(C)C 79108 [0,1,0,0,0,0|1,0,2]=4 208 B7R0.2 COC(=O)C[C@H](C)Br O11908 [0,1,0,0,0,0|1,0,2]=4 209 B7R0.2 COC(=O)C[C@H](C)N 75000 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.2 COC(=O)C[C@H](C)N 75001 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.2 COC(=O)C[C@H](C)N F14792 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.2 COC(=O)C[C@H](C)O AC7720 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.2 COC(=O)C[C@H](C)O C14861 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.2 COC(=O)C[C@H](C)O F15447 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.2 C[C@H](CCl)CN(C)C D71215 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.3 C#C[C@@H](O)CCCC D90876 [0,1,0,0,0,0|0,0,2]=3 220 B7R0.3 C=CCC[C@H](Br)CBr T70912 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.3 CCCCC(=O)CC D90783 [0,1,0,0,0,0|0,0,2]=3 222 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.3 CCCC[C@H](N)CO A11352 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.3 CCCC[C@H](N)CO N12322 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.3 CCCC[C@H](O)CO F11270 [0,1,0,0,0,0|1,0,0]=2 226 B7R0.3 CCCOC(=O)OC D83836 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.3 CCOC[C@@H](O)CO H11846 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.3 CNCCC(=O)NC 30723 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.3 CNCCC(=O)OC 32388 [0,1,0,0,0,0|1,0,2]=4 230 B7R0.3 COC(=O)CCCBr S11981 [0,1,0,0,0,0|1,0,2]=4 231 B7R0.3 COC(=O)CCCCl 28856 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.3 COC(=O)CCCN 64233 [0,1,0,0,0,0|1,0,2]=4 233 B7R0.3 CSCC[C@H](N)CO T72236 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.3 OCCC[C@H](O)CO T71793 [0,1,0,0,0,0|1,0,0]=2 235 B7R0.5 CC(C)[C@@H](N)CCO 29776 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.5 CCCC(=O)C(C)C D91358 [0,1,0,0,0,0|0,0,2]=3 237 B7R0.5 CCC[C@H](C)C(=O)O D78086 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.5 CCC[C@H](N)C(=O)O 27282 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.5 CCC[C@H](N)C(=O)O 73286 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.5 CCC[C@H](N)C(=O)O D70899 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.5 CCOC(=O)[C@H](C)F 28664 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.5 CCOC(=O)[C@H](C)I D90599 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.5 CCOC(=O)[C@H](C)N 75100 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [0,1,0,0,0,0|1,0,2]=4 247 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.5 CCOC(=O)[C@H](C)O 35087 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.5 CCOC(=O)[C@H](C)S D81899 [0,1,0,0,0,0|1,0,2]=4 250 B7R0.5 CCO[C@H](O)C(F)F F30106 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.5 NCC[C@H](O)C(=O)O 28622 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.5 NCC[C@H](O)C(=O)O O11154 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.7 C=CCC(O)CC=C 62104 [0,1,0,0,0,0|0,0,3]=4 254 B7R0.7 CCCC(=O)OCCl F20378 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.7 CCCC(N)CCC 28065 [0,1,0,0,0,0|1,0,0]=2 256 B7R0.7 CCCC(O)CCC H10221 [0,1,0,0,0,0|0,0,0]=1 257 B7R0.7 CCCN(C)CCC D95729 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.7 CCC[C@H](C)CCO T71716 [0,1,0,0,0,0|1,0,0]=2 259 B7R0.7 CCC[C@H](S)CCO D84193 [0,1,0,0,0,0|0,1,0]=2 260 B7R0.7 CCNC(=O)NCC F11262 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.7 CCOC(=O)CCBr F11254 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.7 CCOC(=O)CCCl D89381 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.7 CCOC(=O)CCI 23721 [0,1,0,0,0,0|1,0,2]=4 264 B7R0.7 CCOC(=O)CCN AC7506 [0,1,0,0,0,0|1,0,2]=4 265 B7R0.7 CCOC(=O)CCO 30936 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.7 CCOC(=O)CCS D87716 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.7 CCOC(=O)CNC 73271 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.7 CCOC(=O)COC F11239 [0,1,0,0,0,0|1,0,2]=4 269 B7R0.7 CCOC(=O)CSC I10203 [0,1,0,0,0,0|1,0,2]=4 270 B7R0.7 CCOC(=O)OCC D97668 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.7 CCOP(Cl)OCC H10781 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.7 CCO[PH](=O)OCC 28436 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.7 CN(CCCl)CCCl F11444 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.7 CN(CCN)CCN E10179 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.7 COCC(N)COC 25069 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.7 COCC(O)COC 20633 [0,1,0,0,0,0|1,0,0]=2 277 B7R0.7 N#CCC(O)CC#N I10215 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.7 O=C(CCCl)CCCl 35039 [0,1,0,0,0,0|1,0,2]=4 279 B7R0.10 CCC(=O)C(=O)CC D90906 [0,1,0,0,0,0|0,0,3]=4 280 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [0,1,0,0,0,0|0,0,1]=2 281 B7R0.10 CCC(S)C(C)CO A10541 [0,1,0,0,0,0|1,1,0]=3 282 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [0,1,0,0,0,0|2,0,0]=3 283 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [0,1,0,0,0,0|2,0,0]=3 284 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.10 CC[C@H](N)C(=O)OC 63264 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.10 CC[C@H](N)C(=O)OC F11947 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.10 CC[C@H](N)C(=O)OC H10859 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.10 CC[C@H](O)C(=O)OC D94650 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.10 COC(=O)[C@@H](O)CO 24991 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.10 ClC[C@H](Cl)[C@H](Cl)CCl D95683 [0,1,0,0,0,0|3,0,0]=4 291 B7R0.10 OC[C@H](O)[C@H](O)CO E70403 [0,1,0,0,0,0|2,0,0]=3 292 B7R0.10 O[C@@H](CS)[C@@H](O)CS D70251 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.10 O[C@H](CS)[C@@H](O)CS D89833 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.11 CC(C)(CO)CCO W19543 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.11 CCS(=O)(=O)CCCl 71330 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.12 CCN(CC)CCBr 30292 [0,1,0,0,0,0|3,0,0]=4 297 B7R0.12 CCN(CC)CCS D89920 [0,1,0,0,0,0|3,0,0]=4 298 B7R0.12 CNCC(OC)OC 67627 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.12 COC(CC#N)OC F16138 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.12 COC(CCBr)OC 28799 [0,1,0,0,0,0|2,0,0]=3 301 B7R0.12 COC(CSC)OC F15987 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.12 COCC(OC)OC A10903 [0,1,0,0,0,0|2,0,0]=3 303 B7R1.1 BrCC1CCCC1 54494 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.1 BrCC1OCCO1 O10502 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.1 BrC[C@H]1CCCO1 P10030 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.1 C#CC1CCCC1 F16298 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.1 CCN1CCCC1 F17079 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.1 CNC1CCCC1 F20064 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.1 CN[C@H]1CCNC1 22848 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.1 CN[C@H]1CCNC1 71156 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.1 CN[C@H]1CCOC1 P10528 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.1 CN[C@H]1CCOC1 P10858 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.1 COC1=NCCC1 O11464 [0,0,0,1,0,0|2,0,1]=4 314 B7R1.1 COC1OCCO1 D78408 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.1 CO[C@H]1CCNC1 27715 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.1 CO[C@H]1CCNC1 63946 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.1 CO[C@H]1CCNC1 63947 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.1 