0 B6R1.2 BrC1=CCCC1 AC-37861 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.2 BrC1CCNC1 AC-83481 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 CC1=NCCC1 AC-76756 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1=NCCO1 AC-82993 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 CC1CC=NN1 AC-87752 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 CC1CCCN1 AC-44592 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CC1CCNC1 AC-41388 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 FC1CCNC1 AC-80571 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 IC1CCOC1 AC-43302 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 N=C1CCCN1 AC-43001 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 NC1=NCCC1 AC-76909 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 NC1=NCCS1 AC-16812 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 NC1CC=CC1 AC-79830 [0,0,0,0,0,0|1,0,2]=3 17 B6R1.2 NC1CCOC1 AC-32068 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 NC1CCOC1 AC-77272 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 NN1CCCC1 AC-16612 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 NN1CCCC1 AC-32619 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 O=C1CC=CC1 AC-37498 [0,0,0,0,0,0|0,1,3]=4 24 B6R1.2 O=C1CCNC1 AC-22267 [0,0,0,0,0,0|1,1,1]=3 25 B6R1.2 O=C1CCOC1 AC-39237 [0,0,0,0,0,0|1,1,1]=3 26 B6R1.2 O=C1CNCN1 AC-81166 [0,0,0,0,0,0|2,1,1]=4 27 B6R1.2 O=C1NCCN1 AC-81031 [0,0,0,0,0,0|2,1,1]=4 28 B6R1.2 O=C1NCCS1 AC-76781 [0,0,0,0,0,0|2,1,1]=4 29 B6R1.2 O=C1OCCO1 AC-76852 [0,0,0,0,0,0|2,1,1]=4 30 B6R1.2 OC1=NNCC1 AC-50576 [0,0,0,0,0,0|2,1,1]=4 31 B6R1.2 OC1CCOC1 AC-17899 [0,0,0,0,0,0|1,1,0]=2 32 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,0,0,0,0,0|1,1,0]=2 33 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,0,0,0,0,0|1,1,0]=2 34 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,0,0,0,0,0|1,1,0]=2 35 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,0,0,0,0,0|1,1,0]=2 36 B5R1.1 C1=CCNC1 AC-93805 [1,0,0,0,0,0|1,0,2]=4 37 B5R1.1 C1=COCC1 AC-74091 [1,0,0,0,0,0|1,0,2]=4 38 B7R1.1 BrCC1OCCO1 AC-76845 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 CNC1CCOC1 AC-87875 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 CN[C@H]1CCNC1 AC-64587 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 CO[C@@H]1CCNC1 AC-80487 [0,1,0,0,0,0|1,1,0]=3 42 B7R1.1 CO[C@H]1CCNC1 AC-80708 [0,1,0,0,0,0|1,1,0]=3 43 B7R1.1 N#CC1CCOC1 AC-44958 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 NCC1CCCC1 AC-27260 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.1 NCC1CCCC1 AC-37884 