0 B11R1.40 CC(C#N)NC1=CC=CC=C1 AC-88942 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 COC(=N)CC1=CC=CC=C1 AC-95822 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 COC(=O)CC1=CC=CN=C1 AC-72096 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 NC(CO)CC1=CC=CC=C1 AC-76906 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NNC(=O)CC1=CC=NC=C1 AC-79701 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 AC-83729 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-11522 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 O=C(CBr)CC1=CC=CC=C1 AC-75854 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 BrCCOC1=CC=CC=C1 AC-23943 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCCCC1=CC=NC=C1 AC-79321 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CCCCC1=NC=CN=C1 AC-82887 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 CCCCC1=NN=CC=C1 AC-79369 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 CCCCC1=NN=CC=C1 AC-91228 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 CCNCC1=CC=CC=C1 AC-23535 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CCNCC1=NC=CC=C1 AC-41270 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CNCCC1=CC=CN=C1 AC-86271 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.17 ClCSCC1=CC=CC=C1 AC-94728 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 N#CCNC1=CC=CC=C1 AC-64031 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 NCCCC1=CC=NC=C1 AC-58135 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 NCCCC1=NC=CC=C1 AC-81362 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 NCCNC1=CC=CC=C1 AC-23964 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 OCCCC1=CC=CC=C1 AC-90879 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 OCCCC1=CC=CN=C1 AC-63756 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 OCCCC1=NC=CC=C1 AC-72227 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 CC(=O)CC1=CC=CN=C1 AC-86273 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 CC(=O)CC1=CC=NC=C1 AC-20022 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 CC(=O)CC1=NC=CC=C1 AC-56618 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 CC(Br)CC1=CC=CC=C1 AC-91740 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.18 CC(C)=CC1=CC=CC=C1 AC-94041 [1,0,0,0,0,0|0,0,2]=3 29 B10R1.18 CC(C)NC1=CC=CC=C1 AC-13673 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.18 CC(C)NC1=CC=NC=C1 AC-91115 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.18 CC(C)NC1=NC=CN=C1 AC-87498 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.18 CC(C)OC1=NC=CC=C1 AC-83952 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.18 FC(F)OC1=CC=CC=C1 AC-83043 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.18 NC(=O)CC1=CC=CC=C1 AC-64120 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.18 NC(=O)CC1=CC=CN=C1 AC-82928 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.18 NC(=O)NC1=CC=CC=C1 AC-76979 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.32 CN(CCN)CC1=CC=CC=C1 AC-57957 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.32 CN(CCO)CC1=CC=CC=C1 AC-80118 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 AC-76236 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 AC-83053 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 AC-94487 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 AC-14792 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AC-59199 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 AC-38667 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 AC-38666 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 AC-20237 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 AC-86700 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O AC-64126 