0 B11R1.41 CCNC1=CC=CC=C1C=O AC-94100 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CCOC1=CC=CC=C1C=O AC-23499 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 CCOC1=CC=CC=C1CN AC-28689 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.41 CCOC1=CC=CC=C1CO AC-93703 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CNCC1=CC=CC=C1OC AC-59468 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.41 CNCC1=NC=CC=C1OC AC-82011 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.41 COC1=CC=CC=C1CC=O AC-30410 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.41 COC1=CC=CC=C1CCN AC-64937 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.41 COC1=CC=CC=C1CCO AC-72436 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.41 COC1=CC=CC=C1CNN AC-88510 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.41 N#CC1=CC=CC=C1CC=O AC-88889 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.41 N#CC1=CC=CC=C1CCO AC-38480 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.41 N#CCC1=CC=CC=C1C#N AC-27137 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.4 CC1=CC=CC=C1CC#N AC-75241 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.4 CCNC1=CC=CC=C1C AC-91623 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 CCOC1=CC=CC=C1Br AC-25393 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CCOC1=CC=CC=C1O AC-23517 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 CNCC1=CC=CN=C1C AC-71539 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.4 CNCC1=NC=CC=C1C AC-87313 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 COCC1=CC=CC=C1Br AC-75841 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.4 ClC1=CC=CC=C1CCBr AC-38231 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.4 N#CCC1=CC=CC=C1Br AC-33883 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.4 N#CCC1=CC=CC=C1I AC-23796 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.4 NC1=CC=CC=C1CCO AC-32173 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 NCCC1=CC=CC=C1Br AC-25392 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.4 NCCC1=CC=CC=C1Cl AC-17496 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.4 NCCC1=CC=CC=C1F AC-38427 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.4 NCCC1=CC=CC=C1N AC-88322 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.4 NCCC1=CC=CC=C1O AC-32404 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.4 NOCC1=CC=CC=C1Cl AC-73620 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 O=CCC1=CC=CC=C1O AC-90670 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.4 OCCC1=CC=CC=C1Br AC-33636 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.4 OCCC1=CC=CC=C1I AC-86393 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.20 BrCC1=CC=CC=C1CBr AC-76976 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.20 C#CC1=CC=CC=C1OC AC-80038 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.20 C#CC1=CC=CN=C1OC AC-82854 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.20 CCC1=CC=CC=C1C=O AC-76381 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.20 CCC1=CC=CC=C1NN AC-14632 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.20 CNC1=CC=CC=C1C=O AC-80356 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.20 CNC1=CC=CC=C1OC AC-80252 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.20 CNC1=NC=CC=C1CO AC-30656 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.20 COC1=C(C#N)C=CC=N1 AC-30350 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.20 COC1=C(C#N)C=NC=C1 AC-30492 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.20 COC1=C(C=O)C=CN=C1 AC-90896 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.20 COC1=C(C=O)C=NC=C1 AC-30499 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.20 COC1=C(CBr)C=NC=C1 AC-76494 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.20 COC1=C(CN)C=CN=C1 AC-82679 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.20 COC1=C(CN)C=NC=C1 AC-82832 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.20 COC1=C(CN)C=NC=C1 AC-90749 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.20 COC1=C(CO)C=NC=C1 AC-75498 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.20 COC1=CC=CC=C1CN AC-76869 [1,0,0,0,0,0|0,0,0]=1 51 B10R1.20 COC1=CC=CC=C1CN AC-94503 [1,0,0,0,0,0|0,0,0]=1 52 B10R1.20 COC1=CC=CC=C1CO AC-30162 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.20 COC1=CC=CC=C1NN AC-38555 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.20 COC1=CC=CC=C1OC AC-28235 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.20 COC1=CC=CN=C1C#N AC-82142 