0 B6R0.6 BrCCCCCBr AK134932 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCNCCBr AK-72773 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C(CCO)CCBr AK-72934 [0,0,0,0,0,0|1,1,0]=2 3 B6R0.6 C=CCCCCBr AK-48086 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCCNCCO AK-60790 [0,0,0,0,0,0|1,1,0]=2 5 B6R0.6 C\C=C\CCCO AK-46431 [0,0,0,0,0,0|0,1,2]=3 6 B6R0.6 ClCCCCC=O AK110863 [0,0,0,0,0,0|1,1,1]=3 7 B6R0.6 ClCCNCCCl AK-44109 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 ClCCOCCO AK114565 [0,0,0,0,0,0|2,1,0]=3 9 B6R0.6 FCCCCCBr AK-48229 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 O=CCCCCO AK-40206 [0,0,0,0,0,0|1,1,1]=3 11 B6R0.6 OCCCCNC AK112657 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.2 BrCCCC#N AK110352 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C(CCN)CN AK-46742 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 C=CCCCO AK325629 [1,0,0,0,0,0|0,1,2]=4 15 B5R0.2 CNOCCN AK155896 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 ClCCCCBr AK105174 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 ICCCCCl AK116716 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 ICCCCI AK112667 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 N#CCCNC AK116969 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 N#CCCOC AK-46138 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 NCCCCBr AK-51681 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.2 NOCCCC AK-85835 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 OCCCCN AK-58038 [1,0,0,0,0,0|1,1,0]=3 24 B5R0.2 OCCCNC AK112615 [1,0,0,0,0,0|1,1,0]=3 25 B7R0.1 BrCCCCCC#N AK-81731 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.1 BrCCNCCCN AK-32244 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.1 C(CCCBr)CCBr AK-48407 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.1 C(CCCCC#C)O AK-30082 [0,1,0,0,0,0|0,1,1]=3 29 B7R0.1 C=CCCCCCBr AK-40908 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.1 C=CCCCCNC AK142907 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.1 COCCOCCN AK-67670 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.1 ICCCCCCI AK165087 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.1 NCCCCCCN AK129024 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.1 NCCCNCCO AK-50569 [0,1,0,0,0,0|1,1,0]=3 35 B7R0.1 NCCSSCCN AK-47593 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.1 NCC[Se][Se]CCN AK327611 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.1 OCCCCCCBr AK110830 [0,1,0,0,0,0|0,1,0]=2 38 B7R0.1 OCCCCCCCl AK-47999 [0,1,0,0,0,0|0,1,0]=2 39 B7R0.1 OCCCCCCN AK-84482 [0,1,0,0,0,0|0,1,0]=2 40 B7R0.3 CCCCC(NN)=O AK114657 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.3 CCCCC(O)CO AK161793 [0,1,0,0,0,0|0,1,0]=2 42 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,1,0,0,0,0|1,1,0]=3 43 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.4 CC(O)CNCCO AK142435 [0,1,0,0,0,0|1,1,0]=3 45 B7R0.4 CC(OCCCCl)=O AK167628 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.4 CCCCCB(O)O AK-46118 [0,1,0,0,0,0|1,1,0]=3 47 B7R0.4 CN(C)CCCC#N AK-59094 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.4 COCCCC(O)=O AK-76729 [0,1,0,0,0,0|1,1,1]=4 49 B7R0.4 NC(OCCCC)=O AK116656 [0,1,0,0,0,0|1,1,1]=4 50 B7R0.4 O=C(O)CCCCBr AK113954 [0,1,0,0,0,0|1,1,1]=4 51 B7R0.4 O=C(O)CCCCCl AK139351 [0,1,0,0,0,0|1,1,1]=4 52 B7R0.4 O=C(O)CCCCO AK198817 [0,1,0,0,0,0|1,1,1]=4 53 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.7 C(OC)C(O)COC AK-46679 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.7 NC(COC)COC AK-79017 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 BrCC1CCCC1 AK-88361 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.1 BrCC1CCOC1 AK-51697 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.1 BrCC1OCCO1 AK110803 [0,0,0,1,0,0|2,1,0]=4 62 B7R1.1 C(C1CCCC1)O AK-46653 [0,0,0,1,0,0|0,1,0]=2 63 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.1 CNC1COCC1 AK-48592 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.1 COC1=NCCC1 AK-49858 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 COC1CNCC1 AK-33180 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 CSC1=NCCS1 AK-33966 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 N#CC1CCNC1 AK-85980 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 N#C[C@@H]1CNCC1 AK171889 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 NCC1CCCC1 AK-27938 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.1 NCC1CCOC1 AK-33831 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.1 NCC1COCC1 AK-50648 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.1 