CO[C@H]1CCNC1 P10861 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.1 ClCC1OCCO1 H10733 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.1 ClC[C@H]1CCCO1 D78464 [0,0,0,1,0,0|1,0,0]=2 321 B7R1.1 ICC1CCCC1 53338 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.1 IC[C@H]1CCOC1 P10359 [0,0,0,1,0,0|3,0,0]=4 323 B7R1.1 N#CC1CCCC1 35375 [0,0,0,1,0,0|2,0,1]=4 324 B7R1.1 N#C[C@@H]1CCCN1 37677 [0,0,0,1,0,0|2,0,1]=4 325 B7R1.1 N#C[C@@H]1CCCN1 37679 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.1 NCC1CCCC1 52183 [0,0,0,1,0,0|2,0,0]=3 327 B7R1.1 NCC1OCCO1 F50673 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.1 NC[C@H]1CCCN1 36336 [0,0,0,1,0,0|2,0,0]=3 329 B7R1.1 NC[C@H]1CCCN1 38156 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.1 NC[C@H]1CCOC1 37315 [0,0,0,1,0,0|3,0,0]=4 331 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,0,0,1,0,0|3,0,0]=4 332 B7R1.1 NNC1CCCC1 AB1370 [0,0,0,1,0,0|3,0,0]=4 333 B7R1.1 O=CC1CCCC1 H11353 [0,0,0,1,0,0|2,0,1]=4 334 B7R1.1 OCC1CCCC1 23321 [0,0,0,1,0,0|2,0,0]=3 335 B7R1.1 OCC1OCCO1 I11345 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.1 OC[C@H]1CCCN1 11146 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.1 OC[C@H]1CCCN1 11148 [0,0,0,1,0,0|2,0,0]=3 338 B7R1.1 OC[C@H]1CCCN1 F10903 [0,0,0,1,0,0|2,0,0]=3 339 B7R1.1 OC[C@H]1CCCO1 D77646 [0,0,0,1,0,0|1,0,0]=2 340 B7R1.1 OC[C@H]1CCCO1 W18447 [0,0,0,1,0,0|1,0,0]=2 341 B7R1.1 OC[C@H]1CCNC1 25702 [0,0,0,1,0,0|3,0,0]=4 342 B7R1.1 OC[C@H]1CCNC1 62385 [0,0,0,1,0,0|3,0,0]=4 343 B7R1.1 OC[C@H]1CCNC1 62386 [0,0,0,1,0,0|3,0,0]=4 344 B7R1.1 OC[C@H]1CCNC1 62387 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.1 OC[C@H]1CCOC1 83670 [0,0,0,1,0,0|3,0,0]=4 346 B7R1.1 OC[C@H]1COCO1 D70284 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.2 CC1CCC(C)N1 D96806 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.2 CN1CC[C@H](N)C1 25845 [0,0,0,1,0,0|2,0,0]=3 349 B7R1.2 CN1CC[C@H](N)C1 72398 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.2 CN1CC[C@H](O)C1 62204 [0,0,0,1,0,0|1,0,0]=2 351 B7R1.2 CN1CC[C@H](O)C1 62205 [0,0,0,1,0,0|1,0,0]=2 352 B7R1.2 CN1CC[C@H](O)C1 62206 [0,0,0,1,0,0|1,0,0]=2 353 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [0,0,0,1,0,0|1,0,2]=4 354 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [0,0,0,1,0,0|0,0,2]=3 355 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [0,0,0,1,0,0|1,0,2]=4 356 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [0,0,0,1,0,0|1,0,2]=4 357 B7R1.2 O=C1C[C@H](O)CN1 26280 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.2 O=C1C[C@H](O)CN1 62393 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.2 O=C1C[C@H](O)CN1 62394 [0,0,0,1,0,0|2,0,1]=4 360 B7R1.2 O=C1C[C@H](O)CO1 H11711 [0,0,0,1,0,0|2,0,1]=4 361 B7R1.2 OC1CCC(O)C1 P10003 [0,0,0,1,0,0|1,0,0]=2 362 B7R1.3 BrC1=CCCCC1 N12373 [0,0,0,1,0,0|1,0,2]=4 363 B7R1.3 BrC1CCCCC1 P19773 [0,0,0,1,0,0|1,0,0]=2 364 B7R1.3 BrC1CCNCC1 CL3102 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.3 BrC1CCOCC1 34656 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.3 Br[C@@H]1C=CCCC1 25070 [0,0,0,1,0,0|1,0,2]=4 367 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,0,0,1,0,0|2,0,0]=3 368 B7R1.3 Br[C@H]1CCCOC1 26576 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.3 CC1=CCCCC1 H10759 [0,0,0,1,0,0|1,0,2]=4 370 B7R1.3 CC1SCCCS1 D75611 [0,0,0,1,0,0|3,0,0]=4 371 B7R1.3 CN1CCNCC1 D70771 [0,0,0,1,0,0|3,0,0]=4 372 B7R1.3 CN1CCOCC1 AB7556 [0,0,0,1,0,0|3,0,0]=4 373 B7R1.3 C[C@H]1CCCCN1 64251 [0,0,0,1,0,0|2,0,0]=3 374 B7R1.3 C[C@H]1CCCCN1 64253 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.3 C[C@H]1CCCNC1 79119 [0,0,0,1,0,0|2,0,0]=3 376 B7R1.3 C[C@H]1CCCNC1 N10739 [0,0,0,1,0,0|2,0,0]=3 377 B7R1.3 C[C@H]1CNCCN1 29363 [0,0,0,1,0,0|3,0,0]=4 378 B7R1.3 C[C@H]1CNCCN1 29364 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.3 C[C@H]1CNCCN1 29365 [0,0,0,1,0,0|3,0,0]=4 380 B7R1.3 C[C@H]1CNCCN1 29366 [0,0,0,1,0,0|3,0,0]=4 381 B7R1.3 C[C@H]1CNCCO1 27675 [0,0,0,1,0,0|3,0,0]=4 382 B7R1.3 C[C@H]1CNCCO1 F13092 [0,0,0,1,0,0|3,0,0]=4 383 B7R1.3 C[C@H]1COCCN1 24436 [0,0,0,1,0,0|3,0,0]=4 384 B7R1.3 C[C@H]1COCCN1 25281 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.3 C[C@H]1COCCN1 36208 [0,0,0,1,0,0|3,0,0]=4 386 B7R1.3 C[C@H]1COCCN1 39286 [0,0,0,1,0,0|3,0,0]=4 387 B7R1.3 C[C@H]1COCCN1 63476 [0,0,0,1,0,0|3,0,0]=4 388 B7R1.3 ClC1CCNCC1 57750 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.3 ClC1CCOCC1 F17652 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.3 FC1CCNCC1 37042 [0,0,0,1,0,0|2,0,0]=3 391 B7R1.3 FC1CCNCC1 I11481 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.3 F[C@H]1CCCNC1 37083 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.3 IC1CCCCC1 F20359 [0,0,0,1,0,0|1,0,0]=2 394 B7R1.3 IC1CCOCC1 25900 [0,0,0,1,0,0|2,0,0]=3 395 B7R1.3 NC1CCNCC1 66081 [0,0,0,1,0,0|2,0,0]=3 396 B7R1.3 NC1CCNCC1 66087 [0,0,0,1,0,0|2,0,0]=3 397 B7R1.3 NC1CCOCC1 66544 [0,0,0,1,0,0|2,0,0]=3 398 B7R1.3 NC1CCOCC1 83442 [0,0,0,1,0,0|2,0,0]=3 399 B7R1.3 NC1CCOCC1 D95622 [0,0,0,1,0,0|2,0,0]=3 400 B7R1.3 NC1CCSCC1 F15695 [0,0,0,1,0,0|2,0,0]=3 401 B7R1.3 NC1CCSCC1 SC1591 [0,0,0,1,0,0|2,0,0]=3 402 B7R1.3 NN1CCCCC1 77856 [0,0,0,1,0,0|2,0,0]=3 403 B7R1.3 NN1CCCCC1 78303 [0,0,0,1,0,0|2,0,0]=3 404 B7R1.3 NN1CCOCC1 28683 [0,0,0,1,0,0|3,0,0]=4 405 B7R1.3 N[C@H]1CCCNC1 51800 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.3 N[C@H]1CCCNC1 51802 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.3 N[C@H]1CCCNC1 51816 [0,0,0,1,0,0|2,0,0]=3 408 B7R1.3 N[C@H]1CCCNC1 D77676 [0,0,0,1,0,0|2,0,0]=3 409 B7R1.3 N[C@H]1CCCOC1 53314 [0,0,0,1,0,0|2,0,0]=3 410 B7R1.3 N[C@H]1CCCOC1 69737 [0,0,0,1,0,0|2,0,0]=3 411 B7R1.3 N[C@H]1CCCOC1 P10539 [0,0,0,1,0,0|2,0,0]=3 412 B7R1.3 O=C1CCCCN1 F10312 [0,0,0,1,0,0|1,0,2]=4 413 B7R1.3 O=C1CCCCO1 20506 [0,0,0,1,0,0|1,0,2]=4 414 B7R1.3 O=C1CCCNC1 36189 [0,0,0,1,0,0|1,0,2]=4 415 B7R1.3 O=C1CCCNC1 65124 [0,0,0,1,0,0|1,0,2]=4 416 B7R1.3 O=C1CCCOC1 67990 [0,0,0,1,0,0|1,0,2]=4 417 B7R1.3 O=C1CCCSC1 38182 [0,0,0,1,0,0|1,0,2]=4 418 B7R1.3 O=C1CCNCC1 AB2978 [0,0,0,1,0,0|1,0,2]=4 419 B7R1.3 O=C1CCNCC1 AB7716 [0,0,0,1,0,0|1,0,2]=4 420 B7R1.3 O=C1CCOCC1 28100 [0,0,0,1,0,0|1,0,2]=4 421 B7R1.3 O=C1CCSCC1 34742 [0,0,0,1,0,0|1,0,2]=4 422 B7R1.3 O=S1CCNCC1 C10519 [0,0,0,1,0,0|2,0,1]=4 423 B7R1.3 OC1CCNCC1 34448 [0,0,0,1,0,0|1,0,0]=2 424 B7R1.3 OC1CCNCC1 67739 [0,0,0,1,0,0|1,0,0]=2 425 B7R1.3 OC1CCOCC1 67293 [0,0,0,1,0,0|1,0,0]=2 426 B7R1.3 OC1CCSCC1 25187 [0,0,0,1,0,0|1,0,0]=2 427 B7R1.3 OC1COCOC1 C10654 [0,0,0,1,0,0|2,0,0]=3 428 B7R1.3 ON1CCCCC1 65654 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.3 O[C@@H]1C=CCCC1 59596 [0,0,0,1,0,0|0,0,2]=3 430 B7R1.3 O[C@@H]1CC=CCC1 D83542 [0,0,0,1,0,0|0,0,2]=3 431 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,0,0,1,0,0|1,0,0]=2 432 B7R1.3 O[C@H]1CCCNC1 29155 [0,0,0,1,0,0|1,0,0]=2 433 B7R1.3 O[C@H]1CCCNC1 29156 [0,0,0,1,0,0|1,0,0]=2 434 B7R1.3 O[C@H]1CCCNC1 29157 [0,0,0,1,0,0|1,0,0]=2 435 B7R1.3 O[C@H]1CCCNC1 37164 [0,0,0,1,0,0|1,0,0]=2 436 B7R1.3 O[C@H]1CCCNC1 67738 [0,0,0,1,0,0|1,0,0]=2 437 B7R1.3 O[C@H]1CCCNC1 P10773 [0,0,0,1,0,0|1,0,0]=2 438 B7R1.3 O[C@H]1CCCOC1 25828 [0,0,0,1,0,0|1,0,0]=2 439 B7R1.4 CC1OCCC1S AT13652 [0,0,0,1,0,0|1,1,0]=3 440 B7R1.4 CN1CCCC1=O D78116 [0,0,0,1,0,0|1,0,2]=4 441 B7R1.4 CN1CCCC1=S F16372 [0,0,0,1,0,0|1,1,1]=4 442 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,0,0,1,0,0|1,0,2]=4 