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.20 COC1=CC=CN=C1C=O AC-30496 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.20 COC1=CC=CN=C1CBr AC-81347 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.20 COC1=CC=CN=C1CN AC-75482 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.20 COC1=CC=CN=C1CN AC-80790 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.20 COC1=CC=CN=C1CO AC-90419 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.20 COC1=NC=CC=C1C=O AC-30491 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.20 COC1=NC=CC=C1CBr AC-84155 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.20 COC1=NC=CC=C1CN AC-56490 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.20 COC1=NC=CC=C1CN AC-69590 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.20 COC1=NC=CC=C1CO AC-69589 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.20 COC1=NC=CN=C1CN AC-94645 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.20 N#CC1=CC=CC=C1CN AC-71876 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.20 N#CC1=CC=CC=C1CN AC-91613 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.20 NCC1=CC=CC=C1CN AC-91915 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.20 NCC1=CC=CC=C1CO AC-82720 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.20 NCC1=NC=CC=C1C=O AC-82895 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.20 NCC1=NC=CC=C1CO AC-84936 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.20 OCC1=CC=CC=C1CBr AC-77403 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.20 OCC1=CC=CC=C1CO AC-33129 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.75 C#CC1=CC=CC=C1CC(N)=O AC-93994 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.75 COC1=CC=CC=C1CC(=O)O AC-30414 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.75 COC1=NC=CN=C1CC(C)C AC-14292 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.77 C#CC(O)C1=CC=CC=C1OC AC-93738 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.77 CCC(C)C1=NC=CN=C1OC AC-13446 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.77 COC1=CC=CC=C1C(=O)CBr AC-18476 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.77 COC1=CC=CC=C1C(N)C#N AC-95268 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.112 CCOC1=NC=C(Br)C=C1OC AC-84364 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.112 COC1=CC(Br)=CC=C1CC#N AC-92603 [0,1,0,0,0,0|0,0,2]=3 84 B12R1.112 COC1=CC(Cl)=CC=C1CC#N AC-95737 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.121 COC1=CC=CC=C1CCC=O AC-89760 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.121 COC1=CC=CC=C1OCCBr AC-92911 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.121 COC1=CC=CC=C1OCCN AC-11180 [0,1,0,0,0,0|0,0,0]=1 88 B12R1.121 CSC1=CC=CC=C1OCCN AC-38706 [0,1,0,0,0,0|0,1,0]=2 89 B12R1.121 O=CC1=CC=CC=C1OCCO AC-61210 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.169 CCOC1=CC=CC=C1CC=O AC-94167 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.268 CCOC1=CC(Br)=CC=C1OC AC-38135 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.268 COC1=CC=C(Br)C=C1CC#N AC-80361 [0,1,0,0,0,0|0,0,2]=3 93 B12R1.283 NCCC1=CC=CC=C1[N+](=O)[O-] AC-86204 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.1112 N#CC1=CC=CC(F)=C1CCN AC-88858 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.1 BrCC1CCC2=C1C=CC=C2 AC-94008 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.1 N#CC1CCC2=C1C=CC=C2 AC-80113 [0,0,0,1,0,0|1,0,2]=4 97 B12R2.1 NCC1=CNC2=C1C=CC=C2 AC-85126 [0,0,0,1,0,0|1,0,2]=4 98 B12R2.1 NCC1=COC2=NC=CC=C12 AC-88372 [0,0,0,1,0,0|1,0,2]=4 99 B12R2.1 NCC1=CSC2=CC=CC=C12 AC-87902 [0,0,0,1,0,0|0,1,2]=4 100 B12R2.1 NCC1=NNC2=C1C=CC=C2 AC-81017 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.1 NCC1=NOC2=CC=CC=C21 AC-83337 [0,0,0,1,0,0|1,0,1]=3 102 B12R2.1 NCC1CCC2=C1C=CC=C2 AC-86444 [0,0,0,1,0,0|1,0,0]=2 103 B12R2.1 OCC1=COC2=CC=CC=C12 AC-81472 [0,0,0,1,0,0|1,0,2]=4 104 B12R2.1 OCC1=NOC2=CC=CC=C21 AC-87738 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.1 OCC1CCC2=C1C=CC=C2 AC-87580 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.18 CC1CC2=C(C=CC=C2)C1=O AC-39381 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.18 CC1CC2=C(C=CC=C2)N1N AC-11735 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.18 CC1CC2=C(C=CC=C2)N1N AC-32637 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 AC-75973 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 AC-80940 [0,0,0,1,0,0|1,0,2]=4 111 B12R2.18 NC1C2=C(C=CC=C2)CC1O AC-39374 [0,0,0,1,0,0|3,0,0]=4 112 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]=4 