0 B6R0.6 BrCCCCCBr AC-23026 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 CNCCC#N AC-77234 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.2 NCCCCBr AC-81002 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.1 N#CCCNCCO AC-85923 [0,1,0,0,0,0|1,0,1]=3 4 B7R0.1 OCCCCCCCl AC-74167 [0,1,0,0,0,0|0,0,0]=1 5 B7R0.3 COC(=O)CCCN AC-34788 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.4 CC(=O)CCCCBr AC-77132 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.4 CCCCCB(O)O AC-77216 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.4 CNCCCC(=O)O AC-81313 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.7 CCCC(=O)OCCl AC-74037 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.7 CCCC(=S)OCC AC-29188 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.7 CCOC(=O)CCN AC-28868 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.7 CCOC(=O)CCS AC-74165 [0,1,0,0,0,0|1,1,1]=4 13 B7R0.7 COCC(N)COC AC-32105 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.1 BrCC1OCCO1 AC-76845 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.1 CNC1CCOC1 AC-87875 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 CN[C@H]1CCNC1 AC-64587 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.1 CO[C@@H]1CCNC1 AC-80487 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.1 CO[C@H]1CCNC1 AC-80708 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 N#CC1CCOC1 AC-44958 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 NCC1CCCC1 AC-27260 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.1 NCC1CCCC1 AC-37884 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.1 NCC1CCNC1 AC-63684 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.1 NNC1CCCC1 AC-27275 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.1 NNC1CCCC1 AC-75898 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.1 NNC1CCNC1 AC-75769 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.1 NNC1CCOC1 AC-92184 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.1 NNC1CCOC1 AC-95290 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.1 O=CC1CCCO1 AC-31412 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.1 OCC1CCCN1 AC-57969 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.1 OCC1CCNC1 AC-42224 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.1 OCC1COCO1 AC-89617 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.1 OCC1OCCO1 AC-93064 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.1 OC[C@H]1CCCN1 AC-11286 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.1 ON=C1CCCC1 AC-83680 [0,0,0,1,0,0|1,0,1]=3 36 B7R1.3 BrC1CCCCC1 AC-77401 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.3 BrC1CCNCC1 AC-25463 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 CC1CNCCN1 AC-31498 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 CC1CNCCO1 AC-39793 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.3 C[C@H]1CNCCN1 AC-10557 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.3 C[C@H]1CNCCO1 AC-79261 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.3 C[C@H]1COCCN1 AC-39938 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 ClC1CCOCC1 AC-93376 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.3 FC1CCCNC1 AC-23654 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.3 FC1CCNCC1 AC-23653 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.3 F[C@@H]1CCCNC1 AC-82716 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 F[C@H]1CCCNC1 AC-82770 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 NC1CCCNC1 AC-13466 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.3 NN1CCCCC1 AC-22789 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 O=C1CCNCC1 AC-76761 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.3 O=C1CCOCC1 AC-15730 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.3 O=S1CCOCC1 AC-96400 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 OC1CCCNC1 AC-13470 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.3 OC1CCCOC1 AC-43113 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.3 