443 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,0,0,1,0,0|1,0,2]=4 444 B7R1.4 C[C@H]1CCCC1=O 29606 [0,0,0,1,0,0|0,0,2]=3 445 B7R1.4 C[C@H]1CCOC1=O D70164 [0,0,0,1,0,0|1,0,2]=4 446 B7R1.4 NC1CCCC1O 25425 [0,0,0,1,0,0|1,0,0]=2 447 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,0,0,1,0,0|1,0,0]=2 448 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,0,0,1,0,0|1,0,0]=2 449 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,0,0,1,0,0|1,0,0]=2 450 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,0,0,1,0,0|1,0,0]=2 451 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,0,0,1,0,0|1,0,0]=2 452 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,0,0,1,0,0|1,0,0]=2 453 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,0,0,1,0,0|2,0,0]=3 454 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [0,0,0,1,0,0|1,0,2]=4 455 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,0,0,1,0,0|2,0,1]=4 456 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,0,0,1,0,0|2,0,1]=4 458 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,0,0,1,0,0|2,0,1]=4 459 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,0,0,1,0,0|2,0,1]=4 460 B7R1.4 OC1CCCC1O 31469 [0,0,0,1,0,0|1,0,0]=2 461 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,0,0,1,0,0|1,0,0]=2 462 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,0,0,1,0,0|1,0,0]=2 463 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,0,0,1,0,0|2,0,0]=3 464 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,0,0,1,0,0|2,0,0]=3 465 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,0,0,1,0,0|2,0,0]=3 466 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,0,0,1,0,0|2,0,0]=3 467 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,0,0,1,0,0|2,0,0]=3 468 B7R1.6 CCOC1CNC1 25335 [0,0,0,1,0,0|3,0,0]=4 469 B7R1.6 COC[C@H]1CCN1 P13481 [0,0,0,1,0,0|2,0,0]=3 470 B7R1.6 COC[C@H]1CCN1 P14494 [0,0,0,1,0,0|2,0,0]=3 471 B7R1.6 NCCN1CCC1 P15319 [0,0,0,1,0,0|3,0,0]=4 472 B7R1.6 NNCC1CCC1 D93648 [0,0,0,1,0,0|3,0,0]=4 473 B7R1.10 CCN1CC(N)C1 P20448 [0,0,0,1,0,0|3,0,0]=4 474 B7R1.10 CCN1CC(O)C1 32510 [0,0,0,1,0,0|3,0,0]=4 475 B7R1.10 CCN1CC(O)C1 P11466 [0,0,0,1,0,0|3,0,0]=4 476 B7R1.10 CN1CC(CO)C1 P15220 [0,0,0,1,0,0|3,0,0]=4 477 B7R1.10 NC1CC(CO)C1 37213 [0,0,0,1,0,0|3,0,0]=4 478 B7R1.10 NC[C@H]1C[C@@H](O)C1 37658 [0,0,0,1,0,0|3,0,0]=4 479 B7R1.10 NC[C@H]1C[C@H](F)C1 38650 [0,0,0,1,0,0|3,0,0]=4 480 B7R1.10 OCC1CC(Cl)C1 38986 [0,0,0,1,0,0|3,0,0]=4 481 B7R1.22 CC[C@H](N)C1CC1 P15918 [0,0,0,1,0,0|1,0,0]=2 482 B7R1.22 CC[C@H](O)C1CC1 P15300 [0,0,0,1,0,0|0,0,0]=1 483 B7R1.22 COC(=O)C1CC1 D78080 [0,0,0,1,0,0|1,0,2]=4 484 B7R1.22 O=C(CBr)C1CC1 28934 [0,0,0,1,0,0|1,0,2]=4 485 B7R1.25 C#CC1(O)COC1 32860 [0,0,0,1,0,0|1,0,2]=4 486 B7R1.25 C=CC1(O)COC1 69112 [0,0,0,1,0,0|1,0,2]=4 487 B7R1.25 CC1(CBr)CCC1 P19189 [0,0,0,1,0,0|2,0,0]=3 488 B7R1.25 CC1(CBr)COC1 35403 [0,0,0,1,0,0|3,0,0]=4 489 B7R1.25 CC1(CCl)COC1 P10201 [0,0,0,1,0,0|3,0,0]=4 490 B7R1.25 CC1(CI)COC1 30624 [0,0,0,1,0,0|3,0,0]=4 491 B7R1.25 CC1(CN)CCC1 38631 [0,0,0,1,0,0|2,0,0]=3 492 B7R1.25 CC1(CN)COC1 66391 [0,0,0,1,0,0|3,0,0]=4 493 B7R1.25 CC1(CO)COC1 59847 [0,0,0,1,0,0|3,0,0]=4 494 B7R1.25 CCC1(N)CCC1 D79212 [0,0,0,1,0,0|1,0,0]=2 495 B7R1.25 CCC1(N)CNC1 P17702 [0,0,0,1,0,0|2,0,0]=3 496 B7R1.25 CCC1(O)CNC1 54091 [0,0,0,1,0,0|1,0,0]=2 497 B7R1.25 COC1(C)CNC1 37157 [0,0,0,1,0,0|3,0,0]=4 498 B7R1.25 N#CC1(N)CCC1 F30101 [0,0,0,1,0,0|2,0,1]=4 499 B7R1.25 NC1(CO)CCC1 37739 [0,0,0,1,0,0|2,0,0]=3 500 B7R1.25 OCC1(F)CNC1 86197 [0,0,0,1,0,0|3,0,0]=4 501 B4R0.1 C#C[C@H](C)O 55689 [2,0,0,0,0,0|0,0,2]=4 502 B4R0.1 C#C[C@H](C)O F17654 [2,0,0,0,0,0|0,0,2]=4 503 B4R0.1 C=C[C@H](C)O W13854 [2,0,0,0,0,0|0,0,2]=4 504 B4R0.1 CC(C)CN D70621 [2,0,0,0,0,0|2,0,0]=4 505 B4R0.1 CCB(O)O 33051 [2,0,0,0,0,0|2,0,0]=4 506 B4R0.1 CC[C@H](C)O 70716 [2,0,0,0,0,0|0,0,0]=2 507 B4R0.1 CC[C@H](C)O 70832 [2,0,0,0,0,0|0,0,0]=2 508 B4R0.1 CNC(C)C 39417 [2,0,0,0,0,0|2,0,0]=4 509 B4R0.1 C[C@H](Cl)CO H11590 [2,0,0,0,0,0|2,0,0]=4 510 B4R0.1 C[C@H](Cl)CO O10168 [2,0,0,0,0,0|2,0,0]=4 511 B4R0.1 C[C@H](N)CN 35106 [2,0,0,0,0,0|2,0,0]=4 512 B4R0.1 C[C@H](N)CN P20461 [2,0,0,0,0,0|2,0,0]=4 513 B4R0.1 C[C@H](N)CO 28476 [2,0,0,0,0,0|2,0,0]=4 514 B4R0.1 C[C@H](N)CO 29970 [2,0,0,0,0,0|2,0,0]=4 515 B4R0.1 C[C@H](N)CO 29971 [2,0,0,0,0,0|2,0,0]=4 516 B4R0.1 C[C@H](O)CCl C10666 [2,0,0,0,0,0|1,0,0]=3 517 B4R0.1 C[C@H](O)CCl D87799 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.1 C[C@H](O)CCl H11611 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.1 C[C@H](O)CN 86259 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.1 C[C@H](O)CN 86301 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.1 C[C@H](O)CN A10592 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.1 C[C@H](O)CO A11633 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.1 C[C@H](O)CO A11634 [2,0,0,0,0,0|1,0,0]=3 524 B4R0.2 C#CCCO 24606 [2,0,0,0,0,0|0,0,2]=4 525 B4R0.2 C=CCCC FD10489 [2,0,0,0,0,0|0,0,2]=4 526 B4R0.2 C=CCCO P16638 [2,0,0,0,0,0|0,0,2]=4 527 B4R0.2 CC#CCO 75486 [2,0,0,0,0,0|0,0,2]=4 528 B4R0.2 CCCNC A10770 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 CCCNN C10870 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.2 CCNCC D78025 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.2 CCNCC D89842 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CCNCC D90318 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.2 CCNOC D80678 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 CCOCCl D89215 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 CNCCBr F13405 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 CNCCCl 71064 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 CNCCN D76853 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 CNCCN SC1801 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 COCCBr P19803 [2,0,0,0,0,0|2,0,0]=4 540 B4R0.2 COCCN F14847 [2,0,0,0,0,0|2,0,0]=4 541 B4R0.2 CSCCBr 79497 [2,0,0,0,0,0|2,0,0]=4 542 B4R0.2 CSCCO 28828 [2,0,0,0,0,0|1,0,0]=3 543 B4R0.2 CSCSC D88765 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 C\C=C/CC D91891 [2,0,0,0,0,0|0,0,2]=4 545 B4R0.2 ClCCCI AC1314 [2,0,0,0,0,0|2,0,0]=4 546 B4R0.2 FCCCI S11237 [2,0,0,0,0,0|2,0,0]=4 547 B4R0.2 ICCCI A10836 [2,0,0,0,0,0|2,0,0]=4 548 B4R0.2 N#CCCO D77638 [2,0,0,0,0,0|1,0,1]=4 549 B4R0.2 NCCCBr AC7868 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.2 NCCCCl D70608 [2,0,0,0,0,0|2,0,0]=4 551 B4R0.2 NCCCO D77871 [2,0,0,0,0,0|1,0,0]=3 552 B4R0.2 NNCCO D77684 [2,0,0,0,0,0|2,0,0]=4 553 B4R0.2 NOCCO 32348 [2,0,0,0,0,0|2,0,0]=4 554 B4R0.2 OCCCBr 36754 [2,0,0,0,0,0|1,0,0]=3 555 B4R0.2 OCCCF 61100 [2,0,0,0,0,0|1,0,0]=3 556 B4R0.2 OCCCI 75858 [2,0,0,0,0,0|1,0,0]=3 557 B4R0.2 SCCCS F20376 [2,0,0,0,0,0|1,1,0]=4 558 B6R0.2 CC(C)CB(O)O 33194 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.2 CC(C)CC(=O)O D78213 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.2 CC(C)C[C@H](C)N 40017 [1,1,0,0,0,0|1,0,0]=3 561 B6R0.2 CC(C)NC(C)C 41183 [1,1,0,0,0,0|2,0,0]=4 562 B6R0.2 CC(C)NC(C)C D89143 [1,1,0,0,0,0|2,0,0]=4 563 B6R0.2 CC(C)NC(C)C D94741 [1,1,0,0,0,0|2,0,0]=4 564 B6R0.2 CC(C)NC(C)C D95064 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.2 CC(O)CC(C)O D91996 [1,1,0,0,0,0|0,0,0]=2 566 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.2 C[C@H](N)CC(=O)O 62356 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.2 C[C@H](N)CC(=O)O 62357 