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-23950 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-89007 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-10595 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 AC-93737 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 AC-67256 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-12701 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-12702 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.49 CNC(=O)NC1=CC=C(O)C=C1 AC-81703 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AC-30787 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC-14352 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.50 CCC(C)SC1=NC=CC(Cl)=C1 AC-95911 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 AC-30786 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 AC-90989 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 AC-94723 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.118 COC(CC1=NC=CC=C1)OC AC-88659 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.118 NCC(CO)CC1=CC=CC=C1 AC-86314 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.371 COC(=O)CC1=CC=CC=C1Br AC-72674 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.371 COC(=O)CC1=CC=CC=C1F AC-67905 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.371 COC(=O)CC1=CC=CC=C1I AC-85873 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.371 COC(=O)CC1=CC=CC=C1N AC-86605 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.371 NC(CO)CC1=CC=CC=C1F AC-87377 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.18 CC1CC2=C(C=CC=C2)C1=O AC-39381 [0,0,0,1,0,0|2,0,0]=3 71 B12R2.18 CC1CC2=C(C=CC=C2)N1N AC-11735 [0,0,0,1,0,0|1,0,0]=2 72 B12R2.18 CC1CC2=C(C=CC=C2)N1N AC-32637 [0,0,0,1,0,0|1,0,0]=2 73 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 AC-75973 [0,0,0,1,0,0|1,0,1]=3 74 B12R2.18 CN1C(=O)NC2=CC=CC=C21 AC-75955 [0,0,0,1,0,0|2,0,1]=4 75 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 AC-80940 [0,0,0,1,0,0|1,0,2]=4 76 B12R2.18 CN1C2=CC=CC=C2N=C1Br AC-76259 [0,0,0,1,0,0|2,0,1]=4 77 B12R2.18 NC1C2=C(C=CC=C2)CC1O AC-39374 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O AC-13235 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O AC-81411 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O AC-12978 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br AC-25052 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 CC1CC2=C(C=CC=C2)CN1 AC-41390 [0,0,0,1,0,0|0,0,0]=1 83 B12R2.24 CC1CCC2=C(C=CC=C2)N1 AC-92540 [0,0,0,1,0,0|2,0,0]=3 84 B12R2.24 CC1CCC2=C(C=CC=N2)C1 AC-88413 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AC-92541 [0,0,0,1,0,0|2,0,0]=3 86 B12R2.24 CN1CCC2=C(C=CC=C2)C1 AC-95591 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 NC1CCC2=C(C=CC=C2)C1 AC-80418 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AC-91183 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 NC1COC2=C(C=CC=C2)C1 AC-93251 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 NN1CCC2=C(C=CC=C2)C1 AC-84934 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 AC-10639 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-21974 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.24 OC1COC2=C(C=CC=C2)C1 AC-85844 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.27 C#CC1CC1C2=CC=CC=C2 AC-93837 [0,0,0,1,0,0|1,0,1]=3 95 B12R2.32 OCC1CC2=C(C=CC=C2)C1 AC-88530 [0,0,0,1,0,0|2,0,0]=3 96 B10R1.15 C#CC(O)C1=CC=CC=C1 AC-82932 [0,0,0,0,1,0|2,0,1]=4 97 B10R1.15 CC(CN)C1=CC=CC=C1 AC-76879 [0,0,0,0,1,0|2,0,0]=3 98 B10R1.15 CCC(=O)C1=CC=CC=C1 AC-15135 [0,0,0,0,1,0|2,0,1]=4 99 B10R1.15 CCC(N)C1=CC=CN=C1 AC-81475 [0,0,0,0,1,0|3,0,0]=4 100 B10R1.15 CCC(N)C1=NC=CC=C1 AC-85412 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.15 