0 B7R0.7 CCC[C@H](Br)CCBr D94373 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.7 CCC[C@H](N)CCO AT20461 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.7 CCC[C@H](N)CCO I11080 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.7 CCC[C@H](N)CCO N12794 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.7 CN(CCO)CCO A10780 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.7 COC[C@@H](N)CCO AT12992 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.12 CCCC(CO)CO AB7729 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.12 CCN(CCO)N=O T71710 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.12 CCN[C@@H](CC)CO 29377 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.15 CCCC(CCC)C(=O)O C76453 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.15 CCCC(CCC)C(N)=O A12328 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.17 OCCN(CCCl)CCCl F51434 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.2 CCN1CCN[C@@H](C)C1 Y13520 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,0,0,1,0,0|1,1,0]=3 14 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.7 COC[C@@H]1C[C@H](O)CN1 P20748 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 BrCCC1CCNCC1 AC8208 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.8 BrCCC1CCOCC1 56518 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.8 BrCCN1CCCCC1 O10261 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.8 BrCCN1CCCCO1 72888 [0,0,0,1,0,0|2,1,0]=4 23 B9R1.8 CCCN1CCOCC1 A12323 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.8 CNCC1CCCCC1 F20557 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 CNCC1CCNCC1 28113 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.8 COC[C@H]1CCCCN1 39467 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.8 COC[C@H]1CCCCN1 71896 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.8 ClCCC1CCNCC1 AC3007 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.8 N#CCC1CCOCC1 H10074 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.8 NCCC1CCCCC1 24486 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.8 NCCC1CCCCC1 55664 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.8 NCCC1CCOCC1 71435 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.8 NCCC1CCSCC1 AC3550 [0,0,0,1,0,0|2,1,0]=4 34 B9R1.8 NCCN1CCCCO1 72735 [0,0,0,1,0,0|2,1,0]=4 35 B9R1.8 NNCC1CCOCC1 P12620 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.8 O=CCC1CCCCC1 11388 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.8 OCCC1CCOCC1 62381 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.8 OCCN1CCSCC1 O10852 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,0,0,1,0,0|1,1,0]=3 45 B9R1.33 CN1CCC[C@@H]1CCN P10542 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,0,0,1,0,0|1,0,0]=2 47 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.33 CNC[C@H]1CCCN1C D82894 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.33 CNC[C@H]1CCCN1C P16259 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.89 CCN1CCCNCC1 I11453 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,0,0,1,0,0|1,1,0]=3 54 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,0,0,1,0,0|1,1,0]=3 55 B9R1.89 N#CC1CCCCCC1 F53544 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.89 NNC1CCCCCC1 AB1363 [0,0,0,1,0,0|3,0,0]=4 58 B6R0.1 CCC[C@@H](Br)CC D78429 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.1 CCC[C@H](N)CO C13482 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.1 CCO[C@@H](C)CO 91003 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.1 CC[C@H](S)CCO D84734 [2,0,0,0,0,0|0,0,0]=2 62 B6R0.1 NCC[C@H](O)CO F51073 [2,0,0,0,0,0|1,1,0]=4 63 B6R0.1 N[C@H](CO)CCO AB10026 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 N[C@H](CO)CCO AB10027 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.6 CC#CCCCO W16152 [2,0,0,0,0,0|0,0,2]=4 66 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.6 OCCOCCF AT25497 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.9 CCC(C#N)CC AC1599 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.9 CC[C@@H](CN)CO Y13480 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.9 CO[C@@H](CN)CO P20679 [2,0,0,0,0,0|1,1,0]=4 75 B8R0.1 CCCC(=O)OCCO D81566 [1,1,0,0,0,0|0,1,1]=4 76 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|0,0,0]=2 77 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|0,0,0]=2 78 B8R0.1 COCCN(C)CCO F18234 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.31 CCC(O)(CC)COC 73811 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.31 CCC[C@](N)(C#N)CC D84556 [1,1,0,0,0,0|2,0,0]=4 86 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.88 CCC[C@@H](CCCO)C(=O)[O-] D93751 [0,2,0,0,0,0|2,0,0]=4 89 B8R1.4 