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.2 C[C@H](N)CC(=O)O 62358 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.2 C[C@H](N)CC(=O)O 62359 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.2 C[C@H](N)CC(=O)O 62363 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.2 C[C@H](N)CN(C)C 76719 [1,1,0,0,0,0|2,0,0]=4 573 B6R0.2 C[C@H](O)CC(=O)O D84191 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.2 C[C@H](O)CC(=O)O O10175 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.2 C[C@H](O)CN(C)C D93027 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [1,1,0,0,0,0|0,0,0]=2 579 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [1,1,0,0,0,0|0,0,0]=2 580 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [1,1,0,0,0,0|0,0,0]=2 581 B6R0.3 CC(C)[C@@H](N)CO 23132 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.3 CC(C)[C@@H](N)CO 39407 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.3 CC(C)[C@@H](N)CO A10466 [1,1,0,0,0,0|2,0,0]=4 584 B6R0.3 CCC(=O)[C@H](C)Br T71350 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.3 CCC(O)C(C)O D93064 [1,1,0,0,0,0|0,0,0]=2 586 B6R0.3 CC[C@H](Br)C(=O)O P18633 [1,1,0,0,0,0|1,0,1]=4 587 B6R0.3 CC[C@H](Br)C(=O)O P18634 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.3 CC[C@H](C)B(O)O 33152 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.3 CC[C@H](C)C(=O)O 88657 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.3 CC[C@H](C)C(=O)O 88663 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.3 CC[C@H](N)C(=O)O 11781 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.3 CC[C@H](N)C(=O)O 23105 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.3 CC[C@H](N)C(=O)O 25309 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.3 CC[C@H](N)C(=O)O 80046 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [1,1,0,0,0,0|0,0,0]=2 597 B6R0.3 CC[C@H](O)C(=O)O 24676 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.3 CC[C@H](O)C(=O)O A11368 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.3 CC[C@H](O)C(=O)O D90822 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.3 COC(=O)[C@H](C)O C10549 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.3 COC(=O)[C@H](C)O F11215 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.3 COC(C)C(C)O 78000 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.4 C=C(C)CNCC D95542 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.4 CC(=O)CCCCl D77754 [1,1,0,0,0,0|0,0,2]=4 607 B6R0.4 CC(=O)CCCO 24602 [1,1,0,0,0,0|0,0,2]=4 608 B6R0.4 CC(C)CCCBr O10389 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.4 CC(C)CCCO F20439 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.4 CC(C)NCCCl 20398 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.4 CC(C)NCCO D78491 [1,1,0,0,0,0|2,0,0]=4 612 B6R0.4 CCCCB(O)O 33151 [1,1,0,0,0,0|2,0,0]=4 613 B6R0.4 CCCNC(C)=O D97464 [1,1,0,0,0,0|0,0,2]=4 614 B6R0.4 CCCSC(C)=O D92148 [1,1,0,0,0,0|0,0,2]=4 615 B6R0.4 CCOCC(C)C D93520 [1,1,0,0,0,0|1,0,0]=3 616 B6R0.4 CCSCC(=O)O D95699 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.4 CN(C)CCCBr 25428 [1,1,0,0,0,0|2,0,0]=4 618 B6R0.4 CN(C)CCCCl 23626 [1,1,0,0,0,0|2,0,0]=4 619 B6R0.4 CN(C)CCCCl AC7814 [1,1,0,0,0,0|2,0,0]=4 620 B6R0.4 CN(C)CCCS D93440 [1,1,0,0,0,0|2,0,0]=4 621 B6R0.4 CNCCC(=O)O 29150 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.4 CNCCC(=O)O C76064 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.4 CNCCN(C)C 20029 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.4 CNCCN(C)C 24589 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.4 COCCC(=O)O F14687 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.4 COCCN(C)C A11162 [1,1,0,0,0,0|2,0,0]=4 627 B6R0.4 CSCCC(=O)O D87669 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.4 CSCCC(C)=O D91573 [1,1,0,0,0,0|0,0,2]=4 629 B6R0.4 C[C@H](Br)CCCBr F14613 [1,1,0,0,0,0|1,0,0]=3 630 B6R0.4 C[C@H](O)CCCO 22874 [1,1,0,0,0,0|0,0,0]=2 631 B6R0.4 NCCCC(=O)O D70585 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.4 O=C(O)CCCBr 20498 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.4 O=C(O)CCCCl F19286 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.4 O=C(O)CCCS F20547 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.5 CC(C)(C)CCBr 29514 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.5 CC(C)(C)CCCl D95900 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.5 CC(C)(C)CCO 61808 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.5 CC(C)(N)CCO F13529 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.5 CC(C)(O)CC#N D88032 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.5 CC(C)(O)CCBr RB3141 [1,1,0,0,0,0|1,0,0]=3 641 B6R0.5 CC(C)(S)CCO D91597 [1,1,0,0,0,0|1,1,0]=4 642 B6R0.5 CCCC(C)(C)Cl H10235 [1,1,0,0,0,0|1,0,0]=3 643 B6R0.5 CNCC(C)(C)C D94980 [1,1,0,0,0,0|2,0,0]=4 644 B6R0.5 CNCC(C)(C)C F20240 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.5 CNCC(C)(C)O W12311 [1,1,0,0,0,0|1,0,0]=3 646 B6R0.5 COCC(C)(C)N 28354 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.5 COCC(C)(C)N 32588 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.5 COCC(C)(C)O 67570 [1,1,0,0,0,0|1,0,0]=3 649 B6R0.6 BrCCCCCBr D70772 [1,1,0,0,0,0|1,0,0]=3 650 B6R0.6 BrCCOCCBr 12226 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.6 C#CCCCCO F10490 [1,1,0,0,0,0|0,0,2]=4 652 B6R0.6 C=CCCCCBr F14895 [1,1,0,0,0,0|0,0,2]=4 653 B6R0.6 C=CCCCCCl N11935 [1,1,0,0,0,0|0,0,2]=4 654 B6R0.6 C=CCCCCO 35574 [1,1,0,0,0,0|0,0,2]=4 655 B6R0.6 CCC#CCCO F11743 [1,1,0,0,0,0|0,0,2]=4 656 B6R0.6 CCCC#CCO D90881 [1,1,0,0,0,0|0,0,2]=4 657 B6R0.6 CCCCCCI F20355 [1,1,0,0,0,0|0,0,0]=2 658 B6R0.6 CCCCCCN F19564 [1,1,0,0,0,0|0,0,0]=2 659 B6R0.6 CCCCCNC D91584 [1,1,0,0,0,0|0,0,0]=2 660 B6R0.6 CCCCN=C=S D91107 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.6 CCCNCCC D89745 [1,1,0,0,0,0|0,0,0]=2 662 B6R0.6 CCCNCCO C10761 [1,1,0,0,0,0|1,0,0]=3 663 B6R0.6 CCCOCCCl H10822 [1,1,0,0,0,0|1,0,0]=3 664 B6R0.6 CCC\C=C\CO D78301 [1,1,0,0,0,0|0,0,2]=4 665 B6R0.6 CCNCCCN D82016 [1,1,0,0,0,0|1,0,0]=3 666 B6R0.6 CCNCCCO 31655 [1,1,0,0,0,0|1,0,0]=3 667 B6R0.6 CCNCCOC H11999 [1,1,0,0,0,0|1,0,0]=3 668 B6R0.6 CCOCCCCl D95770 [1,1,0,0,0,0|1,0,0]=3 669 B6R0.6 CCOCCCO D95933 [1,1,0,0,0,0|1,0,0]=3 670 B6R0.6 CC\C=C/CCO 73722 [1,1,0,0,0,0|0,0,2]=4 671 B6R0.6 CNCCCCO F10210 [1,1,0,0,0,0|1,0,0]=3 672 B6R0.6 COCCCCBr F13727 [1,1,0,0,0,0|1,0,0]=3 673 B6R0.6 COCCCCCl 28715 [1,1,0,0,0,0|1,0,0]=3 674 B6R0.6 COCCCCO D78159 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.6 COCCOCCl H11303 [1,1,0,0,0,0|2,0,0]=4 676 B6R0.6 COCOCOC 75328 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,1,0,0,0,0|1,0,0]=3 678 B6R0.6 ClCCCCCBr S10881 [1,1,0,0,0,0|1,0,0]=3 679 B6R0.6 ClCCCCCI A10955 [1,1,0,0,0,0|1,0,0]=3 680 B6R0.6 ClCCNCCCl 97536 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.6 FCCCCCBr 24471 [1,1,0,0,0,0|1,0,0]=3 682 B6R0.6 ICCCCCI P10001 [1,1,0,0,0,0|1,0,0]=3 683 B6R0.6 ICCOCCI C90294 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.6 N#CCCCCCl 28437 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.6 N#CCCCCN S10714 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.6 NCCCCCN D83408 [1,1,0,0,0,0|1,0,0]=3 687 B6R0.6 NCCCCCO I11482 [1,1,0,0,0,0|1,0,0]=3 688 B6R0.6 NCCNCCO D77720 [1,1,0,0,0,0|2,0,0]=4 689 B6R0.6 NCCOCCN 75244 [1,1,0,0,0,0|2,0,0]=4 690 B6R0.6 NCCOCCN 75301 [1,1,0,0,0,0|2,0,0]=4 691 B6R0.6 NCCOCCO C70233 [1,1,0,0,0,0|2,0,0]=4 692 B6R0.6 