CNC(C)C1=CC=CC=C1 AC-75895 [0,0,0,0,1,0|0,0,0]=1 102 B10R1.15 CNC(C)C1=CC=CC=C1 AC-92088 [0,0,0,0,1,0|0,0,0]=1 103 B10R1.15 CNC(C)C1=CC=NC=C1 AC-57441 [0,0,0,0,1,0|1,0,0]=2 104 B10R1.15 N#CC(N)C1=CC=CC=C1 AC-83867 [0,0,0,0,1,0|3,0,0]=4 105 B10R1.15 N#CC(N)C1=CC=CC=C1 AC-92943 [0,0,0,0,1,0|3,0,0]=4 106 B10R1.15 NCC(N)C1=CC=CC=C1 AC-38860 [0,0,0,0,1,0|3,0,0]=4 107 B10R1.15 NCC(O)C1=CC=CC=C1 AC-76221 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.15 NNC(=O)C1=CC=CC=C1 AC-33227 [0,0,0,0,1,0|2,0,1]=4 109 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-11520 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-11521 [0,0,0,0,1,0|3,0,0]=4 111 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-38862 [0,0,0,0,1,0|3,0,0]=4 112 B10R1.15 OC(CBr)C1=CC=CC=C1 AC-77224 [0,0,0,0,1,0|3,0,0]=4 113 B12R1.27 CC(CCl)CNC1=CC=CC=C1 AC-93249 [0,0,0,0,0,1|2,0,0]=3 114 B12R1.27 CCC(=O)OCC1=CC=CC=C1 AC-86751 [0,0,0,0,0,1|2,0,1]=4 115 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 AC-75587 [0,0,0,0,0,1|2,0,0]=3 116 B12R1.27 NNC(=O)OCC1=CC=CC=C1 AC-15263 [0,0,0,0,0,1|2,0,1]=4 117 B12R1.27 O=C(NO)OCC1=CC=CC=C1 AC-22907 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.27 OC(CCl)COC1=CC=CC=C1 AC-90095 [0,0,0,0,0,1|3,0,0]=4 119 B12R1.27 OCC(O)COC1=CC=CC=C1 AC-23947 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.8 BrCCC1=CC=CC=C1 AC-10988 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 BrCCC1=NC=CC=C1 AC-24894 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 BrCCC1=NC=CC=C1 AC-33015 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 CCCC1=CC=NC=C1 AC-12668 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.8 CCNC1=NC=CC=C1 AC-28871 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.8 CCOC1=NC=CC=C1 AC-11163 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.8 CNCC1=CC=CN=C1 AC-31451 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.8 CNCC1=CC=NC=C1 AC-41285 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 CNCC1=CC=NC=C1 AC-92743 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.8 CNCC1=NC=CC=C1 AC-41284 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.8 CNCC1=NC=CN=C1 AC-90842 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.8 CNNC1=CC=CC=C1 AC-86441 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.8 COCC1=NC=CC=C1 AC-30327 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 NCCC1=CC=CN=C1 AC-10206 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.8 NCCC1=CC=CN=C1 AC-95294 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.8 NCCC1=NC=CC=C1 AC-22649 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.8 NCCC1=NC=CC=N1 AC-94495 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 NNCC1=CC=CC=C1 AC-75839 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 NNCC1=CC=CN=C1 AC-75992 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 NNCC1=CC=NC=C1 AC-69402 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 NNCC1=CC=NC=C1 AC-75993 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 NNCC1=NC=CC=C1 AC-75991 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 NOCC1=CC=CC=C1 AC-13722 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.8 OCCC1=CC=CN=C1 AC-17846 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.8 OCCC1=NC=CC=C1 AC-57914 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 ONCC1=CC=CC=C1 AC-45409 [2,0,0,0,0,0|1,0,0]=3 146 B11R1.1 CCCCC1=CC=C(Br)C=C1 AC-33706 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.1 CCCCC1=CC=C(I)C=C1 AC-77139 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.1 CCCOC1=CC=C(Br)C=C1 AC-85336 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.1 CCCOC1=CC=C(O)C=C1 AC-10967 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.1 CCNCC1=CC=C(Br)C=C1 