NCC1NCCC1 AK-26146 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.1 NNC1CCCC1 AK-44319 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.1 OCC1CC=CC1 AK-48070 [0,0,0,1,0,0|0,1,2]=4 80 B7R1.1 OCC1CCCN1 AK-40306 [0,0,0,1,0,0|1,1,0]=3 81 B7R1.1 OCC1CNCC1 AK-26048 [0,0,0,1,0,0|1,1,0]=3 82 B7R1.1 OCC1CNCC1 AK-38963 [0,0,0,1,0,0|1,1,0]=3 83 B7R1.1 OCC1CNCC1 AK105115 [0,0,0,1,0,0|1,1,0]=3 84 B7R1.1 OCC1COCC1 AK-51698 [0,0,0,1,0,0|1,1,0]=3 85 B7R1.1 OCC1OCCC1 AK106959 [0,0,0,1,0,0|1,1,0]=3 86 B7R1.1 OCC1OCCO1 AK159792 [0,0,0,1,0,0|2,1,0]=4 87 B7R1.1 OCC1OCOC1 AK112875 [0,0,0,1,0,0|2,1,0]=4 88 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,0,0,1,0,0|1,1,0]=3 89 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,0,0,1,0,0|1,1,0]=3 90 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,0,0,1,0,0|1,1,0]=3 91 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,0,0,1,0,0|1,1,0]=3 92 B7R1.1 OC[C@H]1COCC1 AK129134 [0,0,0,1,0,0|1,1,0]=3 93 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,0,0,1,0,0|1,1,0]=3 94 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.3 BrC1CCNCC1 AK-47522 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 BrC1CCOCC1 AK-29943 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,1,0,0|1,1,1]=4 98 B7R1.3 C1C(CCOC1)N AK-25779 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,1,0,0|1,1,0]=3 100 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,1,0,0|1,1,0]=3 101 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,1,0,0|1,1,0]=3 104 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,1,0,0|1,1,0]=3 108 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 ClC1CCNCC1 AK-26089 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.3 IC1CCOCC1 AK-29944 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 NC1CCSCC1 AK-77885 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.3 NN1CCCCC1 AK109255 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,1,0,0|1,1,0]=3 124 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,1,0,0|1,1,1]=4 125 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,1,0,0|1,1,1]=4 126 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,1,0,0|1,1,1]=4 127 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,1,0,0|1,1,1]=4 128 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,1,0,0|1,1,1]=4 129 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,1,0,0|1,1,1]=4 130 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,1,0,0|1,1,1]=4 131 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,1,0,0|1,1,0]=3 132 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,1,0,0|1,1,0]=3 133 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,1,0,0|2,1,0]=4 134 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,1,0,0|1,1,0]=3 135 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,1,0,0|1,1,0]=3 136 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|1,1,1]=4 137 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,0,0,1,0,0|1,1,0]=3 138 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,0,0,1,0,0|1,1,0]=3 139 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,0,0,1,0,0|1,1,0]=3 140 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,0,0,1,0,0|1,1,0]=3 141 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.4 OC1C(N)CCC1 AK-50447 [0,0,0,1,0,0|1,1,0]=3 144 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,0,0,1,0,0|1,1,0]=3 145 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,0,0,1,0,0|2,1,0]=4 146 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,0,0,1,0,0|2,1,0]=4 147 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,0,0,1,0,0|2,1,0]=4 148 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,0,0,1,0,0|1,1,0]=3 149 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.6 CCOC1CNC1 AK-71516 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.6 CCOC1CNC1 AK-92383 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.6 COCC1CNC1 AK-40838 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.6 OCCN1CCC1 AK116274 [0,0,0,1,0,0|1,1,0]=3 154 B7R1.7 BrCC#CC1CC1 AK187661 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.24 C1CNCCNC1 AK-29321 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.24 O1CCNCCC1 AK-81388 [0,0,0,1,0,0|1,1,0]=3 157 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 C(Br)CCN AK-73071 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.2 ICCCI AK126057 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 NCCCCl AK164441 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 OCCCBr AK-77055 [2,0,0,0,0,0|1,1,0]=4 164 B6R0.1 CCC[C@H](N)CO AK-81386 [1,1,0,0,0,0|0,1,0]=3 165 B6R0.1 OCC(O)CNC AK-68394 [1,1,0,0,0,0|1,1,0]=4 166 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CCCCB(O)O AK-44016 [1,1,0,0,0,0|1,1,0]=4 170 B6R0.4 CCCCC([O-])=O AK163205 [1,1,0,0,0,0|0,1,1]=4 171 B6R0.4 CN(C)CCCBr AK-35747 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.4 CN(C)CCCCl AK-25287 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.4 CN(C)CCCCl AK113440 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 CN(CCNC)C AK-64867 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.1 CCOC(=O)CCCI AK102411 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.1 CCOC(=O)CCCN AK-47111 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.4 BrCCCCCCCBr AK109234 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.4 C(CCCCO)CCBr AK-41195 [0,2,0,0,0,0|0,1,0]=3 180 B8R0.4 C=CCCCCCCCl AK164503 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.4 OCCCCCCC#C AK-48557 [0,2,0,0,0,0|0,1,0]=3 182 B8R0.4 OCCCCCCCO AK-44723 [0,2,0,0,0,0|0,1,0]=3 183 B8R0.4 OCCCNCCCO AK-33226 [0,2,0,0,0,0|0,1,0]=3 184 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.6 C=CC(CCCCC)=O AK164478 [0,2,0,0,0,0|0,1,1]=4 186 B8R0.6 C=CC(O)CCCCC AK164470 [0,2,0,0,0,0|0,1,0]=3 187 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.6 O=C(OC)CCCCN AK112995 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,2,0,0,0,0|0,1,0]=3 190 B8R0.7 CC(O)CCCCCC AK113715 [0,2,0,0,0,0|0,1,0]=3 191 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,2,0,0,0,0|0,1,0]=3 192 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,2,0,0,0,0|0,1,1]=4 193 B8R0.7 O=C(O)CCCCCN AK144762 [0,2,0,0,0,0|0,1,1]=4 194 B8R0.7 O=C(O)CCCCCO AK-41893 [0,2,0,0,0,0|0,1,1]=4 195 B8R0.7 O=C([O-])CCCCCO AK142914 [0,2,0,0,0,0|0,1,1]=4 196 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,2,0,0,0,0|0,1,1]=4 197 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,2,0,0,0,0|1,0,1]=4 198 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,2,0,0,0,0|0,1,1]=4 199 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,2,0,0,0,0|0,1,1]=4 200 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,2,0,0,0,0|0,1,1]=4 202 B8R0.11 CCN(CC)CCCCl AK160539 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.11 COC(OC)CCCCl AK106086 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.11 OCCCN(CC)CC AK163232 [0,2,0,0,0,0|1,1,0]=4 205 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,2,0,0,0,0|0,1,1]=4 206 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [0,2,0,0,0,0|1,1,0]=4 207 B8R0.22 O=CN(CCC)CCC AK325108 [0,2,0,0,0,0|2,0,0]=4 208 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.1 C1CSCCN1 AK110355 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.1 N1CCOCC1 AK116221 [1,0,0,1,0,0|1,1,0]=4 211 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,1,0,0|1,1,0]=4 212 B6R1.1 O1NCCCC1 AK156568 [1,0,0,1,0,0|1,1,0]=4 213 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,1,0,0|1,0,0]=3 214 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,1,0,0|1,0,0]=3 215 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|1,1,0]=4 216 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|1,0,0]=3 217 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,0]=3 218 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|1,0,0]=3 219 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.2 IC1COCC1 AK162325 [1,0,0,1,0,0|2,0,0]=4 223 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,1,0,0|1,1,0]=4 225 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,0]=3 226 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,1,0,0|2,0,0]=4 227 B6R1.2 NC1COCC1 AK-25569 [1,0,0,1,0,0|2,0,0]=4 228 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,1,0,0|2,0,0]=4 230 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,1,0,0|1,1,0]=4 234 B6R1.2 OC1CNCC1 AK134933 [1,0,0,1,0,0|1,1,0]=4 235 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,1,0,0|1,1,0]=4 236 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|1,1,0]=4 237 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,1,0,0|1,1,0]=4 238 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,1,0,0|1,1,0]=4 239 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|1,1,0]=4 240 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,1,0,0|1,1,0]=4 241 B6R1.3 NCCC1CC1 AK-88169 [1,0,0,1,0,0|1,0,0]=3 242 B6R1.3 NOCC1CC1 AK110167 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.3 OCCN1CC1 AK-85970 [1,0,0,1,0,0|1,1,0]=4 244 B6R1.6 CNC1CCC1 AK157567 [1,0,0,1,0,0|1,0,0]=3 245 B6R1.6 CNC1CNC1 