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.1 NCC1CCNC1 AC-63684 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 NNC1CCCC1 AC-27275 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.1 NNC1CCCC1 AC-75898 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.1 NNC1CCNC1 AC-75769 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 NNC1CCOC1 AC-92184 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 NNC1CCOC1 AC-95290 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 O=CC1=CCCC1 AC-80756 [0,1,0,0,0,0|0,1,2]=4 53 B7R1.1 O=CC1CCCO1 AC-31412 [0,1,0,0,0,0|1,1,0]=3 54 B7R1.1 OCC1CCCN1 AC-57969 [0,1,0,0,0,0|1,1,0]=3 55 B7R1.1 OCC1CCNC1 AC-42224 [0,1,0,0,0,0|1,1,0]=3 56 B7R1.1 OCC1COCO1 AC-89617 [0,1,0,0,0,0|2,1,0]=4 57 B7R1.1 OCC1OCCO1 AC-93064 [0,1,0,0,0,0|2,1,0]=4 58 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [0,1,0,0,0,0|1,1,0]=3 59 B7R1.1 OC[C@H]1CCCN1 AC-11286 [0,1,0,0,0,0|1,1,0]=3 60 B7R1.1 ON=C1CCCC1 AC-83680 [0,1,0,0,0,0|0,1,1]=3 61 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,1,0,0,0,0|1,1,1]=4 63 B7R1.2 CN1CCC(N)C1 AC-41458 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.2 CN1CCC(O)C1 AC-44686 [0,1,0,0,0,0|1,1,0]=3 65 B7R1.2 CN1CC[C@H](O)C1 AC-45770 [0,1,0,0,0,0|1,1,0]=3 66 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,1,0,0,0,0|0,1,1]=3 67 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,1,0,0,0,0|0,1,1]=3 68 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,1,0,0,0,0|1,1,1]=4 69 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,1,0,0,0,0|1,1,1]=4 70 B7R1.2 NN1CCC(O)C1 AC-85305 [0,1,0,0,0,0|1,1,0]=3 71 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [0,1,0,0,0,0|0,1,0]=2 72 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [0,1,0,0,0,0|0,1,0]=2 73 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,1,0,0,0,0|1,1,1]=4 74 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,1,0,0,0,0|1,1,1]=4 75 B7R1.4 BrC1=C(Br)CCC1 AC-20278 [0,1,0,0,0,0|1,0,2]=4 76 B7R1.4 CC1CCNC1=O AC-80276 [0,1,0,0,0,0|1,1,1]=4 77 B7R1.4 CC1OCCC1=O AC-16100 [0,1,0,0,0,0|1,1,1]=4 78 B7R1.4 NC1CCCC1N AC-92921 [0,1,0,0,0,0|1,0,0]=2 79 B7R1.4 NC1CCCC1O AC-74003 [0,1,0,0,0,0|0,1,0]=2 80 B7R1.4 NC1CCCC1O AC-94382 [0,1,0,0,0,0|0,1,0]=2 81 B7R1.4 NC1CCNC1=O AC-56337 [0,1,0,0,0,0|1,1,1]=4 82 B7R1.4 NC1CCNC1=O AC-84054 [0,1,0,0,0,0|1,1,1]=4 83 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [0,1,0,0,0,0|0,1,0]=2 84 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [0,1,0,0,0,0|0,1,0]=2 85 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [0,1,0,0,0,0|1,1,1]=4 86 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [0,1,0,0,0,0|0,1,0]=2 