AC-38745 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.1 CCNCC1=CC=C(Cl)C=C1 AC-38746 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.1 CCNCC1=CC=C(Cl)C=C1 AC-88177 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.1 CNCCC1=CC=C(Br)C=C1 AC-95450 [1,1,0,0,0,0|0,0,0]=2 154 B11R1.1 CNCCC1=CC=C(C)C=C1 AC-92276 [1,1,0,0,0,0|0,0,0]=2 155 B11R1.1 CNCCC1=CC=C(Cl)C=C1 AC-38790 [1,1,0,0,0,0|0,0,0]=2 156 B11R1.1 CNCCC1=CC=C(F)C=C1 AC-93825 [1,1,0,0,0,0|0,0,0]=2 157 B11R1.1 CNCCC1=CC=C(O)C=C1 AC-86530 [1,1,0,0,0,0|0,0,0]=2 158 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 AC-34962 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.1 N#CCCC1=CC=C(Br)C=C1 AC-18561 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AC-59478 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.16 CCCC(N)C1=NC=CC=C1 AC-34690 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.16 N#CCC(O)C1=CC=CC=C1 AC-59838 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.16 NC(CCO)C1=CC=CC=C1 AC-32476 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.16 NCCC(O)C1=CC=CC=C1 AC-79691 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC-66687 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 AC-14427 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.17 CCCCC1=CC=CC=C1Br AC-96717 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.17 CCCCC1=CC=CC=C1N AC-88454 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.17 CCCOC1=CC=CC=C1O AC-89578 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.17 CCNCC1=CC=CC=C1O AC-86121 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.17 CNCCC1=CC=CC=C1O AC-90214 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.17 N#CCCC1=CC=CC=C1Cl AC-93353 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.17 OCCCC1=CC=CC=C1Br AC-25432 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.17 OCCCC1=CC=CC=C1O AC-85673 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.24 CCNCC1=CC(O)=CC=C1 AC-92385 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.24 CCNCC1=CC=CC(Br)=C1 AC-38744 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AC-86783 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.24 CNCCC1=CC=CC(Cl)=C1 AC-38789 [1,1,0,0,0,0|0,0,0]=2 179 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 AC-85446 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.24 OCCCC1=CC(O)=CC=C1 AC-92950 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.28 BrCCCOC1=CC=CC=C1 AC-34539 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.28 BrCCOCC1=CC=CC=C1 AC-73705 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.28 CNC\C=C\C1=CC=CC=C1 AC-83868 [1,1,0,0,0,0|0,0,1]=3 184 B11R1.28 NCCNCC1=CC=CC=C1 AC-22878 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.28 NCCOCC1=CC=CC=C1 AC-76963 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.28 O=CCOCC1=CC=CC=C1 AC-81292 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.28 OCCCCC1=CC=NC=C1 AC-41310 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 AC-80706 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-20976 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 AC-23640 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.20 CC(C)CC1=CC=C(N)C=C1 AC-83816 [1,1,0,0,0,0|0,0,0]=2 192 B11R1.20 CC(C)NC1=CC=C(F)C=C1 AC-80586 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 AC-59416 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 AC-91932 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 AC-76049 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 AC-75835 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 AC-75245 [1,1,0,0,0,0|0,0,1]=3 198 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 AC-41193 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.36 