OC1CCNCC1 AC-11055 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.3 OC1CCOCC1 AC-40767 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.3 OC1CCSCC1 AC-55374 [0,0,0,1,0,0|1,0,0]=2 59 B7R1.3 O[C@H]1CCCNC1 AC-10547 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.4 CC1CCNC1=O AC-80276 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.4 CC1OCCC1=O AC-16100 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.4 NC1CCCC1N AC-92921 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.4 NC1CCCC1O AC-74003 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.4 NC1CCCC1O AC-94382 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.6 CCOC1CNC1 AC-89124 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.6 CNCC1CNC1 AC-91756 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.6 NCCC1CCC1 AC-87674 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.6 NCCN1CCC1 AC-94695 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.6 OCCC1CCC1 AC-84374 [0,0,0,1,0,0|0,0,0]=1 78 B7R1.7 OCCCC1CC1 AC-95188 [0,0,0,1,0,0|0,0,0]=1 79 B7R1.9 N#CC1CC1CO AC-94243 [0,0,0,1,0,0|1,0,1]=3 80 B4R0.2 CSCCN AC-56055 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.1 CCOC(=O)CO AC-76790 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.4 CC(=O)CCCBr AC-77239 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.4 CC(=O)CCCCl AC-35279 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.4 CCCCB(O)O AC-11281 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.4 CN(C)CCCCl AC-23395 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 CNCCC(C)=O AC-83135 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 NCCCC(=O)O AC-22540 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.4 O=C(O)CCCBr AC-34557 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.6 CCCCNC(=O)CCl AC-57945 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.6 NCCCC[C@@H](N)CO AC-85531 [0,2,0,0,0,0|0,0,0]=2 91 B8R0.6 NCCCC[C@@H](N)CO AC-86217 [0,2,0,0,0,0|0,0,0]=2 92 B8R0.7 NCCCCCC(=O)O AC-22667 [0,2,0,0,0,0|0,0,1]=3 93 B8R0.7 NCCCCCC(=O)O AC-74011 [0,2,0,0,0,0|0,0,1]=3 94 B8R0.7 O=C(O)CCCCCBr AC-80223 [0,2,0,0,0,0|0,0,1]=3 95 B8R0.3 CCOC(=O)C(N)CO AC-86715 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.3 CCOC(=O)[C@@H](N)CO AC-61555 [0,2,0,0,0,0|1,0,1]=4 97 B8R0.3 CCOC(=O)[C@H](N)CO AC-76786 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.8 NCCC[C@H](N)C(=O)O AC-10594 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.19 CC(CO)NC(C)CO AC-79788 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.5 CCOC(=O)CC(C)O AC-66322 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.28 CN(C)CCCC(=O)O AC-51576 [0,2,0,0,0,0|1,0,1]=4 104 B6R1.1 C1CSCCN1 AC-86787 [1,0,0,1,0,0|1,1,0]=4 105 B6R1.2 BrC1CCNC1 AC-83481 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 CC1=NCCC1 AC-76756 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.2 CC1=NCCO1 AC-82993 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.2 CC1CCCN1 AC-44592 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.2 CC1CCNC1 AC-41388 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.2 C[C@@H]1CCCN1 AC-64584 [1,0,0,1,0,0|1,0,0]=3 111 B6R1.2 C[C@@H]1CCCN1 AC-75579 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 C[C@H]1CCCN1 AC-64583 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 FC1CCNC1 AC-80571 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 F[C@H]1CCNC1 AC-23662 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 IC1CCOC1 AC-43302 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.2 NC1CCOC1 AC-32068 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 NC1CCOC1 AC-77272 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.2 NN1CCCC1 AC-16612 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.2 NN1CCCC1 AC-32619 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.2 N[C@H]1CCNC1 AC-11448 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 N[C@H]1CCOC1 AC-39277 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.2 OC1CCOC1 