113 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]=4 114 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]=4 115 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br AC-25052 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.24 CC1CC2=C(C=CC=C2)CN1 AC-41390 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.24 CC1CCC2=C(C=CC=C2)N1 AC-92540 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.24 CC1CCC2=C(C=CC=N2)C1 AC-88413 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AC-92541 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.24 CN1CCC2=C(C=CC=C2)C1 AC-95591 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.24 NC1CCC2=C(C=CC=C2)C1 AC-80418 [0,0,0,1,0,0|1,0,0]=2 122 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AC-91183 [0,0,0,1,0,0|1,0,0]=2 123 B12R2.24 NC1COC2=C(C=CC=C2)C1 AC-93251 [0,0,0,1,0,0|0,0,0]=1 124 B12R2.24 NN1CCC2=C(C=CC=C2)C1 AC-84934 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-21974 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.24 O=C1COC2=CC=CC=C2N1 AC-22850 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.24 OC1=CC2=CC=CC=C2OC1 AC-85783 [0,0,0,1,0,0|1,0,2]=4 128 B12R2.24 OC1COC2=C(C=CC=C2)C1 AC-85844 [0,0,0,1,0,0|1,0,0]=2 129 B12R2.41 C1=CC=C2CCNCCC2=C1 AC-86580 [0,0,0,1,0,0|1,0,0]=2 130 B12R2.41 C1=CC=C2NCCCCC2=C1 AC-34703 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.315 COC1=C2C=CSC2=CC=C1 AC-83386 [0,0,0,1,0,0|1,0,2]=4 132 B12R2.315 COC1=C2C=NNC2=NC=C1 AC-86563 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.315 COC1=C2C=NSC2=CC=C1 AC-85570 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.315 COC1=C2OC=NC2=CC=C1 AC-93690 [0,0,0,1,0,0|1,0,2]=4 135 B12R2.315 COC1=CC=CC2=C1C=CN2 AC-11769 [0,0,0,1,0,0|0,0,2]=3 136 B12R2.315 COC1=CC=CC2=C1C=NN2 AC-70413 [0,0,0,1,0,0|1,0,1]=3 137 B12R2.315 COC1=CC=CC2=C1CNC2 AC-79862 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.315 COC1=CC=CC2=C1NCC2 AC-68547 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.315 COC1=CC=CC2=C1NCC2 AC-94305 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.315 COC1=CC=CC2=C1NN=C2 AC-30232 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.315 COC1=CC=CC2=NSN=C12 AC-82193 [0,0,0,1,0,0|2,0,1]=4 142 B12R2.315 COC1=CC=NC2=C1C=CN2 AC-30137 [0,0,0,1,0,0|1,0,2]=4 143 B12R2.315 COC1=NC=CC2=C1N=CN2 AC-95572 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.315 N#CC1=CC=CC2=C1CCN2 AC-91034 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.315 O=CC1=CC=CC2=C1CCC2 AC-91430 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.315 OCC1=CC=CC2=C1CCN2 AC-75560 [0,0,0,1,0,0|2,0,0]=3 147 B12R2.1081 CC1=NCCC2=C1C=CC=C2 AC-79916 [0,0,0,1,0,0|1,0,1]=3 148 B12R2.1081 CC1CCCC2=C1C=CC=N2 AC-91063 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.1081 CC1CNCC2=C1C=CC=C2 AC-41446 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.1081 CC1CNCC2=C1C=CC=C2 AC-79561 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.1081 CN1CCCC2=C1C=CC=N2 AC-88585 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.1081 CN1CCNC2=C1C=CC=C2 AC-79456 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.1081 CN1CCNC2=C1C=CC=C2 AC-91080 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.1081 NC1CCCC2=C1C=CC=C2 AC-88620 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-31405 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.1081 O=C1NCCC2=C1C=CC=C2 AC-28099 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.1081 O=C1NCCC2=C1C=CC=N2 AC-83855 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AC-94411 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC-21976 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.2048 NCC1=CC=CC=C1C2CC2 AC-27281 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.8 BrCCC1=CC=CC=C1 AC-10988 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 BrCCC1=NC=CC=C1 AC-24894 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 BrCCC1=NC=CC=C1 AC-33015 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 CCCC1=CC=NC=C1 AC-12668 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 NCCC1=CC=CN=C1 AC-10206 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 NCCC1=CC=CN=C1 AC-95294 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.8 NCCC1=NC=CC=C1 AC-22649 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.8 NCCC1=NC=CC=N1 AC-94495 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 NNCC1=CC=CC=C1 AC-75839 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.8 NNCC1=CC=CN=C1 AC-75992 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 