CC(C)C(Br)C1=CC=CC=C1 AC-88554 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.36 CC(C)C(N)C1=NC=CC=C1 AC-92437 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 AC-32405 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 AC-83167 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.86 CC(=O)CC1=CC=CC=C1Cl AC-26465 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.86 CC(=O)CC1=CC=CC=C1F AC-29612 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.86 CC(C)CC1=C(Br)C=NC=C1 AC-94714 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.86 CC(C)OC1=CC=CC=C1Br AC-34536 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.86 CC(C)OC1=CC=CC=C1N AC-38510 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.86 CC(C)OC1=CC=CN=C1Cl AC-86238 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.86 CC(C)OC1=NC=CC=C1Cl AC-84975 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.86 CC(C)OC1=NC=CC=C1I AC-83240 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.86 CN(C)CC1=CC=CC=C1Br AC-59417 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.86 CN(C)CC1=CC=CC=C1N AC-87548 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.86 CN(C)CC1=NC=CC=C1O AC-28356 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.86 NC(=O)CC1=CC=CC=C1Br AC-83818 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 AC-75687 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 AC-82941 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 AC-35116 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.157 CC(=O)CC1=CC=CC(I)=C1 AC-87681 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.157 CC(C)CC1=CC(N)=CC=C1 AC-79953 [1,1,0,0,0,0|0,0,0]=2 220 B11R1.157 CC(C)CC1=CC=CC(Br)=N1 AC-93506 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.157 CC(C)CC1=CC=CC(O)=N1 AC-86281 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.157 CC(C)CC1=NC=CC(F)=C1 AC-94713 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.157 CC(C)NC1=NC=CC(Br)=C1 AC-84246 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.157 CC(C)OC1=CC(Br)=CC=C1 AC-33724 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.157 CC(C)OC1=CC(Br)=NC=C1 AC-84728 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AC-56758 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 AC-76033 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.509 CC(C)(N)CC1=NC=CC=C1 AC-95839 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 AC-88312 [1,1,0,0,0,0|1,1,0]=4 230 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 AC-83667 [1,1,0,0,0,0|0,1,0]=3 231 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 AC-34070 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 AC-38662 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.7 COC(O)(O)C1=CC=CC=C1 AC-89931 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.12 CCC(NN)C1=CC=CC=C1 AC-91484 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.12 COC(CO)C1=CC=CC=C1 AC-82924 [0,1,0,0,1,0|1,0,0]=3 236 B11R1.12 COC(OC)C1=CC=CC=C1 AC-33207 [0,1,0,0,1,0|1,0,0]=3 237 B11R1.12 OCC(CO)C1=CC=CC=C1 AC-20194 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.22 CCC(N)C1=CC=C(F)C=C1 AC-91805 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.22 CNC(=O)C1=CC=C(F)C=C1 AC-29495 [0,1,0,0,1,0|1,0,1]=4 240 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 AC-94312 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.23 CCC(N)C1=CC=CC(F)=C1 AC-83298 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.23 CCC(O)C1=CC=CC(F)=C1 AC-83109 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 AC-53906 [0,1,0,0,1,0|1,0,1]=4 244 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 AC-24616 [0,1,0,0,1,0|1,0,1]=4 245 B11R1.23 CNC(C)C1=CC=CC(Cl)=C1 AC-95593 [0,1,0,0,1,0|0,0,0]=2 246 B11R1.222 CCC(C)C1=CC=CC=C1Br AC-90206 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.222 CCC(N)C1=CC=CC=C1C AC-88096 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C AC-80318 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.222 CNC(=O)C1=CC=CC=C1Br AC-57611 [0,1,0,0,1,0|1,0,1]=4 250 B11R1.222 CNC(=O)C1=CC=CC=C1N AC-38066 [0,1,0,0,1,0|1,0,1]=4 251 B13R1.417 OCC(CO)OCC1=CC=CC=C1 AC-33143 [0,1,0,0,0,1|2,0,0]=4 252 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O AC-76053 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.5 CCC(C)OC1=CC=C(CO)C=C1 AC-82322 [0,2,0,0,0,0|2,0,0]=4 254 B13R1.145 CCN(CC)CC1=CC=C(N)C=C1 AC-89650 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 AC-14040 [0,2,0,0,0,0|2,0,0]=4 256 B11R2.1 CN1C=CC2=C1C=CC=C2 AC-13481 [1,0,0,1,0,0|0,0,2]=4 257 B11R2.1 CN1C=NC2=CC=CC=C21 AC-14085 [1,0,0,1,0,0|1,0,1]=4 258 B11R2.1 CN1N=CC2=C1C=CC=C2 AC-43239 [1,0,0,1,0,0|1,0,1]=4 259 B11R2.1 NC1CCC2=C1C=CC=C2 AC-20254 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.1 NC1CCC2=C1C=CC=C2 AC-39373 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AC-68865 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.1 O=C1CCC2=C1C=CC=C2 AC-14690 [1,0,0,1,0,0|2,0,0]=4 263 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 AC-83064 [1,0,0,1,0,0|2,0,0]=4 264 B11R2.20 C1=CC2=C(C=C1)COCC2 AC-76958 [1,0,0,1,0,0|1,0,0]=3 265 B11R2.20 C1=CC2=C(C=N1)CCCC2 AC-89576 [1,0,0,1,0,0|2,0,0]=4 266 B11R2.20 C1=CC2=C(C=N1)CCNC2 AC-80043 [1,0,0,1,0,0|1,0,0]=3 267 B11R2.20 C1=CC2=C(C=N1)CCNC2 AC-94483 [1,0,0,1,0,0|1,0,0]=3 268 B11R2.20 C1=CC2=C(C=N1)CNCC2 AC-81083 [1,0,0,1,0,0|1,0,0]=3 269 B11R2.20 C1=CC2=C(CCCC2)N=C1 AC-11253 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.20 C1=CC2=C(CCNC2)N=C1 AC-39975 [1,0,0,1,0,0|1,0,0]=3 271 B11R2.20 C1=CC2=C(CCNC2)N=C1 AC-83959 [1,0,0,1,0,0|1,0,0]=3 272 B11R2.20 C1=NC=NC2=C1CNCC2 AC-94459 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.238 C1=CC=C(CC2=NC2)C=C1 AC-83751 [1,0,0,1,0,0|0,0,2]=4 274 B11R2.238 C1=CC=C(SC2CC2)C=C1 AC-20420 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.239 C1=CC=C(C2CNC2)C=C1 AC-39099 [1,0,0,1,0,0|0,0,0]=2 276 B11R2.10 BrC1CC2=C(C=CC=C2)C1 AC-95153 [1,0,0,1,0,0|1,0,0]=3 277 B11R2.10 CC1=CC2=C(C=CC=C2)N1 AC-31060 [1,0,0,1,0,0|0,0,2]=4 278 B11R2.10 CC1=NC2=CC=CC=C2N1 AC-14228 [1,0,0,1,0,0|1,0,1]=4 279 B11R2.10 CC1CC2=C(C=CC=C2)N1 AC-13730 [1,0,0,1,0,0|0,0,0]=2 280 B11R2.10 CC1CC2=CC=CC=C2O1 AC-92899 [1,0,0,1,0,0|1,0,0]=3 281 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AC-13485 [1,0,0,1,0,0|1,0,1]=4 282 B11R2.10 OC1CC2=C(C=CC=C2)C1 AC-14001 [1,0,0,1,0,0|1,0,0]=3 283 B11R2.10 ON1CC2=C(C=CC=C2)C1 AC-87740 [1,0,0,1,0,0|2,0,0]=4 284 B11R2.36 CC1CC2=C(C=CS2)CN1 AC-90344 [0,0,0,1,1,0|1,0,0]=3 285 B13R2.10 CC1COC(C2=CC=CC=C2)O1 AC-91745 [0,0,0,1,0,1|2,0,0]=4 286 B13R2.57 NCC1CC2=C(C=CC=C2)CN1 AC-87524 [0,0,0,1,0,1|2,0,0]=4 287 B13R2.57 NCC1COC2=C(C=CC=C2)C1 AC-75549 [0,0,0,1,0,1|2,0,0]=4 288 B13R2.57 OCC1CC2=C(C=CC=C2)CN1 AC-63060 [0,0,0,1,0,1|2,0,0]=4 289 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 AC-54057 [0,0,0,1,0,1|2,0,0]=4 290 B13R2.2531 CCC1(C)C=NC2=C1C=CC=C2 AC-89933 [0,0,0,1,0,1|1,0,1]=4 291 B13R2.15 CC1=NCCC1C2=CC=CC=C2 AC-95940 [0,1,0,1,0,0|0,0,2]=4 292 B13R2.64 C1=CC(CC2OCCO2)=CC=N1 AC-94545 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 AC-81264 [0,1,0,1,0,0|0,0,0]=2 294 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 AC-91622 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 AC-93032 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.64 C1=CN=C(O[C@@H]2CCNC2)C=C1 AC-86346 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.64 C1=CN=CC(CC2OCCO2)=C1 AC-94552 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 