CC1CC(N)CCO1 D78849 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.4 CC1CC(N)CCO1 P16002 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.4 CC1CC(O)CCN1 33466 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.4 CC1CC(O)CCN1 P17258 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.4 CC1CNCC(O)C1 AC5056 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.4 CN1CCC[C@H](N)C1 37174 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.4 CN1CCC[C@H](N)C1 37175 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.4 CN1CCC[C@H](N)C1 F13528 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 CN1CCC[C@H](N)C1 P12011 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|0,1,1]=4 101 B8R1.4 C[C@H]1CN(C)CCN1 32818 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 NC1COCC(O)C1 91463 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [1,0,0,1,0,0|0,1,0]=3 116 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [1,0,0,1,0,0|0,1,0]=3 117 B8R1.6 CCCC1CC(=O)C1 D96728 [1,0,0,1,0,0|0,0,2]=4 118 B8R1.6 CCOC1CC(N)C1 P13631 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.6 CN1CC(CCN)C1 33440 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.6 CN1CC(CCO)C1 37197 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.6 COCC1CC(N)C1 P11795 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.6 COCC1CC(N)C1 P18332 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.6 COC[C@H]1C[C@H](N)C1 D79066 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.6 NCCN1CC(O)C1 AC3487 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.6 OCCN1CC(F)C1 D79128 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,0]=3 128 B8R1.8 CCN[C@H]1CCNC1 T72394 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.8 COC[C@H]1CCNC1 72010 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.8 COC[C@H]1CCNC1 P10622 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.8 COC[C@H]1CCNC1 P12588 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.8 COC[C@H]1CCNC1 P15249 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.8 COC[C@H]1CCNC1 P15255 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.8 NNCC1CCCC1 P11240 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|0,0,2]=4 139 B8R1.8 OCCC1OCCO1 W16263 [1,0,0,1,0,0|1,1,0]=4 140 B8R1.8 OCC[C@H]1CCCN1 50275 [1,0,0,1,0,0|1,0,0]=3 141 B8R1.8 OCC[C@H]1CCCN1 62964 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.11 CN1CCC[C@@H]1CBr N13118 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.11 CN1CCC[C@@H]1CCl D83790 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.11 CN1CCC[C@@H]1CN 39178 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.11 NCC1CCCC1N F20645 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.11 O=C1CCC[C@@H]1CO C73905 [1,0,0,1,0,0|0,1,1]=4 148 B8R1.11 OCC1CNCC1O 73097 [1,0,0,1,0,0|1,1,0]=4 149 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.22 C[C@H]1CCNCCN1 70847 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.22 N[C@H]1CCCNCC1 36658 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|0,1,1]=4 157 B8R1.66 NC1(CCO)CCC1 F51938 [1,0,0,1,0,0|1,0,0]=3 158 B8R1.66 NC1(CCO)COC1 39014 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.66 NC1(CCO)COC1 P19108 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.66 OCCC1(O)CCC1 F30304 [1,0,0,1,0,0|0,1,0]=3 161 B8R1.66 OCCC1(O)COC1 P18341 [1,0,0,1,0,0|1,1,0]=4 162 B8R1.1 CN1CC[C@H](CO)C1 22985 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 CN1CC[C@H](CO)C1 37309 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.1 COC1CCC(N)C1 33463 [1,0,0,1,0,0|1,1,0]=4 166 B8R1.1 COC1CCC(O)C1 P19125 [1,0,0,1,0,0|0,1,0]=3 167 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [1,0,0,1,0,0|1,1,0]=4 168 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [1,0,0,1,0,0|1,1,0]=4 169 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 N#CC1CCC(O)C1 W19383 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.1 NCC1CCC(O)C1 72949 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 C#CC1CCOCC1 37550 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.2 CC[C@H]1CNCCN1 28366 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.2 CC[C@H]1CNCCN1 I11833 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.2 CC[C@H]1COCCN1 F17630 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.2 CC[C@H]1COCCN1 FD6008 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.2 CNC1CCNCC1 Y10435 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.2 CNC1CCSCC1 D93432 [1,0,0,1,0,0|1,1,0]=4 187 B8R1.2 ClCC1CCOCC1 C77585 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.2 ClC[C@H]1CCCCN1 87776 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.2 IC[C@H]1CCCCO1 