0 B6R0.6 BrCCCCCBr AC-23026 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 NCCCCBr AC-81002 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.1 N#CCCNCCO AC-85923 [0,1,0,0,0,0|1,0,0]=2 3 B7R0.1 OCCCCCCCl AC-74167 [0,1,0,0,0,0|2,0,0]=3 4 B7R0.4 C=CCNCC(=O)O AC-32135 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.4 CCCCCB(O)O AC-77216 [0,1,0,0,0,0|3,0,0]=4 6 B7R1.1 BrCC1OCCO1 AC-76845 [0,0,0,1,0,0|2,0,0]=3 7 B7R1.1 NCC1CCCC1 AC-27260 [0,0,0,1,0,0|3,0,0]=4 8 B7R1.1 NCC1CCCC1 AC-37884 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 O=CC1CCCO1 AC-31412 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.1 OCC1CCCN1 AC-57969 [0,0,0,1,0,0|1,0,0]=2 11 B7R1.1 OCC1CCNC1 AC-42224 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 OCC1COCO1 AC-89617 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.1 OCC1OCCO1 AC-93064 [0,0,0,1,0,0|1,0,0]=2 14 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [0,0,0,1,0,0|1,0,0]=2 15 B7R1.1 OC[C@H]1CCCN1 AC-11286 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.3 BrC1CCCCC1 AC-77401 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.3 CC1CNCCN1 AC-31498 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.3 CC1CNCCO1 AC-39793 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.3 C[C@H]1CNCCN1 AC-10557 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.3 C[C@H]1CNCCO1 AC-79261 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.3 C[C@H]1COCCN1 AC-39938 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 FC1CCCNC1 AC-23654 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.3 F[C@@H]1CCCNC1 AC-82716 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 F[C@H]1CCCNC1 AC-82770 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 NC1CCCNC1 AC-13466 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.3 OC1CCCNC1 AC-13470 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.3 OC1CCCOC1 AC-43113 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.3 OC1CCNCC1 AC-11055 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 OC1CCOCC1 AC-40767 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 OC1CCSCC1 AC-55374 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 O[C@H]1CCCNC1 AC-10547 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.4 NC1CCCC1N AC-92921 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.4 NC1CCCC1O AC-74003 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.4 NC1CCCC1O AC-94382 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,0,0,1,0,0|0,0,0]=1 42 B7R1.6 NCCC1CCC1 AC-87674 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.6 NCCN1CCC1 AC-94695 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.6 OCCC1CCC1 AC-84374 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.7 OCCCC1CC1 AC-95188 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.9 N#CC1CC1CO AC-94243 [0,0,0,1,0,0|2,0,1]=4 47 B4R0.2 CNCC#N AC-61557 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.2 CSCCN AC-56055 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.1 CCOC(=O)CO AC-76790 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.4 CCCCB(O)O AC-11281 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 NCCCC(=O)O AC-22540 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 O=C(O)CCCBr AC-34557 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.6 NCCCC[C@@H](N)CO AC-85531 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.6 NCCCC[C@@H](N)CO AC-86217 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.7 NCCCCCC(=O)O AC-22667 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.7 NCCCCCC(=O)O AC-74011 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.7 O=C(O)CCCCCBr AC-80223 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.19 CC(CO)NC(C)CO AC-79788 [0,2,0,0,0,0|0,0,0]=2 59 B6R1.1 C1CSCCN1 AC-86787 [1,0,0,1,0,0|0,1,0]=3 60 B6R1.2 BrC1CCNC1 AC-83481 [1,0,0,1,0,0|1,0,0]=3 61 B6R1.2 CC1=NCCO1 AC-82993 [1,0,0,1,0,0|0,0,2]=4 62 B6R1.2 CC1CCCN1 AC-44592 [1,0,0,1,0,0|1,0,0]=3 63 B6R1.2 CC1CCNC1 AC-41388 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.2 C[C@@H]1CCCN1 AC-64584 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.2 C[C@@H]1CCCN1 AC-75579 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.2 C[C@H]1CCCN1 AC-64583 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.2 FC1CCNC1 AC-80571 [1,0,0,1,0,0|1,0,0]=3 68 B6R1.2 F[C@H]1CCNC1 AC-23662 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.2 IC1CCOC1 AC-43302 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.2 NC1CCOC1 AC-32068 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.2 NC1CCOC1 AC-77272 [1,0,0,1,0,0|2,0,0]=4 72 B6R1.2 N[C@H]1CCNC1 AC-11448 [1,0,0,1,0,0|1,0,0]=3 73 B6R1.2 N[C@H]1CCOC1 AC-39277 [1,0,0,1,0,0|2,0,0]=4 74 B6R1.2 O=C1CCNC1 AC-22267 [1,0,0,1,0,0|0,0,2]=4 75 B6R1.2 OC1=NNCC1 AC-50576 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 OC1CCOC1 AC-17899 [1,0,0,1,0,0|1,0,0]=3 77 B6R1.2 O[C@@H]1CCNC1 AC-10540 [1,0,0,1,0,0|0,0,0]=2 78 B6R1.2 O[C@@H]1CCNC1 AC-75583 [1,0,0,1,0,0|0,0,0]=2 79 B6R1.2 O[C@H]1CCNC1 AC-10541 [1,0,0,1,0,0|0,0,0]=2 80 B6R1.2 O[C@H]1CCOC1 AC-65385 [1,0,0,1,0,0|1,0,0]=3 81 B6R1.3 BrCCC1CC1 AC-71739 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.3 ICCC1CC1 AC-87442 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.6 NCC1CCN1 AC-59672 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.6 OCC1CCO1 AC-27493 [1,0,0,1,0,0|0,0,0]=2 85 B6R1.6 OCC1CNC1 AC-39034 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 BrCC1CCCCN1 AC-86847 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.2 C#CC1CCCNC1 AC-76720 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.2 CC[C@H]1CNCCN1 AC-40317 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.2 CNC1CCCNC1 AC-13468 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.2 FCC1CCCNC1 AC-40494 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.2 N#CC1CCCNC1 AC-27166 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.2 N#CC1CNCCO1 AC-39820 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.2 