NCCSCCN FD10524 [1,1,0,0,0,0|2,0,0]=4 693 B6R0.6 O=CCCCCCl C10094 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.6 O=CCCCCO F19841 [1,1,0,0,0,0|1,0,1]=4 695 B6R0.6 OCCCCCBr 23140 [1,1,0,0,0,0|1,0,0]=3 696 B6R0.6 OCCCCCCl O11412 [1,1,0,0,0,0|1,0,0]=3 697 B6R0.6 OCCNCCCl F50591 [1,1,0,0,0,0|2,0,0]=4 698 B6R0.6 OCCNCCO D92250 [1,1,0,0,0,0|2,0,0]=4 699 B6R0.6 OCCOCCBr S10705 [1,1,0,0,0,0|2,0,0]=4 700 B6R0.6 OCCOCCCl D72518 [1,1,0,0,0,0|2,0,0]=4 701 B6R0.6 SCCCCCS D92137 [1,1,0,0,0,0|1,0,0]=3 702 B6R0.6 SCCSCCS D91485 [1,1,0,0,0,0|2,0,0]=4 703 B6R0.8 CC[C@](C)(O)C#N 22165 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.9 CCC(CC)CBr D88873 [1,1,0,0,0,0|1,0,0]=3 705 B6R0.9 CCC(CC)CO D78539 [1,1,0,0,0,0|0,0,0]=2 706 B6R0.9 CCC(CC)NC 30677 [1,1,0,0,0,0|1,0,0]=3 707 B6R0.9 CCC(CC)NN AB9880 [1,1,0,0,0,0|1,0,0]=3 708 B6R0.9 CCC(CO)CO AB3752 [1,1,0,0,0,0|1,0,0]=3 709 B6R0.9 CCN(C=O)CC A10832 [1,1,0,0,0,0|1,0,1]=4 710 B6R0.9 CCN(CC)CC D78014 [1,1,0,0,0,0|2,0,0]=4 711 B6R0.9 CCN(CC)CC D92579 [1,1,0,0,0,0|2,0,0]=4 712 B6R0.9 CCN(CC)CC D94937 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.9 CCN(CC)N=O F14922 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.9 CCP(CC)CC D94529 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.9 CC[O+](CC)CC 67663 [1,1,0,0,0,0|2,0,0]=4 716 B6R0.9 CC[SiH](CC)CC S12352 [1,1,0,0,0,0|1,1,0]=4 717 B6R0.9 COC(CBr)OC P16529 [1,1,0,0,0,0|2,0,0]=4 718 B6R0.9 COC(CN)OC D72504 [1,1,0,0,0,0|2,0,0]=4 719 B6R0.9 COC(CO)OC 36713 [1,1,0,0,0,0|2,0,0]=4 720 B6R0.9 OCC(CO)CO 59936 [1,1,0,0,0,0|2,0,0]=4 721 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [0,2,0,0,0,0|0,0,2]=4 722 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [0,2,0,0,0,0|0,0,2]=4 723 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [0,2,0,0,0,0|0,0,2]=4 724 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [0,2,0,0,0,0|0,0,2]=4 725 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [0,2,0,0,0,0|0,0,2]=4 726 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [0,2,0,0,0,0|0,0,2]=4 727 B8R0.16 CCN(CC)C[C@H](C)O S11919 [0,2,0,0,0,0|2,0,0]=4 728 B8R0.16 CC[C@H](CO)CC(C)C A10715 [0,2,0,0,0,0|0,0,0]=2 729 B8R0.16 COC(CC(C)=O)OC D72464 [0,2,0,0,0,0|1,0,1]=4 730 B8R0.16 COC(CN(C)C)OC A10208 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.16 COC(C[C@H](C)O)OC AC1866 [0,2,0,0,0,0|1,0,0]=3 732 B8R0.19 CCC(=O)CC(=O)CC O11824 [0,2,0,0,0,0|0,0,2]=4 733 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.24 C[N+](C)(C)C[C@H](O)CCl D72484 [0,2,0,0,0,0|2,0,0]=4 737 B8R0.24 C[N+](C)(C)C[C@H](O)CO F16434 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.34 C#C[C@@](C)(O)CC(C)C E70314 [0,2,0,0,0,0|0,0,2]=4 739 B8R0.34 CC[C@](C)(O)CC(=O)O D90920 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.1 CCOC(=O)CCCBr F11167 [0,2,0,0,0,0|0,0,2]=4 741 B8R0.1 CCOC(=O)CCCI 74907 [0,2,0,0,0,0|0,0,2]=4 742 B8R0.1 CCOC(=O)CCCN 20516 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.1 CCOC(=O)CCNC 30981 [0,2,0,0,0,0|0,0,2]=4 744 B8R0.1 CCOC(=O)CCOC D91424 [0,2,0,0,0,0|0,0,2]=4 745 B8R0.1 CCOC(=O)CCSC D90571 [0,2,0,0,0,0|0,0,2]=4 746 B8R0.1 CCOCC(=O)OCC D81905 [0,2,0,0,0,0|0,0,2]=4 747 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [0,2,0,0,0,0|1,0,1]=4 750 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [0,2,0,0,0,0|0,0,2]=4 751 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [0,2,0,0,0,0|0,0,2]=4 752 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [0,2,0,0,0,0|0,0,2]=4 753 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [0,2,0,0,0,0|0,0,2]=4 754 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 44130 [0,2,0,0,0,0|1,0,1]=4 755 B8R0.6 C=C[C@@H](O)CCCCC D91822 [0,2,0,0,0,0|0,0,2]=4 756 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,2,0,0,0,0|0,0,0]=2 757 B8R0.6 CCCCNC(=O)CC D88679 [0,2,0,0,0,0|0,0,2]=4 758 B8R0.6 NCCCC[C@H](N)CO F52525 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.6 OCCCC[C@H](O)CO 75130 [0,2,0,0,0,0|1,0,0]=3 760 B8R0.8 CCCCC(=O)C(C)C D91376 [0,2,0,0,0,0|0,0,2]=4 761 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,2,0,0,0,0|0,0,2]=4 762 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.9 CC(=O)OC[C@H](O)CCl CS1164 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,2,0,0,0,0|0,0,2]=4 766 B8R0.11 CCCCN(CC)CC D94767 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.11 CCCC[C@H](CC)CBr D77662 [0,2,0,0,0,0|1,0,0]=3 768 B8R0.11 CCCC[C@H](CC)CCl D89423 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.11 CCCC[C@H](CC)CN D90440 [0,2,0,0,0,0|1,0,0]=3 770 B8R0.11 CCCC[C@H](CC)CO D72516 [0,2,0,0,0,0|0,0,0]=2 771 B8R0.11 CCCC[C@H](CC)CS D90586 [0,2,0,0,0,0|0,1,0]=3 772 B8R0.11 CCN(CC)CCCCl F20381 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.11 CCN(CC)CCCO F11356 [0,2,0,0,0,0|2,0,0]=4 774 B8R0.11 CCN(CC)CCNC D89828 [0,2,0,0,0,0|2,0,0]=4 775 B8R0.11 COC(CCC#N)OC 33131 [0,2,0,0,0,0|1,0,1]=4 776 B8R0.11 COC(CCCCl)OC 40304 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.11 COC(CCCN)OC D77943 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.25 CC(C)(CO)CCC[NH3+] D86481 [0,2,0,0,0,0|2,0,0]=4 779 B8R0.22 C#CC(OCC)OCC 22834 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.22 C=CC(OCC)OCC F20955 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.22 CCCC(C#N)CCC F19469 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.22 CCCN(C=O)CCC D70355 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.22 CCCN(CCC)N=O D91709 [0,2,0,0,0,0|1,0,1]=4 784 B8R0.22 CCC[C@@H](CCO)SC D91575 [0,2,0,0,0,0|0,1,0]=3 785 B8R0.22 CCOC(C#N)OCC 21047 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.22 CCOC(CBr)OCC 67695 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.22 CCOC(CC)OCC D97857 [0,2,0,0,0,0|1,0,0]=3 788 B8R0.22 CCOC(CCl)OCC D78201 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.22 CCOC(CN)OCC F11269 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.22 CCOC(CO)OCC 28344 [0,2,0,0,0,0|1,0,0]=3 791 B8R0.30 CCCS(=O)(=O)CCC D89800 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.30 CCOP(=O)(O)OCC F15034 [0,2,0,0,0,0|2,0,0]=4 793 B8R0.31 CCCC(C)(CO)CO D97667 [0,2,0,0,0,0|1,0,0]=3 794 B6R1.2 Br[C@H]1CCNC1 23535 [1,0,0,1,0,0|2,0,0]=4 795 B6R1.2 Br[C@H]1CCOC1 25079 [1,0,0,1,0,0|2,0,0]=4 796 B6R1.2 CC1=NCCC1 35340 [1,0,0,1,0,0|1,0,1]=4 797 B6R1.2 CC1=NCCO1 F16112 [1,0,0,1,0,0|1,0,1]=4 798 B6R1.2 CN1CCCC1 D78045 [1,0,0,1,0,0|2,0,0]=4 799 B6R1.2 C[C@H]1CCCN1 11755 [1,0,0,1,0,0|1,0,0]=3 800 B6R1.2 C[C@H]1CCCN1 23331 [1,0,0,1,0,0|1,0,0]=3 801 B6R1.2 C[C@H]1CCCN1 64834 [1,0,0,1,0,0|1,0,0]=3 802 B6R1.2 C[C@H]1CCCN1 64835 [1,0,0,1,0,0|1,0,0]=3 803 B6R1.2 C[C@H]1CCCN1 64836 [1,0,0,1,0,0|1,0,0]=3 804 B6R1.2 C[C@H]1CCCS1 TD8134 [1,0,0,1,0,0|0,1,0]=3 805 B6R1.2 C[C@H]1CCNC1 69325 [1,0,0,1,0,0|2,0,0]=4 806 B6R1.2 C[C@H]1CCNC1 69329 [1,0,0,1,0,0|2,0,0]=4 807 B6R1.2 C[C@H]1CCOC1 F16704 [1,0,0,1,0,0|2,0,0]=4 808 B6R1.2 C[S+]1CCCC1 AC8164 [1,0,0,1,0,0|2,0,0]=4 809 B6R1.2 F[C@H]1CCNC1 26948 [1,0,0,1,0,0|2,0,0]=4 810 B6R1.2 F[C@H]1CCNC1 37160 [1,0,0,1,0,0|2,0,0]=4 811 B6R1.2 F[C@H]1CCNC1 83419 [1,0,0,1,0,0|2,0,0]=4 812 B6R1.2 IC1CCCC1 P10039 [1,0,0,1,0,0|1,0,0]=3 813 B6R1.2 I[C@H]1CCOC1 82009 [1,0,0,1,0,0|2,0,0]=4 814 B6R1.2 NC1CCCC1 22312 [1,0,0,1,0,0|1,0,0]=3 815 B6R1.2 N[C@H]1CCNC1 41400 [1,0,0,1,0,0|2,0,0]=4 816 B6R1.2 N[C@H]1CCNC1 52206 [1,0,0,1,0,0|2,0,0]=4 817 B6R1.2 N[C@H]1CCNC1 70366 [1,0,0,1,0,0|2,0,0]=4 818 B6R1.2 N[C@H]1CCNC1 