P19885 [1,0,0,1,0,0|1,1,0]=4 191 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.2 NNC1CCOCC1 F51905 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.2 NN[C@H]1CCCOC1 P17922 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.2 OC[C@H]1CCCNC1 36372 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.2 OC[C@H]1CNCCN1 C14871 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.2 OC[C@H]1CNCCN1 I11571 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.2 OC[C@H]1CNCCO1 25692 [1,0,0,1,0,0|1,1,0]=4 203 B8R1.2 OC[C@H]1CNCCO1 SC3851 [1,0,0,1,0,0|1,1,0]=4 204 B8R1.2 OC[C@H]1COCCN1 25689 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 OC[C@H]1COCCN1 26203 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.2 OC[C@H]1COCCN1 P15853 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.2 OC[C@H]1COCCO1 Y10090 [1,0,0,1,0,0|1,1,0]=4 208 B8R1.2 OC[C@H]1COCCO1 Y10091 [1,0,0,1,0,0|1,1,0]=4 209 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.60 COC1(CO)CNC1 P20649 [1,0,0,1,0,0|1,1,0]=4 212 B8R1.60 COC1(CO)COC1 P17512 [1,0,0,1,0,0|1,1,0]=4 213 B8R1.82 COC1(CCN)CC1 P18937 [1,0,0,1,0,0|1,1,0]=4 214 B8R1.82 N#CC1(CCO)CC1 F30354 [1,0,0,1,0,0|2,0,0]=4 215 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,1,0,0|1,0,1]=4 218 B10R1.149 CC(CN)C1CCCN1C P15936 [0,1,0,1,0,0|2,0,0]=4 219 B10R1.10 CN1CCC[C@H](CCN)C1 P11330 [0,1,0,1,0,0|2,0,0]=4 220 B10R1.10 CN1CCC[C@H](CCO)C1 P11620 [0,1,0,1,0,0|1,0,0]=3 221 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.18 OB(O)CC1CCCCC1 W17229 [0,1,0,1,0,0|2,0,0]=4 223 B10R1.171 CC1(C)C[C@@H](C=O)CCO1 65982 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.171 CC1(C)C[C@@H](CBr)CCO1 54910 [0,1,0,1,0,0|2,0,0]=4 225 B10R1.171 CC1(C)C[C@@H](CN)CCO1 52507 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.171 CC1(C)C[C@@H](CN)CCO1 65984 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.227 COC1(CC(=O)O)CCC1 72953 [0,1,0,1,0,0|0,1,1]=4 228 B10R1.113 CN(C)C1CCCC(N)C1 T71430 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.1 CN1CCC(CCN)CC1 30445 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,1,0,1,0,0|1,0,0]=3 236 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,1,0,1,0,0|1,0,0]=3 239 B10R1.17 BrCCCN1CCOCC1 N10280 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.17 BrCCOC1CCCCC1 C77571 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.17 CCCCC1CCNCC1 25962 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.17 COCCC1CCNCC1 38531 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.17 COCC[C@H]1CCCCN1 C71587 [0,1,0,1,0,0|1,0,0]=3 244 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.17 OCCNC1CCOCC1 D97603 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.17 OCCOC1CCNCC1 C77513 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.17 OCCOC1CCOCC1 W16008 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.172 CCN1CCC[C@H](CO)C1 F52823 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.433 COCCC1(CO)CCC1 P17713 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.377 NCCC1(O)CCCCC1 D96646 [0,1,0,1,0,0|2,0,0]=4 252 B10R2.62 OC1CC2CCC1NC2 37779 [0,0,0,2,0,0|2,0,0]=4 253 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,0,0,2,0,0|1,0,0]=3 254 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 P16198 [0,0,0,2,0,0|2,0,0]=4 255 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 P16217 [0,0,0,2,0,0|2,0,0]=4 256 B10R2.99 OCC1CC2C=CC1C2 F16263 [0,0,0,2,0,0|1,0,1]=4 257 B10R2.99 OC[C@@H]1C[C@H]2CC[C@@H]1O2 D79702 [0,0,0,2,0,0|2,0,0]=4 258 B10R2.99 OC[C@H]1C[C@H]2CC[C@@H]1O2 D79703 [0,0,0,2,0,0|2,0,0]=4 259 B10R2.408 C1CC2CCCC(C1)N2 38672 [0,0,0,2,0,0|2,0,0]=4 260 B10R2.534 N[C@H]1CCCC2(CC2)C1 P17890 [0,0,0,2,0,0|2,0,0]=4 261 B10R2.160 OCC1C2CNCC1C2 P15876 [0,0,0,2,0,0|2,0,0]=4 262 B10R2.32 O[C@@H]1CO[C@@H]2OCC[C@H]12 O10090 [0,0,0,2,0,0|1,1,0]=4 263 B10R2.32 O[C@H]1CCN2CCC[C@@H]12 69975 [0,0,0,2,0,0|2,0,0]=4 264 B10R2.32 O[C@H]1CC[C@H]2CNC[C@@H]12 P15472 [0,0,0,2,0,0|2,0,0]=4 265 B10R2.63 NC1CC2CC(O)C1C2 P15428 [0,0,0,2,0,0|2,0,0]=4 266 B10R2.332 C[C@@H]1CNC2(CCC2)C1 84578 [0,0,0,2,0,0|2,0,0]=4 267 B10R2.332 O[C@H]1CCC2(CNC2)C1 P14276 [0,0,0,2,0,0|2,0,0]=4 268 B10R2.1 N[C@H]1CC12CCOCC2 AT12432 [0,0,0,2,0,0|2,0,0]=4 269 B10R2.6 C1CC(C2CC2)CCN1 59830 [0,0,0,2,0,0|2,0,0]=4 270 B10R2.7 C1CCN2CCC[C@H]2C1 64826 [0,0,0,2,0,0|2,0,0]=4 271 B10R2.484 C1CC2(C1)CCNCC2 51825 [0,0,0,2,0,0|2,0,0]=4 272 B10R2.484 C1CC2(CCN1)CCO2 32873 [0,0,0,2,0,0|2,0,0]=4 273 B10R2.484 C1CC2(CCO1)CNC2 87263 [0,0,0,2,0,0|2,0,0]=4 274 B10R2.484 C1CC2(CCO1)CNC2 CS1497 [0,0,0,2,0,0|2,0,0]=4 275 B10R2.484 C1CC2(CCOCC2)N1 P11714 [0,0,0,2,0,0|2,0,0]=4 276 B10R2.484 C1CNCC2(C1)CCO2 38557 [0,0,0,2,0,0|2,0,0]=4