AK158168 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.6 COC1CNC1 AK-30498 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.6 N1CC(C1)CO AK-38948 [1,0,0,1,0,0|1,1,0]=4 248 B6R1.6 NCC1CCC1 AK-40089 [1,0,0,1,0,0|1,0,0]=3 249 B6R1.6 NCC1CNC1 AK-39033 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.6 NNC1CCC1 AK-51694 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.6 O1CC(C1)CN AK-41045 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.6 OCC1CCO1 AK-64713 [1,0,0,1,0,0|1,1,0]=4 253 B6R1.6 OCC1COC1 AK-43870 [1,0,0,1,0,0|1,1,0]=4 254 B6R1.6 OC[C@H]1NCC1 AK-59466 [1,0,0,1,0,0|1,1,0]=4 255 B8R1.2 BrCC1CCCCC1 AK-34379 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.2 BrCC1CCOCC1 AK-33044 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.2 C#CC1CCCNC1 AK-40565 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.2 C(C1CCOCC1)O AK-25438 [0,1,0,1,0,0|0,1,0]=3 259 B8R1.2 C1C(CCOC1)C#N AK-35140 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.2 C1C(OCCC1)ON AK-26246 [0,1,0,1,0,0|1,1,0]=4 261 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.2 CNC1CCCNC1 AK-39351 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.2 CNC1CCNCC1 AK-81357 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.2 CNC1CCOCC1 AK-29001 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.2 COC1CCNCC1 AK-86244 [0,1,0,1,0,0|1,1,0]=4 267 B8R1.2 ClCC1NCCCC1 AK-78057 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.2 ICC1CCCCC1 AK126313 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.2 ICC1CCOCC1 AK-51037 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.2 N#CC1CCCCC1 AK117259 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.2 N#CC1CCNCC1 AK-76369 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.2 N#CC1CNCCC1 AK-84454 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,1,0,0|0,1,0]=3 274 B8R1.2 NCC1CCOCC1 AK-33095 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.2 NCC1OCCOC1 AK143280 [0,1,0,1,0,0|1,1,0]=4 276 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,1,0,1,0,0|1,1,0]=4 277 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,1,0,1,0,0|1,1,0]=4 278 B8R1.2 NNC1CCCCC1 AK-51695 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.2 NNC1CCOCC1 AK-40761 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.2 OCC1CCC=CC1 AK-63968 [0,1,0,1,0,0|0,1,1]=4 281 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,1,0,0|0,1,0]=3 282 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,1,0,0|0,1,0]=3 283 B8R1.2 OCC1CNCCO1 AK-30231 [0,1,0,1,0,0|1,1,0]=4 284 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,1,0,0|0,1,0]=3 285 B8R1.2 OCC1NCCNC1 AK-42128 [0,1,0,1,0,0|1,1,0]=4 286 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,1,0,0|0,1,0]=3 287 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,1,0,1,0,0|1,1,0]=4 288 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,1,0,1,0,0|1,1,0]=4 289 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,1,0,0|0,1,0]=3 290 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,1,0,1,0,0|1,1,0]=4 291 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,1,0,1,0,0|1,1,0]=4 292 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,1,0,1,0,0|1,1,0]=4 293 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,1,0,1,0,0|1,1,0]=4 294 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,1,0,1,0,0|1,1,0]=4 295 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,1,0,0|0,1,0]=3 296 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,1,0,0|0,1,0]=3 297 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,1,0,0|0,1,0]=3 298 B8R1.5 BrC1CCCCC1Br AK110889 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,1,0,0|0,1,0]=3 300 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,1,0,0|0,1,0]=3 301 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,1,0,0|0,1,0]=3 302 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,1,0,0|0,1,1]=4 304 B8R1.5 NC1C(F)COCC1 AK-68595 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,1,0,0|0,1,1]=4 306 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,1,0,0|0,1,0]=3 307 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,1,0,0|0,1,0]=3 311 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,1,0,0|0,1,0]=3 312 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|0,1,1]=4 314 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|0,1,1]=4 315 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,1,0,0|0,1,0]=3 316 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,1,0,0|0,1,0]=3 317 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,1,0,0|1,1,0]=4 