AC-17899 [1,0,0,1,0,0|1,0,0]=3 123 B6R1.2 O[C@@H]1CCNC1 AC-10540 [1,0,0,1,0,0|1,0,0]=3 124 B6R1.2 O[C@@H]1CCNC1 AC-75583 [1,0,0,1,0,0|1,0,0]=3 125 B6R1.2 O[C@H]1CCNC1 AC-10541 [1,0,0,1,0,0|1,0,0]=3 126 B6R1.2 O[C@H]1CCOC1 AC-65385 [1,0,0,1,0,0|1,0,0]=3 127 B6R1.3 BrCCC1CC1 AC-71739 [1,0,0,1,0,0|1,0,0]=3 128 B6R1.3 CNCC1CC1 AC-44560 [1,0,0,1,0,0|1,0,0]=3 129 B6R1.3 ICCC1CC1 AC-87442 [1,0,0,1,0,0|1,0,0]=3 130 B6R1.3 NNCC1CC1 AC-75755 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.6 COC1CNC1 AC-70583 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.6 NCC1CCN1 AC-59672 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.6 NCC1COC1 AC-40088 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.6 OCC1CCO1 AC-27493 [1,0,0,1,0,0|1,0,0]=3 135 B6R1.6 OCC1CNC1 AC-39034 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.2 BrCC1CCCCC1 AC-76811 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.2 BrCC1CCCCN1 AC-86847 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.2 BrCC1CCNCC1 AC-40420 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.2 C#CC1CCCCN1 AC-76394 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.2 C#CC1CCCNC1 AC-76720 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.2 CCN1CCNCC1 AC-23550 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.2 CC[C@H]1CNCCN1 AC-40317 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.2 CNC1CCCNC1 AC-13468 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.2 CNC1CCNCC1 AC-89238 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.2 CNC1CCOCC1 AC-44315 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.2 COC1CCNCC1 AC-76977 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.2 FCC1CCCNC1 AC-40494 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.2 N#CC1CCCCC1 AC-27209 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.2 N#CC1CCCCN1 AC-89254 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.2 N#CC1CCCNC1 AC-27166 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.2 N#CC1CNCCO1 AC-39820 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.2 NCC1CCCCC1 AC-35085 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.2 NCC1CCCCN1 AC-73953 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.2 NCC1CCOCC1 AC-15985 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.2 NCC1CCSCC1 AC-75595 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.2 NNC1CCCCC1 AC-43570 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.2 NNC1CCCCC1 AC-87528 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.2 NNC1CCCNC1 AC-75765 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.2 NNC1CCNCC1 AC-75766 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.2 NNC1CCNCC1 AC-75767 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.2 NNC1CCOCC1 AC-43233 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 NNC1CCOCC1 AC-72222 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.2 NNC1CCOCC1 AC-75782 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.2 NNC1CCSCC1 AC-75783 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.2 O=CC1CCCCO1 AC-93347 [0,1,0,1,0,0|0,0,1]=3 166 B8R1.2 OCC1CC=CCC1 AC-88431 [0,1,0,1,0,0|0,0,1]=3 167 B8R1.2 OCC1CCCCN1 AC-13462 [0,1,0,1,0,0|0,0,0]=2 168 B8R1.2 OCC1CCCNC1 AC-13467 [0,1,0,1,0,0|0,0,0]=2 169 B8R1.2 OCC1CCCNC1 AC-75573 [0,1,0,1,0,0|0,0,0]=2 170 B8R1.2 OCC1CCNCC1 AC-13474 [0,1,0,1,0,0|0,0,0]=2 171 B8R1.2 OCC1CCSCC1 AC-43732 [0,1,0,1,0,0|0,0,0]=2 172 B8R1.2 OCC1CNCCO1 AC-42815 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.2 OCC1COCCN1 AC-39826 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.2 OCC1COCCN1 AC-95170 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.2 OC[C@@H]1CCCNC1 AC-80407 [0,1,0,1,0,0|0,0,0]=2 176 B8R1.2 OC[C@@H]1CNCCO1 AC-79291 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.2 OC[C@@H]1COCCN1 AC-79752 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.2 OC[C@@H]1COCCO1 AC-81179 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.2 OC[C@H]1CCCNC1 AC-75387 [0,1,0,1,0,0|0,0,0]=2 