AC-66287 [0,1,0,1,0,0|0,0,2]=4 299 B13R2.444 OC(CC1=CC=CC=C1)C2CC2 AC-75899 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.45 CN1C(CO)=CC2=C1C=CC=C2 AC-59615 [0,1,0,1,0,0|0,0,2]=4 301 B13R2.45 CN1C2=CC=CC=C2N=C1CBr AC-57625 [0,1,0,1,0,0|1,0,1]=4 302 B13R2.45 CN1C2=CC=CC=C2N=C1CCl AC-26177 [0,1,0,1,0,0|1,0,1]=4 303 B13R2.45 CN1C2=CC=CC=C2N=C1CCl AC-83145 [0,1,0,1,0,0|1,0,1]=4 304 B13R2.45 CNC1=CC2=C(C=CC=C2)N1C AC-92465 [0,1,0,1,0,0|0,0,2]=4 305 B13R2.3085 CN1C(=O)C(Br)C2=C1C=CC=C2 AC-89912 [0,1,0,1,0,0|1,0,1]=4 306 B13R2.369 CN1CC2=C(C=CC=C2)CC1=O AC-92474 [0,1,0,1,0,0|1,0,1]=4 307 B13R2.3028 CC1CC2=C(C=C(Br)C=C2)C1=O AC-92261 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.3028 CN1C(=O)CC2=C1C=C(Cl)C=C2 AC-88243 [0,1,0,1,0,0|1,0,1]=4 309 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 AC-70290 [0,1,0,1,0,0|1,0,1]=4 310 B13R2.3683 CC1CCC2=C(C=CC(Br)=C2)N1 AC-87626 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.3683 CC1CCC2=C(C=CC(F)=C2)N1 AC-29736 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.3683 CN1CCC2=C(C=CC(Br)=C2)C1 AC-90559 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 AC-33601 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-26916 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-35326 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.3683 NC1CCC2=C(C=CC(F)=C2)C1 AC-92638 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 AC-82131 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.3683 OC1CCC2=C(C=CC(F)=C2)C1 AC-87734 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.155 CC1CNC2=C(C=C(Br)C=C2)C1 AC-94009 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.155 CN1CCC2=C(C=C(O)C=C2)C1 AC-75788 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.155 NC1CCC2=C(C=C(Br)C=C2)C1 AC-33597 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.155 NC1CCC2=C(C=C(F)C=C2)C1 AC-84745 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.4856 CC1CC2=C(C1=O)C(Br)=CC=C2 AC-82231 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.4856 CC1CC2=C(C1=O)C(F)=CC=C2 AC-90327 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.4856 CN1C(=O)CC2=C1C(N)=CC=C2 AC-88506 [0,1,0,1,0,0|1,0,1]=4 326 B13R2.5190 CN1C(=O)CC2=C1C=CC(Cl)=C2 AC-90671 [0,1,0,1,0,0|1,0,1]=4 327 B13R2.103 NC1(CO)CC2=C(C=CC=C2)C1 AC-91870 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.222 CC1(C)CC2=C(C=CC=C2)CN1 AC-89350 [0,1,0,1,0,0|0,0,0]=2 329 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C AC-92353 [0,1,0,1,0,0|1,0,1]=4 330 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br AC-70348 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.12 CCCCC1=CSC=C1 AC-83170 [1,0,0,0,1,0|2,0,0]=4 332 B9R1.6 CC(=O)C1=CC=CC=C1 AC-74174 [1,0,0,0,1,0|1,0,1]=4 333 B9R1.6 CC(N)C1=CC=CC=C1 AC-32241 [1,0,0,0,1,0|0,0,0]=2 334 B9R1.6 CC(N)C1=CC=NN=C1 AC-69280 [1,0,0,0,1,0|2,0,0]=4 335 B9R1.6 CC(O)C1=CC=CN=C1 AC-41175 [1,0,0,0,1,0|2,0,0]=4 336 B9R1.6 CC(O)C1=NC=CC=C1 AC-41174 [1,0,0,0,1,0|2,0,0]=4 337 B9R1.6 CN(C)C1=CC=NC=C1 AC-11024 [1,0,0,0,1,0|2,0,0]=4 338 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AC-13616 [1,0,0,0,1,0|0,0,0]=2 339 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC-81041 [1,0,0,0,1,0|1,0,0]=3 340 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC-64050 [1,0,0,0,1,0|1,0,0]=3 341 B9R1.6 C[C@H](N)C1=CC=CC=C1 AC-13614 [1,0,0,0,1,0|0,0,0]=2 342 B9R1.6 N=C(N)C1=CC=CC=C1 AC-76838 [1,0,0,0,1,0|1,0,1]=4 343 B9R1.6 N=C(N)C1=CC=CC=C1 AC-93565 [1,0,0,0,1,0|1,0,1]=4 344 B9R1.6 NC(=O)C1=CC=CC=C1 AC-77263 [1,0,0,0,1,0|1,0,1]=4 345 B9R1.13 CC(C)CC1=NC=CS1 AC-13525 [1,0,0,0,1,0|2,0,0]=4 346 B9R1.13 CN(C)C=C1C=CC=C1 AC-87918 [1,0,0,0,1,0|1,0,1]=4 347 B9R1.13 CN(C)CC1=CC=CN1 AC-53235 [1,0,0,0,1,0|2,0,0]=4