87 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [0,1,0,0,0,0|0,1,0]=2 88 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,0,0,0|1,1,1]=4 89 B7R1.4 N[C@H]1CCSC1=O AC-80263 [0,1,0,0,0,0|1,1,1]=4 90 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,1,0,0,0,0|1,1,0]=3 91 B7R1.4 O=C1NCCC1Br AC-76660 [0,1,0,0,0,0|1,1,1]=4 92 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,1,0,0,0,0|1,1,1]=4 93 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,1,0,0,0,0|1,1,1]=4 94 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,1,0,0,0,0|1,1,0]=3 95 B7R1.14 CC1(C)CCCN1 AC-46446 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.14 CC1(C)CCNC1 AC-91844 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.14 CC1(C)NCCS1 AC-14096 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.14 CC1(O)CCCC1 AC-37946 [0,1,0,0,0,0|0,1,0]=2 99 B7R1.14 CC1(O)CCNC1 AC-89720 [0,1,0,0,0,0|1,1,0]=3 100 B7R1.14 FC1(F)CCNC1 AC-18259 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.14 O=S1(=O)CCCO1 AC-85498 [0,1,0,0,0,0|2,1,0]=4 102 B5R0.1 C[C@@H](N)CCO AC-68296 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.2 CNCCC#N AC-77234 [0,0,1,0,0,0|2,0,1]=4 104 B5R0.2 NCCCCBr AC-81002 [0,0,1,0,0,0|2,0,0]=3 105 B5R0.3 CCC(N)CO AC-76788 [0,0,1,0,0,0|2,0,0]=3 106 B5R0.3 NCC(O)CO AC-15144 [0,0,1,0,0,0|2,1,0]=4 107 B5R0.3 NC[C@@H](O)CO AC-12808 [0,0,1,0,0,0|2,1,0]=4 108 B5R0.3 NC[C@H](O)CO AC-74173 [0,0,1,0,0,0|2,1,0]=4 109 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,0,1,0,0,0|2,1,0]=4 110 B7R2.13 C1NCC2CC12 AC-70909 [0,0,0,1,0,0|2,0,0]=3 111 B7R2.13 C1OCC2OC12 AC-18679 [0,0,0,1,0,0|1,1,0]=3 112 B5R1.2 BrC1CNC1 AC-70718 [0,0,0,0,1,0|2,0,0]=3 113 B5R1.2 CC1CNC1 AC-70645 [0,0,0,0,1,0|2,0,0]=3 114 B5R1.2 ClC1CNC1 AC-70638 [0,0,0,0,1,0|2,0,0]=3 115 B5R1.2 FC1CNC1 AC-39080 [0,0,0,0,1,0|2,0,0]=3 116 B5R1.2 NC1CCC1 AC-60987 [0,0,0,0,1,0|1,0,0]=2 117 B5R1.2 NC1CNC1 AC-39028 [0,0,0,0,1,0|2,0,0]=3 118 B5R1.2 NC1CNC1 AC-70603 [0,0,0,0,1,0|2,0,0]=3 119 B5R1.2 O=C1CSC1 AC-80488 [0,0,0,0,1,0|1,1,1]=4 120 B7R1.3 BrC1=CCOCC1 AC-71793 [0,0,0,0,0,1|1,0,2]=4 121 B7R1.3 BrC1CCCCC1 AC-77401 [0,0,0,0,0,1|1,0,0]=2 122 B7R1.3 BrC1CCNCC1 AC-25463 [0,0,0,0,0,1|1,0,0]=2 123 B7R1.3 CC1CNCCN1 AC-31498 [0,0,0,0,0,1|2,0,0]=3 124 B7R1.3 CC1CNCCO1 AC-39793 [0,0,0,0,0,1|2,0,0]=3 125 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [0,0,0,0,0,1|1,0,0]=2 126 B7R1.3 C[C@H]1CNCCN1 AC-10557 [0,0,0,0,0,1|2,0,0]=3 127 B7R1.3 C[C@H]1CNCCO1 AC-79261 [0,0,0,0,0,1|2,0,0]=3 128 B7R1.3 C[C@H]1COCCN1 AC-39938 [0,0,0,0,0,1|2,0,0]=3 129 B7R1.3 ClC1CCOCC1 AC-93376 [0,0,0,0,0,1|1,0,0]=2 130 B7R1.3 