NNCC1=CC=NC=C1 AC-69402 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 NNCC1=CC=NC=C1 AC-75993 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 NNCC1=NC=CC=C1 AC-75991 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 NOCC1=CC=CC=C1 AC-13722 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 OCCC1=CC=CN=C1 AC-17846 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.8 OCCC1=NC=CC=C1 AC-57914 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 ONCC1=CC=CC=C1 AC-45409 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.15 C#CC1=CC=CC=C1C AC-80543 [2,0,0,0,0,0|0,0,2]=4 179 B9R1.15 C#CC1=CC=CC=C1N AC-77045 [2,0,0,0,0,0|1,0,1]=4 180 B9R1.15 C#CC1=CC=CC=C1O AC-76393 [2,0,0,0,0,0|0,0,2]=4 181 B9R1.15 CC1=C(CBr)C=NC=C1 AC-91663 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 CC1=C(CN)C=CN=C1 AC-41501 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.15 CC1=C(CO)C=NC=C1 AC-69836 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 CC1=C(NN)C=NC=C1 AC-94090 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 CC1=CC=CC=C1C=O AC-76942 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.15 CC1=CC=CN=C1CBr AC-76086 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 CC1=CC=CN=C1CBr AC-92173 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 CC1=CC=CN=C1CN AC-41496 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.15 CC1=CC=CN=C1CO AC-42281 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.15 CC1=NC=CC=C1CCl AC-69852 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 CC1=NC=CC=C1CN AC-44572 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.15 CC1=NC=CN=C1CN AC-69265 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 CCC1=C(Br)C=CN=C1 AC-69694 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 CCC1=C(Br)C=NC=C1 AC-24895 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 CCC1=CC=CC=C1Br AC-38136 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.15 CCC1=CC=CC=C1I AC-82889 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.15 CCC1=NC=CN=C1C AC-14206 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.15 CNC1=CC=CC=C1Br AC-25185 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.15 CNC1=CC=CC=C1F AC-29493 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.15 CNC1=CC=CC=C1N AC-10196 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.15 CNC1=CC=CC=C1N AC-12680 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.15 CNC1=CC=CC=C1O AC-76117 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.15 COC1=C(Cl)C=NC=C1 AC-37729 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 COC1=C(F)C=NC=C1 AC-81102 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 COC1=C(I)C=NC=C1 AC-29941 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 COC1=C(N)C=NC=C1 AC-41005 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.15 COC1=CC=CC=C1Br AC-34568 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.15 COC1=CC=CC=C1F AC-19428 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.15 COC1=CC=CN=C1Cl AC-26078 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 COC1=CC=CN=C1I AC-76423 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 COC1=CC=CN=C1N AC-24610 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.15 COC1=CC=CN=C1O AC-49830 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.15 COC1=NC=CC=C1Cl AC-77259 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 COC1=NC=CC=C1F AC-23611 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 COC1=NC=CC=C1I AC-23775 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 COC1=NC=CC=C1N AC-20127 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.15 COC1=NC=CN=C1N AC-68280 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.15 CSC1=CC=CC=C1F AC-14213 [2,0,0,0,0,0|1,1,0]=4 219 B9R1.15 ClC1=CC=CC=C1CBr AC-14186 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 ClCC1=CC=CC=C1Cl AC-37585 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.15 N#CC1=CC=CC=C1N AC-13907 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.15 N#CC1=CC=CC=C1O AC-14200 [2,0,0,0,0,0|0,0,2]=4 223 B9R1.15 NCC1=C(Cl)C=NC=C1 AC-75473 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.15 NCC1=C(F)C=NC=C1 AC-75478 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 NCC1=C(F)C=NC=C1 AC-75479 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 NCC1=C(N)C=NC=C1 AC-90796 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 NCC1=CC=CC=C1Br AC-33299 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.15 NCC1=CC=CC=C1O AC-65632 [2,0,0,0,0,0|0,0,0]=2 229 B9R1.15 NCC1=CC=CC=C1O AC-77351 [2,0,0,0,0,0|0,0,0]=2 230 B9R1.15 NCC1=CC=CN=C1Cl AC-26815 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 NCC1=CC=CN=C1Cl AC-82682 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 NCC1=CC=CN=C1N AC-56452 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 NCC1=CC=CN=C1N AC-84723 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.15 NCC1=NC=CC=C1Br AC-85830 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 NCC1=NC=CC=C1Br AC-94154 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 NCC1=NC=CC=C1Cl AC-68866 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 NCC1=NC=CC=C1Cl AC-92190 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.15 NCC1=NC=CC=C1F AC-75477 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 NCC1=NC=CC=C1F AC-80937 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.15 NNC1=CC=CC=C1Br AC-82886 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 NNC1=CC=CC=C1F AC-11865 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.15 OCC1=CC=CC=C1Cl AC-19310 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.15 OCC1=CC=CC=C1I AC-23760 [2,0,0,0,0,0|2,0,0]=4 244 B11R1.13 CC1=C(F)C=CC=C1CC#N AC-95875 [1,1,0,0,0,0|0,0,2]=4 245 B11R1.17 CC1=CC=CC=C1OCC#N AC-38841 [1,1,0,0,0,0|0,0,2]=4 246 B11R1.17 CCCCC1=CC=CC=C1Br AC-96717 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.17 CCCCC1=CC=CC=C1N AC-88454 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.17 CCCOC1=CC=CC=C1O AC-89578 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.17 CCNCC1=CC=CC=C1O AC-86121 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.17 CNCCC1=CC=CC=C1O AC-90214 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.17 N#CCCC1=CC=CC=C1Cl AC-93353 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.17 OCCCC1=CC=CC=C1Br AC-25432 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.17 OCCCC1=CC=CC=C1O AC-85673 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.17 OCCOC1=CC=CC=C1O AC-87273 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.81 CC1=CC(Br)=CC=C1CC#N AC-89169 [1,1,0,0,0,0|0,0,2]=4 256 B11R1.81 CC1=CC=C(CCO)C(I)=C1 AC-86394 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.81 ClC1=CC=C(CCBr)C(Br)=C1 AC-79902 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.81 NCCC1=CC=C(Cl)C=C1Cl AC-13604 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.81 NCCC1=CC=C(F)C=C1F AC-86827 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.81 NCCC1=CC=C(O)C=C1O AC-86085 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.81 NNCC1=CC=C(F)C=C1F AC-83676 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.81 OCCC1=CC=C(Cl)C=C1Br AC-76017 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.86 CC1=CC=CC=C1CC(=O)O AC-31317 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.86 NC(=O)CC1=CC=CC=C1Br AC-83818 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.86 O=C(O)CC1=CC=CC=C1O AC-11219 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.86 OC1=CC=CC=C1OC(F)F AC-85299 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.182 CC1=CC=C(C)C(CC#N)=C1 AC-23450 [1,1,0,0,0,0|0,0,2]=4 268 B11R1.182 CCNC1=CC(O)=CC=C1C AC-14283 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.182 NC1=CC=C(N)C(CCO)=C1 AC-65569 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.182 NCCC1=CC(O)=CC=C1O AC-90120 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.182 NNCC1=CC(Cl)=CC=C1F AC-88246 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.222 CCC(C)C1=CC=CC=C1Br AC-90206 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.222 CCC(N)C1=CC=CC=C1C AC-88096 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C AC-80318 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.222 NC(CO)C1=CC=CC=C1Cl AC-87972 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.222 NCC(=O)C1=CC=CC=C1F AC-24511 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.222 NCC(=O)C1=CC=CC=C1F AC-80100 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.222 NCC(O)C1=CC=CC=C1I AC-79822 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.222 N[C@@H](CO)C1=CC=CC=C1F AC-83262 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.605 BrCCC1=C(Br)C=CC=C1Br AC-87615 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.37 CCC1=CC(Br)=CC=C1C=O AC-86836 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.37 CCC1=CC=C(N)C=C1OC AC-90175 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.37 CNC1=CC=C(Cl)C=C1CO AC-92068 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.37 