318 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,1,0,0|0,1,0]=3 319 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,1,0,0|0,1,0]=3 320 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,1,0,0|0,1,0]=3 321 B8R1.8 BrCCN1CCCC1 AK-87121 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.8 C#CCN1CCCC1 AK172817 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,1,0,1,0,0|1,1,0]=4 324 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.8 ClCCN1CCCC1 AK-36224 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.8 N#CCC1CCCO1 AK-77313 [0,1,0,1,0,0|0,1,1]=4 327 B8R1.8 N#CCN1CCCC1 AK116272 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.8 N#CC[NH+]1CCCC1 AK159463 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.8 NCCC1CCCC1 AK-84118 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.8 OCC[C@H]1CNCC1 AK192539 [0,1,0,1,0,0|0,1,0]=3 331 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,1,0,1,0,0|0,1,0]=3 332 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [0,1,0,1,0,0|0,1,0]=3 334 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|0,1,0]=3 336 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|0,1,1]=4 337 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|0,1,1]=4 338 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,1,0,1,0,0|0,1,0]=3 339 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,1,0,1,0,0|0,1,0]=3 340 B8R1.22 CC1NCCNCC1 AK-34218 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,1,0,0|0,1,1]=4 342 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,1,0,0|0,1,1]=4 344 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [0,1,0,1,0,0|1,1,0]=4 345 B8R1.1 O[C@@H]1CO[C@H](CO)C1 AK131139 [0,1,0,1,0,0|1,1,0]=4 346 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [0,1,0,1,0,0|1,1,0]=4 347 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,1,0,0|0,1,0]=3 348 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,1,0,1,0,0|1,1,0]=4 351 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,1,0,1,0,0|1,1,0]=4 352 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,1,0,1,0,0|1,1,0]=4 353 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,1,0,0|0,1,0]=3 356 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,1,0,0|0,1,1]=4 359 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,1,0,0|0,1,1]=4 360 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,1,0,0|0,1,0]=3 361 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,1,0,0|1,1,0]=4 362 B8R1.3 OC1CCN(N)CC1 AK116503 [0,1,0,1,0,0|1,1,0]=4 363 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,1,0,0|0,1,0]=3 364 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,1,0,0|0,1,0]=3 365 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,1,0,0|0,1,0]=3 366 B8R1.52 C[N+]1(CC)CCCC1 AK-40712 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.52 NCC1(CCCC1)O AK-70915 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.4 CC1COCC(C)N1 AK138217 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,1,0,1,0,0|1,1,0]=4 374 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,1,0,0|0,1,0]=3 375 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,1,0,0|1,1,0]=4 381 B8R1.7 CC(C1SCCN1)=O AK163728 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,1,0,1,0,0|0,1,1]=4 384 B8R1.7 OB(C1CCCC1)O AK-61891 [0,1,0,1,0,0|1,1,0]=4 385 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,1,0,1,0,0|0,1,1]=4 386 B8R1.72 CC1(C)CCNCC1 AK116331 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.72 CC1(C)CNCCO1 AK113050 [0,1,0,1,0,0|1,1,0]=4 388 B8R1.72 CC1(C)CNCCO1 AK128847 [0,1,0,1,0,0|1,1,0]=4 389 B8R1.72 CC1(C)NCCOC1 AK-88532 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.72 CC1(CCOCC1)O AK-31507 [0,1,0,1,0,0|1,1,0]=4 391 B8R1.72 CC1(CNCCN1)C AK-36524 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.72 FC1(F)CNCCC1 AK-32194 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,1,0,0|0,1,0]=3 396 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,1,0,1,0,0|1,1,0]=4 397 B8R1.72 OC1(O)CCNCC1 AK109336 [0,1,0,1,0,0|1,1,0]=4 398 B8R2.11 NC1C2COCC12 AK-31517 [0,0,0,2,0,0|2,0,0]=4 399 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,0,0,2,0,0|1,1,0]=4 400 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,2,0,0|1,0,0]=3 401 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,0,0,2,0,0|1,1,0]=4 402 B8R2.42 C1NCC12CCC2 AK165454 [0,0,0,2,0,0|2,0,0]=4 403 B8R2.42 C1NCC12CCC2 AK173045 [0,0,0,2,0,0|2,0,0]=4 404 B8R2.42 N1CCC12COC2 AK130517 [0,0,0,2,0,0|2,0,0]=4 405 B8R2.24 C1(NC2CC2)CC1 AK-87035 [0,0,0,2,0,0|2,0,0]=4