NCC1CCCCN1 AC-73953 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.2 NNC1CCCNC1 AC-75765 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.2 O=CC1CCCCO1 AC-93347 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.2 OCC1CCCCN1 AC-13462 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.2 OCC1CCCNC1 AC-13467 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.2 OCC1CCCNC1 AC-75573 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.2 OCC1CCNCC1 AC-13474 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.2 OCC1CCSCC1 AC-43732 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.2 OCC1CNCCO1 AC-42815 [0,1,0,1,0,0|0,0,0]=2 102 B8R1.2 OCC1COCCN1 AC-39826 [0,1,0,1,0,0|0,0,0]=2 103 B8R1.2 OCC1COCCN1 AC-95170 [0,1,0,1,0,0|0,0,0]=2 104 B8R1.2 OC[C@@H]1CCCNC1 AC-80407 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.2 OC[C@@H]1CNCCO1 AC-79291 [0,1,0,1,0,0|0,0,0]=2 106 B8R1.2 OC[C@@H]1COCCN1 AC-79752 [0,1,0,1,0,0|0,0,0]=2 107 B8R1.2 OC[C@@H]1COCCO1 AC-81179 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.2 OC[C@H]1CCCNC1 AC-75387 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.2 OC[C@H]1CNCCO1 AC-80719 [0,1,0,1,0,0|0,0,0]=2 110 B8R1.2 OC[C@H]1COCCN1 AC-79676 [0,1,0,1,0,0|0,0,0]=2 111 B8R1.2 OC[C@H]1COCCO1 AC-81191 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.2 ONC1CCCCC1 AC-86419 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.5 CC1CNCCC1O AC-42712 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.5 CC1CNCCC1O AC-87939 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.5 CC1CNCCN1C AC-61977 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.5 CC1COCCC1O AC-81397 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.5 NC1CCCCC1O AC-24447 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.5 NC1CCCCC1O AC-89664 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.5 NC1COCCC1O AC-84168 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-35397 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.5 N[C@@H]1CCCC[C@H]1O AC-41457 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68294 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68295 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-72095 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.5 N[C@H]1CCCC[C@H]1O AC-35398 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.5 O=C1NCCCC1O AC-80821 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.5 OC1CCNCC1F AC-82814 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.5 O[C@H]1CCCC[C@H]1O AC-86707 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.8 BrCCC1OCCO1 AC-14513 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.8 BrCCN1CCCC1 AC-85390 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.8 BrCCN1CCCC1 AC-88500 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.8 BrCCN1CCCC1 AC-93553 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.8 ClCCC1OCCO1 AC-95344 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.8 ClCCN1CCCC1 AC-11213 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.8 ClCCN1CCCC1 AC-25775 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.8 NCCN1CCCC1 AC-93744 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.8 NOCC1CCCC1 AC-95371 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.8 OCCC1CCCC1 AC-27271 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.8 OCCC1CCNC1 AC-63685 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.8 OCCC1CCNC1 AC-90593 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.11 C#CC1CCCC1O AC-92406 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.11 CN1CCCC1CN AC-55593 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.11 NN1CCC[C@H]1CO AC-83371 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.3 C[C@H]1CN[C@H](C)CN1 AC-13454 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.3 NC1CCC(O)CC1 AC-24446 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-13249 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-22598 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.3 OC1CCC(O)CC1 AC-27214 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.3 OC1COC(O)CO1 AC-45373 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.3 O[C@H]1CC[C@H](O)CC1 AC-77342 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.52 CC1(CO)OCCO1 AC-94413 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.4 CC1CN(C)CCN1 AC-94178 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.4 CC1CNCC(C)C1 AC-76556 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 CC1CNCC(C)N1 AC-14139 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.4 CN1CCCC(Br)C1 AC-84476 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.4 CN1CCCC(N)C1 AC-75975 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.4 CN1CCOC(=O)C1 AC-91581 [0,1,0,1,0,0|0,0,2]=4 161 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AC-77060 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-81399 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.4 NC1CCCC(O)C1 AC-32513 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.4 NC1CCCC(O)C1 AC-72120 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AC-81874 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.7 O=C(O)C1CCCN1 AC-19172 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.7 O=C(O)C1NCCS1 AC-62961 [0,1,0,1,0,0|0,1,1]=4 168 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.34 CC(O)CN1CCC1 AC-94166 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.34 O=C(O)CN1CCC1 AC-94294 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.35 CC(C)CNC1CC1 AC-72017 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.35 O=C(O)CNC1CC1 AC-94098 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.72 CC1(C)CNCCN1 AC-40150 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.72 CC1(O)CCCCC1 AC-82882 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.72 FC1(F)CCCNC1 AC-23279 [0,1,0,1,0,0|2,0,0]=4 177 B8R2.24 C1CC1NC2CC2 AC-81052 [0,0,0,2,0,0|2,0,0]=4