CNC1=CC=C(F)C=C1OC AC-84319 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.37 CNC1=CC=C(F)C=C1OC AC-95974 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.37 COC1=C(OC)N=CC(N)=C1 AC-89038 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.37 COC1=CC(Br)=CC=C1CBr AC-84692 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.37 COC1=CC(Br)=CC=C1CO AC-77287 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.37 COC1=CC(Br)=CN=C1OC AC-89120 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.37 COC1=CC(C)=CC=C1C=O AC-30282 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.37 COC1=CC(C)=CC=C1CO AC-85644 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.37 COC1=CC(F)=CC=C1CBr AC-75750 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.37 COC1=CC(I)=CN=C1OC AC-81400 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.37 COC1=CC(O)=CC=C1C=O AC-14348 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.37 COC1=CC=C(Br)C=C1CCl AC-93764 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.37 COC1=CC=C(Br)N=C1CO AC-94213 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.37 COC1=CC=C(C)C=C1C#N AC-30293 [1,1,0,0,0,0|0,0,2]=4 298 B11R1.37 COC1=CC=C(C)C=C1OC AC-19389 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.37 COC1=CC=C(Cl)C=C1C#N AC-76931 [1,1,0,0,0,0|0,0,2]=4 300 B11R1.37 COC1=CC=C(Cl)C=C1C=O AC-26020 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.37 COC1=CC=C(Cl)C=C1CBr AC-44278 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.37 COC1=CC=C(Cl)C=C1CO AC-89975 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.37 COC1=CC=C(Cl)C=C1NN AC-96409 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.37 COC1=CC=C(Cl)N=C1OC AC-89113 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.37 COC1=CC=C(F)C=C1OC AC-19342 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.37 COC1=CC=C(N)C=C1C#N AC-50677 [1,1,0,0,0,0|0,0,2]=4 307 B11R1.37 COC1=CC=C(N)C=C1CO AC-90400 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.37 COC1=CN=C(N)C=C1OC AC-81824 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.37 COC1=NC(Br)=CC=C1CN AC-80327 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.37 COC1=NC(Br)=CC=C1CN AC-88523 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.37 COC1=NC(Br)=CC=C1CO AC-80314 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.37 COC1=NC=C(Br)C=C1CN AC-69596 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.37 COC1=NC=C(Br)C=C1CN AC-75509 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.37 COC1=NC=C(Br)C=C1CO AC-88335 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.37 COC1=NC=C(Cl)C=C1CN AC-75519 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.53 CC(O)C1=CC=CC=C1C#N AC-80232 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.53 CCC1=CC=CC=C1B(O)O AC-21205 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.53 CCC1=CC=CC=C1C(=O)O AC-14207 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.53 CCC1=CC=CN=C1C(C)=O AC-96638 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.53 CN(C)C1=CC=CC=C1CN AC-42911 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.53 CNC1=CC=CC=C1C(N)=O AC-91039 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.53 COC1=C(C(C)=O)C=NC=C1 AC-84738 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.53 COC1=CC=CC=C1B(O)O AC-13962 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.53 COC1=CC=CC=C1C(=O)O AC-59997 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.53 COC1=CC=CC=C1C(C)Br AC-84112 [1,1,0,0,0,0|0,0,0]=2 326 B11R1.53 COC1=CC=CC=C1C(C)C AC-92947 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.53 COC1=CC=CC=C1[C@H](C)N AC-80289 [1,1,0,0,0,0|0,0,0]=2 328 B11R1.53 COC1=CC=NC=C1C(N)=O AC-87806 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.53 COC1=NC=CC=C1C(C)O AC-88768 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.53 NCC1=CC=CC=C1B(O)O AC-84384 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.53 NCC1=CC=CC=C1C(=O)O AC-82643 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.265 CNC1=C(C)C=CC=C1CO AC-84310 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.265 COC1=C(Br)C=CC=C1CN AC-82258 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.265 COC1=C(C#N)C(N)=CC=C1 AC-68436 [1,1,0,0,0,0|0,0,2]=4 335 B11R1.265 COC1=C(C)C=CC=C1C=O AC-77335 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.265 COC1=C(C=O)C(Br)=CC=C1 AC-41942 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.265 COC1=C(C=O)C(F)=CC=C1 AC-23596 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.265 