180 B8R1.2 OC[C@H]1CNCCO1 AC-80719 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.2 OC[C@H]1COCCN1 AC-79676 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.2 OC[C@H]1COCCO1 AC-81191 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.2 ONC1CCCCC1 AC-86419 [0,1,0,1,0,0|0,0,0]=2 184 B8R1.5 BrC1CCCCC1Br AC-77428 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.5 CC1CNCCC1O AC-42712 [0,1,0,1,0,0|0,0,0]=2 186 B8R1.5 CC1CNCCC1O AC-87939 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.5 CC1CNCCN1C AC-61977 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.5 CC1COCCC1=O AC-71971 [0,1,0,1,0,0|0,0,2]=4 189 B8R1.5 CC1COCCC1O AC-81397 [0,1,0,1,0,0|0,0,0]=2 190 B8R1.5 CC1CSCCC1=O AC-88127 [0,1,0,1,0,0|0,0,2]=4 191 B8R1.5 CC1NCCCC1=O AC-91259 [0,1,0,1,0,0|0,0,2]=4 192 B8R1.5 NC1CCCCC1O AC-24447 [0,1,0,1,0,0|0,0,0]=2 193 B8R1.5 NC1CCCCC1O AC-89664 [0,1,0,1,0,0|0,0,0]=2 194 B8R1.5 NC1COCCC1O AC-84168 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-35397 [0,1,0,1,0,0|0,0,0]=2 196 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-75173 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.5 N[C@@H]1CCCC[C@H]1O AC-41457 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.5 N[C@H]1CCCC[C@@H]1N AC-11454 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68294 [0,1,0,1,0,0|0,0,0]=2 200 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68295 [0,1,0,1,0,0|0,0,0]=2 201 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-72095 [0,1,0,1,0,0|0,0,0]=2 202 B8R1.5 N[C@H]1CCCC[C@H]1O AC-35398 [0,1,0,1,0,0|0,0,0]=2 203 B8R1.5 O=C1NCCCC1O AC-80821 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.5 O=C1OCCCC1Br AC-91315 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.5 O=C1OCCCC1O AC-79460 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.5 OC1CCNCC1F AC-82814 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.5 O[C@H]1CCCC[C@H]1O AC-86707 [0,1,0,1,0,0|0,0,0]=2 208 B8R1.8 BrCCC1OCCO1 AC-14513 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.8 BrCCN1CCCC1 AC-85390 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.8 BrCCN1CCCC1 AC-88500 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.8 BrCCN1CCCC1 AC-93553 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.8 ClCCC1OCCO1 AC-95344 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.8 ClCCN1CCCC1 AC-11213 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.8 ClCCN1CCCC1 AC-25775 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.8 N#CCN1CCCC1 AC-50386 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.8 NCCC1CCCC1 AC-27258 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.8 NCCN1CCCC1 AC-93744 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.8 NOCC1CCCC1 AC-95371 [0,1,0,1,0,0|0,0,0]=2 219 B8R1.8 OCCC1CCCC1 AC-27271 [0,1,0,1,0,0|0,0,0]=2 220 B8R1.8 OCCC1CCNC1 AC-63685 [0,1,0,1,0,0|0,0,0]=2 221 B8R1.8 OCCC1CCNC1 AC-90593 [0,1,0,1,0,0|0,0,0]=2 222 B8R1.11 C#CC1CCCC1O AC-92406 [0,1,0,1,0,0|0,0,1]=3 223 B8R1.11 CN1CCCC1CN AC-55593 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.11 NN1CCC[C@H]1CO AC-83371 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.22 O=C1CCCCNC1 AC-81448 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.1 CCN1CCC(N)C1 AC-75908 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.1 CN1CCC(CN)C1 AC-58269 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.3 CC1CCC(N)CC1 AC-15272 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.3 CN1CCC(Br)CC1 AC-90917 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.3 CN1CCC(Cl)CC1 AC-14799 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.3 CN1CCC(N)CC1 AC-15983 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.3 CN1CCC(N)CC1 AC-32689 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.3 CN1CCC(O)CC1 AC-31528 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.3 C[C@H]1CN[C@H](C)CN1 AC-13454 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.3 NC1CCC(Br)CC1 AC-93878 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.3 