N12040 [1,0,0,1,0,0|2,0,0]=4 819 B6R1.2 N[C@H]1CCNC1 S10941 [1,0,0,1,0,0|2,0,0]=4 820 B6R1.2 N[C@H]1CCNC1 T70189 [1,0,0,1,0,0|2,0,0]=4 821 B6R1.2 N[C@H]1CCOC1 24756 [1,0,0,1,0,0|2,0,0]=4 822 B6R1.2 N[C@H]1CCOC1 29281 [1,0,0,1,0,0|2,0,0]=4 823 B6R1.2 N[C@H]1CCOC1 37020 [1,0,0,1,0,0|2,0,0]=4 824 B6R1.2 N[C@H]1CCOC1 37021 [1,0,0,1,0,0|2,0,0]=4 825 B6R1.2 N[C@H]1CCOC1 53315 [1,0,0,1,0,0|2,0,0]=4 826 B6R1.2 N[C@H]1CCOC1 SC1299 [1,0,0,1,0,0|2,0,0]=4 827 B6R1.2 O=S1CCCC1 D92307 [1,0,0,1,0,0|1,0,1]=4 828 B6R1.2 OC1CC=CC1 68362 [1,0,0,1,0,0|0,0,2]=4 829 B6R1.2 O[C@@H]1CCCO1 31275 [1,0,0,1,0,0|1,0,0]=3 830 B6R1.2 O[C@H]1CCNC1 29173 [1,0,0,1,0,0|1,0,0]=3 831 B6R1.2 O[C@H]1CCNC1 29174 [1,0,0,1,0,0|1,0,0]=3 832 B6R1.2 O[C@H]1CCNC1 29175 [1,0,0,1,0,0|1,0,0]=3 833 B6R1.2 O[C@H]1CCNC1 38203 [1,0,0,1,0,0|1,0,0]=3 834 B6R1.2 O[C@H]1CCNC1 62968 [1,0,0,1,0,0|1,0,0]=3 835 B6R1.2 O[C@H]1CCNC1 62970 [1,0,0,1,0,0|1,0,0]=3 836 B6R1.2 O[C@H]1CCOC1 37369 [1,0,0,1,0,0|1,0,0]=3 837 B6R1.2 O[C@H]1CCOC1 66692 [1,0,0,1,0,0|1,0,0]=3 838 B6R1.2 O[C@H]1CCOC1 66694 [1,0,0,1,0,0|1,0,0]=3 839 B6R1.2 O[C@H]1CCSC1 W10543 [1,0,0,1,0,0|1,0,0]=3 840 B6R1.2 O[C@H]1CNOC1 31853 [1,0,0,1,0,0|2,0,0]=4 841 B6R1.2 SC1CCCC1 D89300 [1,0,0,1,0,0|0,1,0]=3 842 B6R1.3 BrCC[C@H]1CO1 30763 [1,0,0,1,0,0|1,0,0]=3 843 B6R1.3 CCNC1CC1 AC2514 [1,0,0,1,0,0|2,0,0]=4 844 B6R1.3 CCNC1CC1 F20037 [1,0,0,1,0,0|2,0,0]=4 845 B6R1.3 CNCC1CC1 71893 [1,0,0,1,0,0|2,0,0]=4 846 B6R1.3 COC[C@H]1CO1 D90741 [1,0,0,1,0,0|1,0,0]=3 847 B6R1.3 COC[C@H]1CO1 D90742 [1,0,0,1,0,0|1,0,0]=3 848 B6R1.3 COC[C@H]1CO1 F11173 [1,0,0,1,0,0|1,0,0]=3 849 B6R1.3 NCCC1CC1 38310 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.3 NCCC1CC1 AB6939 [1,0,0,1,0,0|2,0,0]=4 851 B6R1.3 OCCC1CC1 35626 [1,0,0,1,0,0|2,0,0]=4 852 B6R1.5 CN1CC(N)C1 55423 [1,0,0,1,0,0|2,0,0]=4 853 B6R1.5 NC1CC(O)C1 36119 [1,0,0,1,0,0|1,0,0]=3 854 B6R1.5 NC1CC(O)C1 37220 [1,0,0,1,0,0|1,0,0]=3 855 B6R1.5 N[C@H]1C[C@@H](O)C1 39165 [1,0,0,1,0,0|1,0,0]=3 856 B6R1.5 N[C@H]1C[C@H](Br)C1 D96555 [1,0,0,1,0,0|2,0,0]=4 857 B6R1.5 N[C@H]1C[C@H](N)C1 38582 [1,0,0,1,0,0|2,0,0]=4 858 B6R1.5 N[C@H]1C[C@H](O)C1 39166 [1,0,0,1,0,0|1,0,0]=3 859 B6R1.10 CC1(C)CNC1 61820 [1,0,0,1,0,0|2,0,0]=4 860 B6R1.10 CC1(N)CNC1 37384 [1,0,0,1,0,0|2,0,0]=4 861 B6R1.10 CC1(N)COC1 36209 [1,0,0,1,0,0|2,0,0]=4 862 B6R1.10 CC1(O)CNC1 54090 [1,0,0,1,0,0|1,0,0]=3 863 B6R1.10 CC1(O)COC1 69106 [1,0,0,1,0,0|1,0,0]=3 864 B6R1.11 CC(=O)C1CC1 79965 [1,0,0,1,0,0|0,0,2]=4 865 B6R1.11 C[C@H](N)C1CC1 30876 [1,0,0,1,0,0|1,0,0]=3 866 B6R1.11 C[C@H](N)C1CC1 71703 [1,0,0,1,0,0|1,0,0]=3 867 B6R1.11 C[C@H](N)C1CC1 72740 [1,0,0,1,0,0|1,0,0]=3 868 B6R1.11 C[C@H](N)C1CC1 F11381 [1,0,0,1,0,0|1,0,0]=3 869 B6R1.11 C[C@H](O)C1CC1 W10546 [1,0,0,1,0,0|0,0,0]=2 870 B6R1.11 O=C(O)C1CC1 44496 [1,0,0,1,0,0|1,0,1]=4 871 B6R1.11 OB(O)C1CC1 68356 [1,0,0,1,0,0|2,0,0]=4 872 B6R1.1 C1CCNCC1 D77674 [1,0,0,1,0,0|1,0,0]=3 873 B6R1.1 C1CCNNC1 AB2862 [1,0,0,1,0,0|2,0,0]=4 874 B6R1.1 C1CCONC1 72394 [1,0,0,1,0,0|2,0,0]=4 875 B6R1.1 C1CCSCC1 D78391 [1,0,0,1,0,0|1,0,0]=3 876 B6R1.1 C1CNCCN1 D97840 [1,0,0,1,0,0|2,0,0]=4 877 B6R1.1 C1COCCN1 D70343 [1,0,0,1,0,0|2,0,0]=4 878 B6R1.1 C1COCCN1 D95446 [1,0,0,1,0,0|2,0,0]=4 879 B6R1.1 C1COCCN1 F14226 [1,0,0,1,0,0|2,0,0]=4 880 B6R1.1 C1CSCCN1 P10015 [1,0,0,1,0,0|2,0,0]=4 881 B6R1.1 C1CSCCO1 D87969 [1,0,0,1,0,0|2,0,0]=4 882 B6R1.1 C1CSCSC1 S10678 [1,0,0,1,0,0|2,0,0]=4 883 B6R1.6 BrCC1CCC1 55311 [1,0,0,1,0,0|1,0,0]=3 884 B6R1.6 BrCC1COC1 P12750 [1,0,0,1,0,0|2,0,0]=4 885 B6R1.6 CNC1CNC1 37853 [1,0,0,1,0,0|2,0,0]=4 886 B6R1.6 CNC1COC1 32882 [1,0,0,1,0,0|2,0,0]=4 887 B6R1.6 COC1CNC1 34638 [1,0,0,1,0,0|2,0,0]=4 888 B6R1.6 COC1CNC1 63504 [1,0,0,1,0,0|2,0,0]=4 889 B6R1.6 ClCC1COC1 29833 [1,0,0,1,0,0|2,0,0]=4 890 B6R1.6 ICC1CCC1 P15852 [1,0,0,1,0,0|1,0,0]=3 891 B6R1.6 ICC1COC1 80847 [1,0,0,1,0,0|2,0,0]=4 892 B6R1.6 IC[C@H]1CCO1 30641 [1,0,0,1,0,0|2,0,0]=4 893 B6R1.6 N#CC1CCC1 82484 [1,0,0,1,0,0|1,0,1]=4 894 B6R1.6 NCC1CCC1 33345 [1,0,0,1,0,0|1,0,0]=3 895 B6R1.6 NCC1CCC1 35685 [1,0,0,1,0,0|1,0,0]=3 896 B6R1.6 NCC1COC1 66389 [1,0,0,1,0,0|2,0,0]=4 897 B6R1.6 NCC1COC1 F14274 [1,0,0,1,0,0|2,0,0]=4 898 B6R1.6 NC[C@H]1CCO1 32892 [1,0,0,1,0,0|2,0,0]=4 899 B6R1.6 O=CC1CCC1 83143 [1,0,0,1,0,0|1,0,1]=4 900 B6R1.6 OCC1CCC1 24520 [1,0,0,1,0,0|1,0,0]=3 901 B6R1.6 OCC1CNC1 SC3671 [1,0,0,1,0,0|2,0,0]=4 902 B6R1.6 OCC1COC1 81312 [1,0,0,1,0,0|2,0,0]=4 903 B6R1.7 CC1(CO)CC1 71010 [1,0,0,1,0,0|2,0,0]=4 904 B6R1.7 CCC1(N)CC1 P15302 [1,0,0,1,0,0|1,0,0]=3 905 B6R1.7 CCC1(O)CC1 P20221 [1,0,0,1,0,0|0,0,0]=2 906 B6R1.7 NC1(CO)CC1 80110 [1,0,0,1,0,0|2,0,0]=4 907 B6R1.7 NCC1(O)CC1 27319 [1,0,0,1,0,0|1,0,0]=3 908 B8R1.1 CCN1CC[C@H](Cl)C1 D82602 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.1 CCN1CC[C@H](N)C1 P17207 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.1 CCN1CC[C@H](O)C1 F13254 [0,1,0,1,0,0|0,0,0]=2 911 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,1,0,1,0,0|0,0,1]=3 912 B8R1.1 CN1CC[C@H](CBr)C1 D95610 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.1 CN1CC[C@H](CN)C1 37193 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.1 CN1CC[C@H](CO)C1 71688 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.1 CN[C@H]1CCN(C)C1 P12574 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,1,0,1,0,0|1,0,1]=4 917 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,1,0,1,0,0|1,0,1]=4 918 B8R1.1 OC[C@@H]1C[C@H](F)CN1 72275 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [0,1,0,1,0,0|1,0,0]=3 922 B8R1.4 CC1CC(O)CCO1 32162 [0,1,0,1,0,0|0,0,0]=2 923 B8R1.4 CC1CCCC(C)N1 F10355 [0,1,0,1,0,0|1,0,0]=3 924 B8R1.4 CC1CCCC(N)C1 33432 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.4 CC1CNCC(C)C1 D77718 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.4 CC1CNCC(C)N1 H11174 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.4 CC1CNCC(C)N1 P15326 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.4 CC1COCC(C)N1 70362 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.4 CN1CCCC(=O)C1 25967 [0,1,0,1,0,0|0,0,2]=4 930 B8R1.4 CN1CCC[C@H](Br)C1 AC1745 [0,1,0,1,0,0|1,0,0]=3 931 B8R1.4 CN1CCC[C@H](N)C1 37172 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.4 CN1CCC[C@H](N)C1 37173 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.4 CN1CCC[C@H](O)C1 37176 [0,1,0,1,0,0|0,0,0]=2 934 B8R1.4 CN1CCC[C@H](O)C1 37177 [0,1,0,1,0,0|0,0,0]=2 935 B8R1.4 CN1CCC[C@H](O)C1 37178 [0,1,0,1,0,0|0,0,0]=2 936 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,1,0,1,0,0|0,0,2]=4 937 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,1,0,1,0,0|0,0,2]=4 938 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,1,0,1,0,0|0,0,2]=4 939 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,1,0,1,0,0|0,0,2]=4 940 B8R1.4 C[C@H]1CNC[C@@H](C)N1 P10485 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.4 C[C@H]1CNC[C@@H](C)O1 70460 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.4 C[C@H]1CNC[C@H](C)O1 77574 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,1,0,1,0,0|0,0,0]=2 944 B8R1.4 NC1CCCC(N)C1 F14870 [0,1,0,1,0,0|1,0,0]=3 945 B8R1.4 NC1CCCC(O)C1 20373 [0,1,0,1,0,0|0,0,0]=2 946 B8R1.4 NC1CCCC(O)C1 51096 [0,1,0,1,0,0|0,0,0]=2 947 B8R1.4 N[C@H]1CCC[C@@H](N)C1 T70691 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,1,0,1,0,0|1,0,1]=4 949 B8R1.4 OC1CCCC(O)C1 F17088 [0,1,0,1,0,0|0,0,0]=2 950 B8R1.51 C[C@H]1CCS(=O)(=O)C1 F14688 [0,1,0,1,0,0|1,0,1]=4 951 B8R1.2 BrCC1CCCCC1 