COC1=C(C=O)C(N)=CC=C1 AC-90402 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.265 COC1=C(CBr)C(F)=CC=C1 AC-92000 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.265 COC1=C(CCl)C=CC=C1Br AC-85033 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.265 COC1=C(Cl)C=CC=C1C=O AC-26022 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.265 COC1=C(F)C=CC=C1CO AC-80429 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.265 COC1=C(OC)C(Br)=CC=C1 AC-24879 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.265 COC1=C(OC)C(Br)=NC=C1 AC-82264 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.265 COC1=C(OC)C(O)=CC=C1 AC-18313 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.265 COC1=CC=CC(C)=C1CO AC-82462 [1,1,0,0,0,0|1,0,0]=3 347 B13R1.51 COC1=CC(Br)=CC=C1CC(=O)O AC-79413 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.89 COC1=CC=CC=C1C(C)C(=O)O AC-77229 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.89 COC1=CC=CC=C1C(N)C(=O)O AC-91734 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.89 COC1=CC=CC=C1C(O)C(C)C AC-84910 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.380 CCOC1=CC=CC=C1CC(=O)O AC-93792 [0,2,0,0,0,0|1,0,1]=4 352 B13R1.622 COC1=CC=CC=C1OC(F)(F)F AC-91927 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.3089 COC1=CC=C(Br)C=C1CN(C)C AC-88470 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.3089 COC1=CC=C(Br)C=C1OC(C)C AC-84444 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.382 CCOC1=CC=CC=C1C(=N)NN AC-82529 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.382 CCOC1=CC=CC=C1C(=O)OC AC-15311 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.382 COC(=O)C1=CC=CC=C1CC#N AC-13252 [0,2,0,0,0,0|0,0,2]=4 358 B13R1.73 COC1=CC(Br)=CC=C1OCCCl AC-42068 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.73 COC1=CC(Br)=CC=C1OCCO AC-42258 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.1248 CCOC1=CC=C(N)C=C1OCC AC-81285 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.1249 CCOC1=CC=C(CC)C=C1OC AC-86124 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.1249 COC1=CC=C(CON)C(OC)=C1 AC-95279 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.84 COC1=CC=CC=C1OCCCN AC-81758 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.84 N#CC1=CC=CC=C1OCCCN AC-32317 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.90 COC1=CC=CC=C1CCC(=O)O AC-20743 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.485 CCCOC1=CC=CN=C1OCC AC-89250 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.485 CCOC1=CC=CC=C1OCCBr AC-14491 [0,2,0,0,0,0|1,0,0]=3 368 B13R1.485 CCOC1=CC=CC=C1OCCN AC-38345 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.572 NCCCC1=CC=CC=C1[N+](=O)[O-] AC-96608 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.572 NCCNC1=CC=CC=C1C(=O)O AC-88168 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.572 NCCOC1=CC=CC=C1[N+](=O)[O-] AC-38765 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.355 CCOC1=CC(C#N)=CC=C1OC AC-73884 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.3904 C=CCC1=C(OC)C=CC=C1CO AC-85980 [0,2,0,0,0,0|1,0,1]=4 374 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 AC-75429 [0,0,1,1,0,0|1,0,1]=4 375 B11R2.10 BrC1CC2=C(C=CC=C2)C1 AC-95153 [1,0,0,1,0,0|1,0,0]=3 376 B11R2.10 CC1CC2=C(C=CC=C2)N1 AC-13730 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.10 CC1CC2=CC=CC=C2O1 AC-92899 [1,0,0,1,0,0|1,0,0]=3 378 B11R2.10 NC1=CC2=CC=CC=C2O1 AC-89495 [1,0,0,1,0,0|0,0,2]=4 379 B11R2.10 NC1=NC2=CC=CC=C2O1 AC-33521 [1,0,0,1,0,0|1,0,1]=4 380 B11R2.10 O=C1CC2=CC=CC=C2O1 AC-33159 [1,0,0,1,0,0|1,0,1]=4 381 B11R2.10 OC1CC2=C(C=CC=C2)C1 AC-14001 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.10 ON1CC2=C(C=CC=C2)C1 AC-87740 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.20 C1=CC2=C(C=C1)COCC2 AC-76958 [1,0,0,1,0,0|1,0,0]=3 384 B11R2.20 C1=CC2=C(C=N1)CCCC2 AC-89576 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.20 C1=CC2=C(C=N1)CCNC2 AC-80043 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.20 C1=CC2=C(C=N1)CCNC2 AC-94483 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.20 C1=CC2=C(C=N1)CNCC2 AC-81083 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.20 C1=CC2=C(CCCC2)N=C1 AC-11253 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.20 C1=CC2=C(CCNC2)N=C1 AC-39975 [1,0,0,1,0,0|1,0,0]=3 390 B11R2.20 C1=CC2=C(CCNC2)N=C1 AC-83959 [1,0,0,1,0,0|1,0,0]=3 391 B11R2.20 C1=CC=C2OCCNC2=C1 AC-41386 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.20 C1=CN=C2OCCCC2=C1 AC-82761 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.20 