FC1CCCNC1 AC-23654 [0,0,0,0,0,1|1,0,0]=2 131 B7R1.3 FC1CCNCC1 AC-23653 [0,0,0,0,0,1|1,0,0]=2 132 B7R1.3 F[C@@H]1CCCNC1 AC-82716 [0,0,0,0,0,1|1,0,0]=2 133 B7R1.3 F[C@H]1CCCNC1 AC-82770 [0,0,0,0,0,1|1,0,0]=2 134 B7R1.3 NC1CCCNC1 AC-13466 [0,0,0,0,0,1|1,0,0]=2 135 B7R1.3 NN1CCCCC1 AC-22789 [0,0,0,0,0,1|2,0,0]=3 136 B7R1.3 O=C1CCNCC1 AC-76761 [0,0,0,0,0,1|0,1,1]=3 137 B7R1.3 O=C1CCOCC1 AC-15730 [0,0,0,0,0,1|0,1,1]=3 138 B7R1.3 O=S1CCOCC1 AC-96400 [0,0,0,0,0,1|1,1,0]=3 139 B7R1.3 OC1CCCNC1 AC-13470 [0,0,0,0,0,1|0,1,0]=2 140 B7R1.3 OC1CCCOC1 AC-43113 [0,0,0,0,0,1|0,1,0]=2 141 B7R1.3 OC1CCNCC1 AC-11055 [0,0,0,0,0,1|0,1,0]=2 142 B7R1.3 OC1CCOCC1 AC-40767 [0,0,0,0,0,1|0,1,0]=2 143 B7R1.3 OC1CCSCC1 AC-55374 [0,0,0,0,0,1|0,1,0]=2 144 B7R1.3 O[C@H]1CCCNC1 AC-10547 [0,0,0,0,0,1|0,1,0]=2 145 B4R0.1 CCC(O)O AC-11575 [1,0,1,0,0,0|1,1,0]=4 146 B4R0.1 CCC(O)O AC-11576 [1,0,1,0,0,0|1,1,0]=4 147 B4R0.1 C[C@H](N)CN AC-75237 [1,0,1,0,0,0|2,0,0]=4 148 B4R0.1 C[C@H](N)CO AC-14576 [1,0,1,0,0,0|2,0,0]=4 149 B4R0.2 CSCCN AC-56055 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CC(=O)CCCBr AC-77239 [0,1,1,0,0,0|0,1,1]=4 151 B6R0.4 CC(=O)CCCCl AC-35279 [0,1,1,0,0,0|0,1,1]=4 152 B6R0.4 CN(C)CCCCl AC-23395 [0,1,1,0,0,0|2,0,0]=4 153 B6R0.4 CNCCC(C)=O AC-83135 [0,1,1,0,0,0|0,1,1]=4 154 B6R0.6 BrCCCCCBr AC-23026 [0,1,1,0,0,0|1,0,0]=3 155 B6R1.5 CN1CC(O)C1 AC-70584 [0,1,0,0,1,0|1,1,0]=4 156 B6R1.6 COC1CNC1 AC-70583 [0,1,0,0,1,0|1,1,0]=4 157 B6R1.6 NCC1CCN1 AC-59672 [0,1,0,0,1,0|2,0,0]=4 158 B6R1.6 NCC1COC1 AC-40088 [0,1,0,0,1,0|2,0,0]=4 159 B6R1.6 NNC1COC1 AC-87054 [0,1,0,0,1,0|2,0,0]=4 160 B6R1.6 O=CC1COC1 AC-87999 [0,1,0,0,1,0|1,1,0]=4 161 B6R1.6 OCC1CCO1 AC-27493 [0,1,0,0,1,0|1,1,0]=4 162 B6R1.6 OCC1CNC1 AC-39034 [0,1,0,0,1,0|1,1,0]=4 163 B6R1.10 CC1(N)CCC1 AC-58834 [0,1,0,0,1,0|1,0,0]=3 164 B6R1.10 CC1(N)COC1 AC-40072 [0,1,0,0,1,0|2,0,0]=4 165 B6R1.10 CC1(N)CSC1 AC-81990 [0,1,0,0,1,0|2,0,0]=4 166 B6R1.10 FC1(F)COC1 AC-96392 [0,1,0,0,1,0|2,0,0]=4 167 B8R1.2 BrCC1CCCCC1 AC-76811 [0,1,0,0,0,1|1,0,0]=3 168 B8R1.2 BrCC1CCCCN1 AC-86847 [0,1,0,0,0,1|1,0,0]=3 169 B8R1.2 BrCC1CCNCC1 AC-40420 [0,1,0,0,0,1|1,0,0]=3 170 B8R1.2 C#CC1CCCCN1 AC-76394 [0,1,0,0,0,1|1,0,0]=3 171 B8R1.2 C#CC1CCCNC1 AC-76720 [0,1,0,0,0,1|1,0,0]=3 172 B8R1.2 CCN1CCNCC1 AC-23550 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.2 CC[C@H]1CNCCN1 AC-40317 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.2 CNC1CCCNC1 AC-13468 [0,1,0,0,0,1|1,0,0]=3 175 B8R1.2 CNC1CCNCC1 AC-89238 [0,1,0,0,0,1|1,0,0]=3 176 B8R1.2 CNC1CCOCC1 AC-44315 [0,1,0,0,0,1|1,0,0]=3 177 B8R1.2 COC1CCNCC1 AC-76977 [0,1,0,0,0,1|0,1,0]=3 178 B8R1.2 