81459 [0,1,0,1,0,0|1,0,0]=3 952 B8R1.2 BrCC1CCNCC1 54450 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.2 BrCC1CCOCC1 54616 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.2 C#CC1CCCCC1 F16297 [0,1,0,1,0,0|1,0,0]=3 955 B8R1.2 C=CC1CCCCC1 D92778 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.2 CCN1CCNCC1 P17082 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.2 CC[C@H]1COCCN1 F13094 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.2 CC[C@H]1COCCN1 F17622 [0,1,0,1,0,0|1,0,0]=3 960 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.2 CNC1CCOCC1 32360 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.2 CNC1CCOCC1 AB1551 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.2 CN[C@H]1CCCNC1 33739 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.2 COC1CCNCC1 29503 [0,1,0,1,0,0|1,0,0]=3 965 B8R1.2 COC1CCNCC1 30319 [0,1,0,1,0,0|1,0,0]=3 966 B8R1.2 CO[C@H]1CCCNC1 32736 [0,1,0,1,0,0|1,0,0]=3 967 B8R1.2 CO[C@H]1CCCNC1 32744 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.2 CO[C@H]1CCCNC1 37169 [0,1,0,1,0,0|1,0,0]=3 969 B8R1.2 CO[C@H]1CCCNC1 37171 [0,1,0,1,0,0|1,0,0]=3 970 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.2 ClC[C@H]1CNCCO1 50754 [0,1,0,1,0,0|1,0,0]=3 972 B8R1.2 ICC1CCOCC1 62810 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.2 N#CC1CCCCC1 F14026 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.2 N#CC1CCCCN1 37817 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.2 N#CC1CCNCC1 50765 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.2 N#CC1CCNCC1 83447 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.2 N#CC1CCOCC1 AB2989 [0,1,0,1,0,0|2,0,0]=4 978 B8R1.2 N#C[C@H]1CCCNC1 82699 [0,1,0,1,0,0|2,0,0]=4 979 B8R1.2 N#C[C@H]1CCCNC1 83525 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.2 NCC1CCCCC1 FD10556 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.2 NCC1CCNCC1 20503 [0,1,0,1,0,0|2,0,0]=4 982 B8R1.2 NCC1CCOCC1 51888 [0,1,0,1,0,0|2,0,0]=4 983 B8R1.2 NCC1CCOCC1 AB1593 [0,1,0,1,0,0|2,0,0]=4 984 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,1,0,1,0,0|2,0,0]=4 985 B8R1.2 NC[C@H]1CCCCO1 29695 [0,1,0,1,0,0|1,0,0]=3 986 B8R1.2 NC[C@H]1CCCNC1 51408 [0,1,0,1,0,0|2,0,0]=4 987 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,1,0,1,0,0|2,0,0]=4 988 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,1,0,1,0,0|1,0,0]=3 989 B8R1.2 NC[C@H]1CNCCO1 30960 [0,1,0,1,0,0|1,0,0]=3 990 B8R1.2 NC[C@H]1COCCO1 P10401 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.2 NNC1CCCCC1 74084 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.2 NNC1CCCCC1 BL010400 [0,1,0,1,0,0|1,0,0]=3 993 B8R1.2 NNC1CCOCC1 20334 [0,1,0,1,0,0|2,0,0]=4 994 B8R1.2 NNC1CCOCC1 BL010345 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.2 O=CC1CCCCC1 39466 [0,1,0,1,0,0|0,0,1]=3 997 B8R1.2 O=CC1CCOCC1 61400 [0,1,0,1,0,0|1,0,1]=4 998 B8R1.2 O=CC1CCSCC1 29959 [0,1,0,1,0,0|1,0,1]=4 999 B8R1.2 O=NN1CCCCC1 D92816 [0,1,0,1,0,0|1,0,1]=4 1000 B8R1.2 OCC1CCCCC1 73723 [0,1,0,1,0,0|0,0,0]=2 1001 B8R1.2 OCC1CCNCC1 25838 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.2 OCC1CCOCC1 66550 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.2 OCC1CCSCC1 30719 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [0,1,0,1,0,0|0,0,2]=4 1005 B8R1.2 OC[C@H]1CCC=CO1 60150 [0,1,0,1,0,0|1,0,1]=4 1006 B8R1.2 OC[C@H]1CCCCN1 23778 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.2 OC[C@H]1CCCCN1 25116 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.2 OC[C@H]1CCCCN1 39317 [0,1,0,1,0,0|1,0,0]=3 1009 B8R1.2 OC[C@H]1CCCCN1 69389 [0,1,0,1,0,0|1,0,0]=3 1010 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.2 OC[C@H]1CCCNC1 20066 [0,1,0,1,0,0|1,0,0]=3 1012 B8R1.2 OC[C@H]1CCCNC1 25088 [0,1,0,1,0,0|1,0,0]=3 1013 B8R1.2 OC[C@H]1CCCNC1 32724 [0,1,0,1,0,0|1,0,0]=3 1014 B8R1.2 OC[C@H]1CNCCN1 I11548 [0,1,0,1,0,0|2,0,0]=4 1015 B8R1.2 OC[C@H]1CNCCO1 AB7650 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.2 OC[C@H]1CNCCO1 S11136 [0,1,0,1,0,0|1,0,0]=3 1017 B8R1.2 OC[C@H]1CNCCO1 SC3861 [0,1,0,1,0,0|1,0,0]=3 1018 B8R1.2 OC[C@H]1COCCN1 25766 [0,1,0,1,0,0|2,0,0]=4 1019 B8R1.2 OC[C@H]1COCCN1 26437 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.2 OC[C@H]1COCCN1 62952 [0,1,0,1,0,0|2,0,0]=4 1021 B8R1.2 OC[C@H]1COCCO1 AC1016 [0,1,0,1,0,0|1,0,0]=3 1022 B8R1.2 ON=C1CCOCC1 H10065 [0,1,0,1,0,0|1,0,1]=4 1023 B8R1.2 ON=C1CCSCC1 F15694 [0,1,0,1,0,0|1,0,1]=4 1024 B8R1.2 ONC1CCCCC1 77599 [0,1,0,1,0,0|0,0,0]=2 1025 B8R1.2 ONC1CCCCC1 77600 [0,1,0,1,0,0|0,0,0]=2 1026 B8R1.3 CC1CCC(=O)CC1 P20542 [0,1,0,1,0,0|0,0,2]=4 1027 B8R1.3 CN1CCC(=O)CC1 67677 [0,1,0,1,0,0|0,0,2]=4 1028 B8R1.3 CN1CCC(Br)CC1 P10148 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.3 CN1CCC(Cl)CC1 67721 [0,1,0,1,0,0|1,0,0]=3 1030 B8R1.3 CN1CCC(Cl)CC1 A10292 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.3 CN1CCC(N)CC1 67755 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.3 CN1CCC(N)CC1 D82382 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.3 CN1CCC(O)CC1 67617 [0,1,0,1,0,0|0,0,0]=2 1034 B8R1.3 CN1CCN(N)CC1 67724 [0,1,0,1,0,0|2,0,0]=4 1035 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,1,0,1,0,0|1,0,0]=3 1036 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,1,0,1,0,0|1,0,0]=3 1037 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,1,0,1,0,0|1,0,0]=3 1038 B8R1.3 C[C@H]1CN[C@H](C)CN1 55797 [0,1,0,1,0,0|2,0,0]=4 1039 B8R1.3 NC1CCC(=O)CC1 24439 [0,1,0,1,0,0|0,0,2]=4 1040 B8R1.3 NC1CCC(I)CC1 D82897 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.3 NC1CCC(N)CC1 D83402 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.3 NC1CCC(O)CC1 H11365 [0,1,0,1,0,0|0,0,0]=2 1043 B8R1.3 NN1CCC(O)CC1 I11452 [0,1,0,1,0,0|1,0,0]=3 1044 B8R1.3 N[C@H]1CC[C@@H](N)CC1 D89460 [0,1,0,1,0,0|1,0,0]=3 1045 B8R1.3 N[C@H]1CC[C@@H](O)CC1 51986 [0,1,0,1,0,0|0,0,0]=2 1046 B8R1.3 N[C@H]1CC[C@@H](O)CC1 F14021 [0,1,0,1,0,0|0,0,0]=2 1047 B8R1.3 N[C@H]1CC[C@H](N)CC1 I11239 [0,1,0,1,0,0|1,0,0]=3 1048 B8R1.3 N[C@H]1CC[C@H](O)CC1 O12153 [0,1,0,1,0,0|0,0,0]=2 1049 B8R1.3 N[C@H]1CC[C@H](O)CC1 P16830 [0,1,0,1,0,0|0,0,0]=2 1050 B8R1.3 O=C1CCC(O)CC1 24546 [0,1,0,1,0,0|0,0,1]=3 1051 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,1,0,1,0,0|1,0,1]=4 1052 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,1,0,1,0,0|1,0,1]=4 1053 B8R1.3 OC1CCC(O)CC1 TD8009 [0,1,0,1,0,0|0,0,0]=2 1054 B8R1.3 OC1COC(O)CO1 38689 [0,1,0,1,0,0|2,0,0]=4 1055 B8R1.3 OC1CSC(O)CS1 D71095 [0,1,0,1,0,0|2,0,0]=4 1056 B8R1.3 O[C@H]1CC[C@@H](O)CC1 P10063 [0,1,0,1,0,0|0,0,0]=2 1057 B8R1.3 O[C@H]1CC[C@H](O)CC1 74160 [0,1,0,1,0,0|0,0,0]=2 1058 B8R1.5 BrC1CCCCC1Br 23806 [0,1,0,1,0,0|1,0,0]=3 1059 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [0,1,0,1,0,0|1,0,0]=3 1060 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,1,0,1,0,0|1,0,0]=3 1061 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,1,0,1,0,0|1,0,0]=3 1062 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,1,0,1,0,0|0,0,2]=4 1063 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,1,0,1,0,0|0,0,2]=4 1064 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,1,0,1,0,0|0,0,2]=4 1065 B8R1.5 C[C@H]1CNCCN1C 38274 [0,1,0,1,0,0|2,0,0]=4 1066 B8R1.5 C[C@H]1CNCCN1C P11797 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.5 FC1CCCCC1Br T71186 [0,1,0,1,0,0|1,0,0]=3 1068 B8R1.5 NC1CCCCC1O AB10042 [0,1,0,1,0,0|0,0,0]=2 1069 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,1,0,1,0,0|0,0,0]=2 