NC1CCC(N)CC1 AC-92981 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.3 NC1CCC(O)CC1 AC-24446 [0,1,0,1,0,0|0,0,0]=2 240 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AC-35402 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-13249 [0,1,0,1,0,0|0,0,0]=2 242 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-22598 [0,1,0,1,0,0|0,0,0]=2 243 B8R1.3 O=C1CCC(O)CC1 AC-37934 [0,1,0,1,0,0|0,0,1]=3 244 B8R1.3 OC1CCC(O)CC1 AC-27214 [0,1,0,1,0,0|0,0,0]=2 245 B8R1.3 OC1COC(O)CO1 AC-45373 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.3 O[C@H]1CC[C@H](O)CC1 AC-77342 [0,1,0,1,0,0|0,0,0]=2 247 B8R1.52 CC1(CO)OCCO1 AC-94413 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.52 NCC1(O)CCCC1 AC-42703 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,1,0,1,0,0|0,0,1]=3 250 B8R1.4 CC1CC(O)CCN1 AC-91898 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.4 CC1CCNC(C)C1 AC-79794 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.4 CC1CN(C)CCN1 AC-94178 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.4 CC1CNCC(C)C1 AC-76556 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.4 CC1CNCC(C)N1 AC-14139 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.4 CN1CCCC(Br)C1 AC-84476 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.4 CN1CCCC(N)C1 AC-75975 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AC-77060 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-81399 [0,1,0,1,0,0|1,0,0]=3 260 B8R1.4 NC1CCCC(N)C1 AC-27333 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.4 NC1CCCC(O)C1 AC-32513 [0,1,0,1,0,0|0,0,0]=2 262 B8R1.4 NC1CCCC(O)C1 AC-72120 [0,1,0,1,0,0|0,0,0]=2 263 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AC-81874 [0,1,0,1,0,0|0,0,0]=2 264 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AC-35134 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.4 O=C1CC(O)CCN1 AC-65410 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.6 CN1CC(CCO)C1 AC-96500 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.7 CC(N)C1CCCC1 AC-75897 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.7 NC(=O)C1CCCO1 AC-81426 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.7 O=C(O)C1CCCC1 AC-27255 [0,1,0,1,0,0|0,0,1]=3 270 B8R1.7 O=C(O)C1CCCN1 AC-19172 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.7 O=C(O)C1CCOC1 AC-44952 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.7 O=C(O)[C@@H]1CCOC1 AC-63073 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.7 O=C(O)[C@H]1CCNC1 AC-20499 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.7 O=C(O)[C@H]1CCNC1 AC-63692 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.7 O=C(O)[C@H]1CCOC1 AC-85377 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.7 OB(O)C1CCCC1 AC-17942 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.19 CC1(C)CCCC1=O AC-92916 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.34 CC(O)CN1CCC1 AC-94166 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.34 O=C(O)CC1CCC1 AC-45159 [0,1,0,1,0,0|0,0,1]=3 282 B8R1.34 O=C(O)CC1CNC1 AC-90589 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.34 O=C(O)CN1CCC1 AC-94294 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.35 CC(C)CNC1CC1 AC-72017 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.35 O=C(O)CCC1CC1 AC-45156 [0,1,0,1,0,0|0,0,1]=3 286 B8R1.35 O=C(O)CNC1CC1 AC-94098 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.72 CC1(C)CNCCN1 AC-40150 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.72 CC1(N)CCOCC1 AC-79943 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.72 CC1(O)CCCCC1 AC-82882 [0,1,0,1,0,0|0,0,0]=2 290 B8R1.72 FC1(F)CCCNC1 AC-23279 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.72 FC1(F)CCNCC1 AC-18254 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.72 FC1(F)CCNCC1 AC-40455 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.72 OC1(O)CCNCC1 AC-23995 [0,1,0,1,0,0|1,0,0]=3 294 B8R2.11 NC1C2COCC12 AC-83825 [0,0,0,2,0,0|2,0,0]=4 295 B8R2.24 C1CC1NC2CC2 AC-81052 [0,0,0,2,0,0|2,0,0]=4