FCC1CCCNC1 AC-40494 [0,1,0,0,0,1|1,0,0]=3 179 B8R1.2 N#CC1CCCCC1 AC-27209 [0,1,0,0,0,1|1,0,0]=3 180 B8R1.2 N#CC1CCCCN1 AC-89254 [0,1,0,0,0,1|1,0,0]=3 181 B8R1.2 N#CC1CCCNC1 AC-27166 [0,1,0,0,0,1|1,0,0]=3 182 B8R1.2 N#CC1CNCCO1 AC-39820 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.2 NCC1CCCCC1 AC-35085 [0,1,0,0,0,1|1,0,0]=3 184 B8R1.2 NCC1CCCCN1 AC-73953 [0,1,0,0,0,1|1,0,0]=3 185 B8R1.2 NCC1CCOCC1 AC-15985 [0,1,0,0,0,1|1,0,0]=3 186 B8R1.2 NCC1CCSCC1 AC-75595 [0,1,0,0,0,1|1,0,0]=3 187 B8R1.2 NNC1CCCCC1 AC-43570 [0,1,0,0,0,1|1,0,0]=3 188 B8R1.2 NNC1CCCCC1 AC-87528 [0,1,0,0,0,1|1,0,0]=3 189 B8R1.2 NNC1CCCNC1 AC-75765 [0,1,0,0,0,1|1,0,0]=3 190 B8R1.2 NNC1CCNCC1 AC-75766 [0,1,0,0,0,1|1,0,0]=3 191 B8R1.2 NNC1CCNCC1 AC-75767 [0,1,0,0,0,1|1,0,0]=3 192 B8R1.2 NNC1CCOCC1 AC-43233 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.2 NNC1CCOCC1 AC-72222 [0,1,0,0,0,1|1,0,0]=3 194 B8R1.2 NNC1CCOCC1 AC-75782 [0,1,0,0,0,1|1,0,0]=3 195 B8R1.2 NNC1CCSCC1 AC-75783 [0,1,0,0,0,1|1,0,0]=3 196 B8R1.2 O=CC1CCCCO1 AC-93347 [0,1,0,0,0,1|0,1,0]=3 197 B8R1.2 O=CN1CCOCC1 AC-23730 [0,1,0,0,0,1|1,1,0]=4 198 B8R1.2 OCC1CC=CCC1 AC-88431 [0,1,0,0,0,1|0,1,1]=4 199 B8R1.2 OCC1CCCCN1 AC-13462 [0,1,0,0,0,1|0,1,0]=3 200 B8R1.2 OCC1CCCNC1 AC-13467 [0,1,0,0,0,1|0,1,0]=3 201 B8R1.2 OCC1CCCNC1 AC-75573 [0,1,0,0,0,1|0,1,0]=3 202 B8R1.2 OCC1CCNCC1 AC-13474 [0,1,0,0,0,1|0,1,0]=3 203 B8R1.2 OCC1CCSCC1 AC-43732 [0,1,0,0,0,1|0,1,0]=3 204 B8R1.2 OCC1CNCCO1 AC-42815 [0,1,0,0,0,1|1,1,0]=4 205 B8R1.2 OCC1COCCN1 AC-39826 [0,1,0,0,0,1|1,1,0]=4 206 B8R1.2 OCC1COCCN1 AC-95170 [0,1,0,0,0,1|1,1,0]=4 207 B8R1.2 OC[C@@H]1CCCNC1 AC-80407 [0,1,0,0,0,1|0,1,0]=3 208 B8R1.2 OC[C@@H]1CNCCO1 AC-79291 [0,1,0,0,0,1|1,1,0]=4 209 B8R1.2 OC[C@@H]1COCCN1 AC-79752 [0,1,0,0,0,1|1,1,0]=4 210 B8R1.2 OC[C@@H]1COCCO1 AC-81179 [0,1,0,0,0,1|1,1,0]=4 211 B8R1.2 OC[C@H]1CCCNC1 AC-75387 [0,1,0,0,0,1|0,1,0]=3 212 B8R1.2 OC[C@H]1CNCCO1 AC-80719 [0,1,0,0,0,1|1,1,0]=4 213 B8R1.2 OC[C@H]1COCCN1 AC-79676 [0,1,0,0,0,1|1,1,0]=4 214 B8R1.2 OC[C@H]1COCCO1 AC-81191 [0,1,0,0,0,1|1,1,0]=4 215 B8R1.2 ONC1CCCCC1 AC-86419 [0,1,0,0,0,1|0,1,0]=3 216 B8R1.3 CC1CCC(N)CC1 AC-15272 [0,1,0,0,0,1|1,0,0]=3 217 B8R1.3 CN1CCC(=O)CC1 AC-40555 [0,1,0,0,0,1|0,1,1]=4 218 B8R1.3 CN1CCC(Br)CC1 AC-90917 [0,1,0,0,0,1|1,0,0]=3 219 B8R1.3 CN1CCC(Cl)CC1 AC-14799 [0,1,0,0,0,1|1,0,0]=3 220 B8R1.3 CN1CCC(N)CC1 AC-15983 [0,1,0,0,0,1|1,0,0]=3 221 B8R1.3 CN1CCC(N)CC1 AC-32689 [0,1,0,0,0,1|1,0,0]=3 222 B8R1.3 CN1CCC(O)CC1 AC-31528 [0,1,0,0,0,1|0,1,0]=3 223 B8R1.3 C[C@H]1CN[C@H](C)CN1 AC-13454 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.3 NC1CCC(Br)CC1 AC-93878 