1070 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,1,0,1,0,0|0,0,0]=2 1071 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,1,0,1,0,0|0,0,0]=2 1072 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,1,0,1,0,0|1,0,0]=3 1073 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,1,0,1,0,0|1,0,0]=3 1074 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,1,0,1,0,0|1,0,0]=3 1075 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,1,0,1,0,0|0,0,0]=2 1076 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,1,0,1,0,0|0,0,0]=2 1077 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,1,0,1,0,0|0,0,0]=2 1078 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,1,0,1,0,0|0,0,0]=2 1079 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,1,0,1,0,0|0,0,0]=2 1080 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,1,0,1,0,0|0,0,0]=2 1081 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,1,0,1,0,0|1,0,0]=3 1082 B8R1.5 N[C@H]1COCC[C@@H]1O 38320 [0,1,0,1,0,0|1,0,0]=3 1083 B8R1.5 N[C@H]1COCC[C@@H]1O 39243 [0,1,0,1,0,0|1,0,0]=3 1084 B8R1.5 N[C@H]1COCC[C@@H]1O P19738 [0,1,0,1,0,0|1,0,0]=3 1085 B8R1.5 N[C@H]1COCC[C@@H]1O W11754 [0,1,0,1,0,0|1,0,0]=3 1086 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,1,0,1,0,0|0,0,2]=4 1087 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,1,0,1,0,0|0,0,2]=4 1088 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,1,0,1,0,0|0,0,2]=4 1089 B8R1.5 OC1CCCCC1Cl D71128 [0,1,0,1,0,0|0,0,0]=2 1090 B8R1.5 OC1CCCCC1O FD9018 [0,1,0,1,0,0|0,0,0]=2 1091 B8R1.5 OC1OCCOC1O 77851 [0,1,0,1,0,0|2,0,0]=4 1092 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [0,1,0,1,0,0|0,0,0]=2 1093 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [0,1,0,1,0,0|0,0,0]=2 1094 B8R1.5 O[C@H]1CNCC[C@@H]1F 37697 [0,1,0,1,0,0|1,0,0]=3 1095 B8R1.10 CCCOC1CNC1 28518 [0,1,0,1,0,0|2,0,0]=4 1096 B8R1.22 CN1CCCNCC1 63976 [0,1,0,1,0,0|2,0,0]=4 1097 B8R1.22 C[C@H]1CCCNCC1 72644 [0,1,0,1,0,0|1,0,0]=3 1098 B8R1.22 ClC1CCCCCC1 D81846 [0,1,0,1,0,0|1,0,0]=3 1099 B8R1.22 NC1CCCCCC1 F19821 [0,1,0,1,0,0|1,0,0]=3 1100 B8R1.22 N[C@H]1CCCCNC1 51061 [0,1,0,1,0,0|1,0,0]=3 1101 B8R1.22 N[C@H]1CCCCNC1 51996 [0,1,0,1,0,0|1,0,0]=3 1102 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,1,0,1,0,0|1,0,0]=3 1103 B8R1.22 O=C1CCCCCN1 D70254 [0,1,0,1,0,0|0,0,2]=4 1104 B8R1.22 O=C1CCCCCO1 D70255 [0,1,0,1,0,0|0,0,2]=4 1105 B8R1.22 O=C1CCCNCC1 VT1100 [0,1,0,1,0,0|0,0,2]=4 1106 B8R1.22 OC1CCCCCC1 D89285 [0,1,0,1,0,0|0,0,0]=2 1107 B8R1.22 O[C@H]1CCCNCC1 36657 [0,1,0,1,0,0|0,0,0]=2 1108 B8R1.22 O[C@H]1CCCNCC1 62252 [0,1,0,1,0,0|0,0,0]=2 1109 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,1,0,1,0,0|1,0,1]=4 1110 B8R1.52 CCC1(O)CCCC1 AC8353 [0,1,0,1,0,0|0,0,0]=2 1111 B8R1.52 CC[N+]1(C)CCCC1 D90580 [0,1,0,1,0,0|2,0,0]=4 1112 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [0,1,0,1,0,0|2,0,0]=4 1113 B8R1.52 C[C@]1(CO)CCCN1 38939 [0,1,0,1,0,0|2,0,0]=4 1114 B8R1.52 N#CC1(O)CCCC1 74861 [0,1,0,1,0,0|1,0,1]=4 1115 B8R1.52 NC1(CO)CCCC1 29439 [0,1,0,1,0,0|2,0,0]=4 1116 B8R1.52 NCC1(O)CCCC1 24513 [0,1,0,1,0,0|1,0,0]=3 1117 B8R1.7 CC(=O)C1CCCC1 83754 [0,1,0,1,0,0|1,0,1]=4 1118 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [0,1,0,1,0,0|1,0,0]=3 1119 B8R1.7 C[C@H](N)C1CCCC1 83753 [0,1,0,1,0,0|1,0,0]=3 1120 B8R1.7 C[C@H](O)C1CCCC1 W16248 [0,1,0,1,0,0|1,0,0]=3 1121 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [0,1,0,1,0,0|1,0,1]=4 1122 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [0,1,0,1,0,0|1,0,1]=4 1123 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [0,1,0,1,0,0|1,0,1]=4 1124 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.19 CC1(C)CCCC1=O F16056 [0,1,0,1,0,0|0,0,2]=4 1126 B8R1.19 CC1(C)CCC[C@@H]1O D79629 [0,1,0,1,0,0|0,0,0]=2 1127 B8R1.37 CCOC(=N)C1CC1 AC2329 [0,1,0,1,0,0|1,0,1]=4 1128 B8R1.37 CCOC(=O)C1CC1 FD10459 [0,1,0,1,0,0|0,0,2]=4 1129 B8R1.78 C[C@H](O)C1(C)COC1 D79148 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.6 COC[C@H]1C[C@@H](N)C1 P16184 [0,1,0,1,0,0|2,0,0]=4 1131 B8R1.8 BrCCC1OCCO1 79535 [0,1,0,1,0,0|1,0,0]=3 1132 B8R1.8 BrCCN1CCCC1 54542 [0,1,0,1,0,0|2,0,0]=4 1133 B8R1.8 CCCC1=NCCN1 D92082 [0,1,0,1,0,0|1,0,1]=4 1134 B8R1.8 CCO[C@H]1CCNC1 31293 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,1,0,1,0,0|1,0,0]=3 1136 B8R1.8 CNC[C@H]1CCOC1 P16261 [0,1,0,1,0,0|1,0,0]=3 1137 B8R1.8 COC[C@H]1CCCN1 11150 [0,1,0,1,0,0|1,0,0]=3 1138 B8R1.8 ClCCN1CCCC1 27886 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.8 N#CCC1CCCC1 97394 [0,1,0,1,0,0|1,0,1]=4 1140 B8R1.8 NCCC1CCCC1 23538 [0,1,0,1,0,0|1,0,0]=3 1141 B8R1.8 NCCN1CCCC1 AC1468 [0,1,0,1,0,0|2,0,0]=4 1142 B8R1.8 OCCC1CCCC1 P10032 [0,1,0,1,0,0|1,0,0]=3 1143 B8R1.8 OCCN1CCCC1 F14228 [0,1,0,1,0,0|2,0,0]=4 1144 B8R1.8 OCC[C@H]1CCNC1 38792 [0,1,0,1,0,0|2,0,0]=4 1145 B8R1.11 CCN1CCCC1=O A10865 [0,1,0,1,0,0|0,0,2]=4 1146 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,1,0,1,0,0|0,0,1]=3 1147 B8R1.11 CN1CCC[C@@H]1CN C74098 [0,1,0,1,0,0|2,0,0]=4 1148 B8R1.11 CN1CCC[C@@H]1CN D82178 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.11 CN1CCC[C@@H]1CO 33737 [0,1,0,1,0,0|1,0,0]=3 1150 B8R1.11 CN1CCC[C@@H]1CO 33738 [0,1,0,1,0,0|1,0,0]=3 1151 B8R1.11 CN1CCC[C@@H]1CO 34380 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.66 CNCC1(C)COC1 32796 [0,1,0,1,0,0|2,0,0]=4 1153 B8R1.12 OCC1CCC1CO P19699 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.39 COC(=O)C1(O)CC1 TD8151 [0,1,0,1,0,0|1,0,1]=4 1155 B8R1.72 CC1(C)CCCNC1 52404 [0,1,0,1,0,0|2,0,0]=4 1156 B8R1.72 CC1(C)CCNCC1 61353 [0,1,0,1,0,0|2,0,0]=4 1157 B8R1.72 CC1(C)CCNCC1 AC8379 [0,1,0,1,0,0|2,0,0]=4 1158 B8R1.72 CC1(N)CCCCC1 71329 [0,1,0,1,0,0|1,0,0]=3 1159 B8R1.72 CC1(N)CCOCC1 SC1105 [0,1,0,1,0,0|2,0,0]=4 1160 B8R1.72 CC1(O)CCCCC1 FD14069 [0,1,0,1,0,0|0,0,0]=2 1161 B8R1.72 CC1(O)CCNCC1 37038 [0,1,0,1,0,0|1,0,0]=3 1162 B8R1.72 CC1(O)CCNCC1 88644 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.72 C[N+]1(C)CCCCC1 A51057 [0,1,0,1,0,0|2,0,0]=4 1164 B8R1.72 Cl[Si]1(Cl)CCCCC1 C11274 [0,1,0,1,0,0|1,1,0]=4 1165 B8R1.72 FC1(F)CCCNC1 50285 [0,1,0,1,0,0|2,0,0]=4 1166 B8R1.72 FC1(F)CCNCC1 24529 [0,1,0,1,0,0|2,0,0]=4 1167 B8R1.72 OC1(O)CCNCC1 67884 [0,1,0,1,0,0|1,0,0]=3 1168 B8R1.60 CCC1(C=O)COC1 32890 [0,1,0,1,0,0|1,0,1]=4 1169 B8R1.60 CCC1(CO)COC1 P16441 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.60 NCC1(CO)CCC1 38630 [0,1,0,1,0,0|1,0,0]=3 1171 B8R1.60 NCC1(CO)COC1 26934 [0,1,0,1,0,0|2,0,0]=4 1172 B8R1.60 NCC1(CO)COC1 P15273 [0,1,0,1,0,0|2,0,0]=4 1173 B8R1.60 OCC1(CBr)COC1 35404 [0,1,0,1,0,0|2,0,0]=4 1174 B8R1.60 OCC1(CO)CCC1 74082 [0,1,0,1,0,0|1,0,0]=3 1175 B8R1.60 OCC1(CO)COC1 32787 [0,1,0,1,0,0|2,0,0]=4 1176 B8R2.34 C1CC2CCC1N2 25913 [0,0,0,2,0,0|1,0,0]=3 1177 B8R2.34 C1NC2CNC1C2 F18855 [0,0,0,2,0,0|2,0,0]=4 1178 B8R2.34 C1N[C@@H]2CN[C@H]1C2 D90097 [0,0,0,2,0,0|2,0,0]=4 1179 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F18872 [0,0,0,2,0,0|2,0,0]=4 1180 B8R2.34 C1O[C@@H]2CN[C@H]1C2 81400 [0,0,0,2,0,0|1,0,0]=3 1181 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P10179 [0,0,0,2,0,0|1,0,0]=3 1182 B8R2.18 NC1CC2CC2C1 38235 [0,0,0,2,0,0|1,0,0]=3 1183 B8R2.18 OC1CC2CC2C1 80097 [0,0,0,2,0,0|0,0,0]=2 1184 B8R2.18 OC1C[C@@H]2C[C@@H]2C1 68368 [0,0,0,2,0,0|0,0,0]=2 1185 B8R2.38 OC1CCC2CC12 P20622 [0,0,0,2,0,0|0,0,0]=2 1186 B8R2.25 C1CC2OC2CO1 P11116 [0,0,0,2,0,0|1,0,0]=3 1187 B8R2.42 C1CC2(C1)CNC2 37212 [0,0,0,2,0,0|2,0,0]=4