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.3 NC1CCC(N)CC1 AC-92981 [0,1,0,0,0,1|1,0,0]=3 226 B8R1.3 NC1CCC(O)CC1 AC-24446 [0,1,0,0,0,1|0,1,0]=3 227 B8R1.3 NN1CCN(N)CC1 AC-96814 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AC-35402 [0,1,0,0,0,1|1,0,0]=3 229 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-13249 [0,1,0,0,0,1|0,1,0]=3 230 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-22598 [0,1,0,0,0,1|0,1,0]=3 231 B8R1.3 O=C1CCC(=O)CC1 AC-15275 [0,1,0,0,0,1|0,1,1]=4 232 B8R1.3 O=C1CCC(O)CC1 AC-37934 [0,1,0,0,0,1|0,1,0]=3 233 B8R1.3 OC1CCC(O)CC1 AC-27214 [0,1,0,0,0,1|0,1,0]=3 234 B8R1.3 OC1COC(O)CO1 AC-45373 [0,1,0,0,0,1|1,1,0]=4 235 B8R1.3 O[C@H]1CC[C@H](O)CC1 AC-77342 [0,1,0,0,0,1|0,1,0]=3 236 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,1,0,0,0,1|0,1,1]=4 237 B8R1.4 CC1CC(O)CCN1 AC-91898 [0,1,0,0,0,1|0,1,0]=3 238 B8R1.4 CC1CCNC(C)C1 AC-79794 [0,1,0,0,0,1|1,0,0]=3 239 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,1,0,0,0,1|0,1,1]=4 240 B8R1.4 CC1CN(C)CCN1 AC-94178 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.4 CC1CNCC(C)C1 AC-76556 [0,1,0,0,0,1|1,0,0]=3 242 B8R1.4 CC1CNCC(C)N1 AC-14139 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.4 CN1CCCC(=O)C1 AC-84159 [0,1,0,0,0,1|0,1,1]=4 244 B8R1.4 CN1CCCC(Br)C1 AC-84476 [0,1,0,0,0,1|1,0,0]=3 245 B8R1.4 CN1CCCC(N)C1 AC-75975 [0,1,0,0,0,1|1,0,0]=3 246 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AC-77060 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-81399 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.4 NC1CCCC(N)C1 AC-27333 [0,1,0,0,0,1|1,0,0]=3 249 B8R1.4 NC1CCCC(O)C1 AC-32513 [0,1,0,0,0,1|0,1,0]=3 250 B8R1.4 NC1CCCC(O)C1 AC-72120 [0,1,0,0,0,1|0,1,0]=3 251 B8R1.4 NC1CCNC(=O)C1 AC-24692 [0,1,0,0,0,1|0,1,1]=4 252 B8R1.4 NC1CCNC(=O)C1 AC-80838 [0,1,0,0,0,1|0,1,1]=4 253 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AC-81874 [0,1,0,0,0,1|0,1,0]=3 254 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AC-35134 [0,1,0,0,0,1|1,0,0]=3 255 B8R1.4 O=C1CC(O)CCN1 AC-65410 [0,1,0,0,0,1|0,1,1]=4 256 B8R1.5 BrC1CCCCC1Br AC-77428 [0,1,0,0,0,1|1,0,0]=3 257 B8R1.5 CC1CNCCC1O AC-42712 [0,1,0,0,0,1|0,1,0]=3 258 B8R1.5 CC1CNCCC1O AC-87939 [0,1,0,0,0,1|0,1,0]=3 259 B8R1.5 CC1CNCCN1C AC-61977 [0,1,0,0,0,1|2,0,0]=4 260 B8R1.5 CC1COCCC1=O AC-71971 [0,1,0,0,0,1|0,1,1]=4 261 B8R1.5 CC1COCCC1O AC-81397 [0,1,0,0,0,1|0,1,0]=3 262 B8R1.5 CC1CSCCC1=O AC-88127 [0,1,0,0,0,1|0,1,1]=4 263 B8R1.5 CC1NCCCC1=O AC-91259 [0,1,0,0,0,1|0,1,1]=4 264 B8R1.5 NC1CCCCC1O AC-24447 [0,1,0,0,0,1|0,1,0]=3 265 B8R1.5 NC1CCCCC1O AC-89664 [0,1,0,0,0,1|0,1,0]=3 266 B8R1.5 NC1COCCC1O AC-84168 [0,1,0,0,0,1|0,1,0]=3 267 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-35397 [0,1,0,0,0,1|0,1,0]=3 268 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-75173 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.5 N[C@@H]1CCCC[C@H]1O AC-41457 [0,1,0,0,0,1|0,1,0]=3 270 B8R1.5 N[C@H]1CCCC[C@@H]1N AC-11454 [0,1,0,0,0,1|1,0,0]=3 271 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68294 [0,1,0,0,0,1|0,1,0]=3 272 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68295 [0,1,0,0,0,1|0,1,0]=3 273 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-72095 [0,1,0,0,0,1|0,1,0]=3 274 B8R1.5 N[C@H]1CCCC[C@H]1O AC-35398 [0,1,0,0,0,1|0,1,0]=3 275 B8R1.5 O=C1CCCCC1=O AC-75172 [0,1,0,0,0,1|0,1,1]=4 276 B8R1.5 O=C1CCOCC1F AC-40744 [0,1,0,0,0,1|0,1,1]=4 277 B8R1.5 O=C1NCCCC1Br AC-80099 [0,1,0,0,0,1|0,1,1]=4 278 B8R1.5 O=C1NCCCC1O AC-80821 [0,1,0,0,0,1|0,1,1]=4 279 B8R1.5 O=C1OCCCC1Br AC-91315 [0,1,0,0,0,1|0,1,1]=4 280 B8R1.5 O=C1OCCCC1O AC-79460 [0,1,0,0,0,1|0,1,1]=4 281 B8R1.5 OC1CCNCC1F AC-82814 [0,1,0,0,0,1|0,1,0]=3 282 B8R1.5 O[C@H]1CCCC[C@H]1O AC-86707 [0,1,0,0,0,1|0,1,0]=3 283 B8R1.72 CC1(C)CNCCN1 AC-40150 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.72 CC1(N)CCOCC1 AC-79943 [0,1,0,0,0,1|1,0,0]=3 285 B8R1.72 CC1(O)CCCCC1 AC-82882 [0,1,0,0,0,1|0,1,0]=3 286 B8R1.72 C[N+]1([O-])CCOCC1 AC-76883 [0,1,0,0,0,1|1,1,0]=4 287 B8R1.72 FC1(F)CCCNC1 AC-23279 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.72 FC1(F)CCNCC1 AC-18254 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.72 FC1(F)CCNCC1 AC-40455 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.72 O=S1(=O)CCNCC1 AC-53231 [0,1,0,0,0,1|1,1,0]=4 291 B8R1.72 O=S1(=O)CCNCC1 AC-80813 [0,1,0,0,0,1|1,1,0]=4 292 B8R1.72 OC1(O)CCNCC1 AC-23995 [0,1,0,0,0,1|0,1,0]=3 293 B8R1.1 CCN1CCC(N)C1 AC-75908 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.1 CN1CCC(CN)C1 AC-58269 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.1 CNC1CCN(C)C1 AC-19409 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.7 CC(N)C1CCCC1 AC-75897 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.7 CN(C)C1CCNC1 AC-28383 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.7 CN(C)C1CCNC1 AC-83991 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.7 CN(C)[C@@H]1CCNC1 AC-45736 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.7 NC(=O)C1CCCN1 AC-56570 [0,2,0,0,0,0|1,1,0]=4 301 B8R1.7 NC(=O)C1CCCO1 AC-81426 [0,2,0,0,0,0|1,1,0]=4 302 B8R1.7 NC(=O)C1CCNC1 AC-91916 [0,2,0,0,0,0|1,1,0]=4 303 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-11445 [0,2,0,0,0,0|1,1,0]=4 304 B8R1.7 O=C(O)C1CCCC1 AC-27255 [0,2,0,0,0,0|0,1,0]=3 305 B8R1.7 O=C(O)C1CCCN1 AC-19172 [0,2,0,0,0,0|1,1,0]=4 306 B8R1.7 O=C(O)C1CCOC1 AC-44952 [0,2,0,0,0,0|1,1,0]=4 307 B8R1.7 O=C(O)[C@@H]1CCOC1 AC-63073 [0,2,0,0,0,0|1,1,0]=4 308 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [0,2,0,0,0,0|1,1,0]=4 309 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [0,2,0,0,0,0|1,1,0]=4 310 B8R1.7 O=C(O)[C@H]1CCNC1 AC-20499 [0,2,0,0,0,0|1,1,0]=4 311 B8R1.7 O=C(O)[C@H]1CCNC1 AC-63692 [0,2,0,0,0,0|1,1,0]=4 312 B8R1.7 O=C(O)[C@H]1CCOC1 AC-85377 [0,2,0,0,0,0|1,1,0]=4 313 B8R1.7 OB(O)C1CCCC1 AC-17942 [0,2,0,0,0,0|0,1,0]=3 314 B8R1.8 BrCCN1CCCC1 AC-85390 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.8 BrCCN1CCCC1 AC-88500 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.8 BrCCN1CCCC1 AC-93553 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.8 ClCCN1CCCC1 AC-11213 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.8 ClCCN1CCCC1 AC-25775 [0,2,0,0,0,0|2,0,0]=4 319 B8R1.8 N#CCN1CCCC1 AC-50386 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.8 NCCC1CCCC1 AC-27258 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.8 NCCN1CCCC1 AC-93744 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.8 NOCC1CCCC1 AC-95371 [0,2,0,0,0,0|0,1,0]=3 323 B8R1.8 OCCC1CCCC1 AC-27271 [0,2,0,0,0,0|0,1,0]=3 324 B8R1.8 OCCC1CCNC1 AC-63685 [0,2,0,0,0,0|1,1,0]=4 325 B8R1.8 OCCC1CCNC1 AC-90593 [0,2,0,0,0,0|1,1,0]=4 326 B8R1.11 C#CC1CCCC1O AC-92406 [0,2,0,0,0,0|0,1,0]=3 327 B8R1.11 CN1CCCC1CN AC-55593 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.11 N#CC1CCCC1=O AC-17940 [0,2,0,0,0,0|0,1,1]=4 329 B8R1.11 NN1CCC[C@H]1CO AC-83371 [0,2,0,0,0,0|1,1,0]=4 330 B8R1.52 NCC1(O)CCCC1 AC-42703 [0,2,0,0,0,0|0,1,0]=3 331 B8R1.51 NC1CCC(F)(F)C1 AC-87957 [0,2,0,0,0,0|1,0,0]=3 332 B8R1.51 NC1CCS(=O)(=O)C1 AC-46220 [0,2,0,0,0,0|1,1,0]=4 333 B8R1.51 O=S1(=O)CCC(Br)C1 AC-61245 [0,2,0,0,0,0|1,1,0]=4 334 B8R1.19 CC1(C)CCCC1=O AC-92916 [0,2,0,0,0,0|0,1,1]=4 335 B6R1.3 BrCCC1CC1 AC-71739 [0,0,1,1,0,0|2,0,0]=4 336 B6R1.3 CNCC1CC1 AC-44560 [0,0,1,1,0,0|2,0,0]=4 337 B6R1.3 ICCC1CC1 AC-87442 [0,0,1,1,0,0|2,0,0]=4 338 B6R1.11 CC(N)C1CC1 AC-43331 [0,0,1,1,0,0|1,0,0]=3 339 B6R1.11 CC(N)C1CC1 AC-72240 [0,0,1,1,0,0|1,0,0]=3 340 B6R1.1 C1CSCCN1 AC-86787 [0,0,1,1,0,0|1,0,0]=3 341 B6R1.7 NCC1(N)CC1 AC-92348 [0,0,1,1,0,0|2,0,0]=4 342 B6R1.7 OCC1(F)CC1 AC-93892 [0,0,1,1,0,0|2,0,0]=4 343 B8R2.11 NC1C2COCC12 AC-83825 [0,0,0,1,0,1|1,0,0]=3 344 B4R1.2 BrC1CC1 AC-17947 [0,0,0,0,2,0|1,0,0]=3 345 B4R1.2 C[C@@H]1CO1 AC-13228 [0,0,0,0,2,0|2,0,0]=4 346 B4R1.2 C[C@H]1CO1 AC-13231 [0,0,0,0,2,0|2,0,0]=4 347 B8R1.22 O=C1CCCCNC1 AC-81448 [0,0,0,0,0,2|0,1,1]=4