C1=NC=NC2=C1CNCC2 AC-94459 [1,0,0,1,0,0|2,0,0]=4 394 B11R2.55 OC1=CC=CC=C1C2CC2 AC-90756 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.106 BrC1=C2CCOC2=CC=C1 AC-94766 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.106 BrC1=CC=CC2=C1CCC2 AC-80207 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.106 BrC1=NC=CC2=C1CCN2 AC-88186 [1,0,0,1,0,0|2,0,0]=4 398 B11R2.106 CC1=C2N=CNC2=CC=C1 AC-43059 [1,0,0,1,0,0|1,0,1]=4 399 B11R2.106 CC1=C2N=CNC2=CC=C1 AC-90737 [1,0,0,1,0,0|1,0,1]=4 400 B11R2.106 CC1=CC=CC2=C1C=CN2 AC-11779 [1,0,0,1,0,0|0,0,2]=4 401 B11R2.106 CC1=CC=CC2=C1CC=C2 AC-87476 [1,0,0,1,0,0|1,0,1]=4 402 B11R2.106 CC1=CC=CC2=C1NCC2 AC-87645 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.106 ClC1=CC=CC2=C1CCC2 AC-89770 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.106 ClC1=CC=CC2=C1CCN2 AC-13493 [1,0,0,1,0,0|1,0,0]=3 405 B11R2.106 ClC1=NC=CC2=C1CCN2 AC-35378 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.106 FC1=CC=CC2=C1CCC2 AC-88697 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.106 FC1=CC=CC2=C1CCN2 AC-89742 [1,0,0,1,0,0|1,0,0]=3 408 B11R2.106 IC1=CC=CC2=C1CCN2 AC-29930 [1,0,0,1,0,0|1,0,0]=3 409 B11R2.106 NC1=C2CCOC2=CC=C1 AC-80714 [1,0,0,1,0,0|2,0,0]=4 410 B11R2.106 NC1=CC=CC2=C1CCC2 AC-79406 [1,0,0,1,0,0|2,0,0]=4 411 B11R2.106 NC1=CC=CC2=C1CCN2 AC-79932 [1,0,0,1,0,0|1,0,0]=3 412 B11R2.106 O=C1C=CC=C2NCCN12 AC-67949 [1,0,0,1,0,0|1,0,1]=4 413 B11R2.106 OC1=CC=CC2=C1C=CN2 AC-11034 [1,0,0,1,0,0|0,0,2]=4 414 B11R2.106 OC1=CC=CC2=C1C=NN2 AC-39467 [1,0,0,1,0,0|1,0,1]=4 415 B11R2.106 OC1=CC=CC2=C1CCC2 AC-81223 [1,0,0,1,0,0|1,0,0]=3 416 B11R2.106 OC1=CC=CC2=C1CNC2 AC-96006 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.106 OC1=CC=CC2=C1NCC2 AC-81994 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.1 NC1=NOC2=C1C=CC=C2 AC-16026 [1,0,0,1,0,0|1,0,1]=4 419 B11R2.1 NC1CCC2=C1C=CC=C2 AC-20254 [1,0,0,1,0,0|1,0,0]=3 420 B11R2.1 NC1CCC2=C1C=CC=C2 AC-39373 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AC-68865 [1,0,0,1,0,0|1,0,0]=3 422 B11R2.1 O=C1CCC2=C1C=CC=C2 AC-14690 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.1 O=C1COC2=CC=CC=C12 AC-24718 [1,0,0,1,0,0|1,0,1]=4 424 B11R2.1 O=C1NCC2=C1C=CC=C2 AC-28098 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 AC-83064 [1,0,0,1,0,0|2,0,0]=4 426 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 AC-92688 [0,1,0,1,0,0|1,0,1]=4 427 B13R2.581 COC1=CC=CC2=C1C=C(C)N2 AC-30301 [0,1,0,1,0,0|0,0,2]=4 428 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 AC-30250 [0,1,0,1,0,0|0,0,1]=3 429 B13R2.581 COC1=NC=CC2=C1CC(=O)N2 AC-90107 [0,1,0,1,0,0|1,0,1]=4 430 B13R2.91 COC1=CC=CC=C1C2(N)CC2 AC-75661 [0,1,0,1,0,0|1,0,0]=3 431 B13R2.371 CC1=NCC(C)C2=C1C=CC=C2 AC-82537 [0,1,0,1,0,0|1,0,1]=4 432 B13R2.371 CC1CCN(C)C2=C1C=CC=C2 AC-85111 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.582 COC1=CC=CC2=C1C(=O)CC2 AC-43809 [0,1,0,1,0,0|1,0,1]=4 434 B13R2.582 COC1=CC=CC2=C1C(Br)=NN2 AC-85147 [0,1,0,1,0,0|1,0,1]=4 435 B13R2.1613 CCC1NCCC2=C1C=CC=C2 AC-29294 [0,1,0,1,0,0|1,0,0]=3 436 B13R2.1613 CCC1NCCC2=C1C=CC=C2 AC-96498 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.1613 COC1=C2NCCOC2=CC=C1 AC-84962 [0,1,0,1,0,0|1,0,0]=3 438 B13R2.1613 COC1=CC=CC2=C1CCCN2 AC-79821 [0,1,0,1,0,0|0,0,0]=2 439 B13R2.1613 COC1=CC=CC2=C1CNCC2 AC-41434 [0,1,0,1,0,0|1,0,0]=3 440 B13R2.1613 COC1=NC=NC2=C1CCNC2 AC-81520 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.1613 NCC1CCCC2=C1C=CC=C2 AC-94011 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.1613 OCC1NCCC2=C1C=CC=C2 AC-88313 [0,1,0,1,0,0|1,0,0]=3 443 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 AC-51674 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.623 COC1=CC(Br)=CC2=C1C=CN2 AC-87911 [0,1,0,1,0,0|0,0,2]=4 445 B13R2.623 COC1=CC(Br)=CC2=C1C=NN2 AC-79414 [0,1,0,1,0,0|1,0,1]=4 446 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 AC-33601 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-26916 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-35326 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.3683 NC1CCC2=C(C=CC(F)=C2)C1 AC-92638 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 AC-82131 [0,1,0,1,0,0|1,0,0]=3 451 B13R2.3683 OC1CCC2=C(C=CC(F)=C2)C1 AC-87734 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.1 NCCC1=CNC2=C1C=CC=C2 AC-32640 [0,1,0,1,0,0|1,0,1]=4 453 B13R2.1 NCCC1=CNC2=C1C=CC=C2 AC-32641 [0,1,0,1,0,0|1,0,1]=4 454 B13R2.1 NCCC1=COC2=CC=CC=C12 AC-80897 [0,1,0,1,0,0|0,0,1]=3 455 B13R2.1 NCCC1CNC2=C1C=CC=C2 AC-94796 [0,1,0,1,0,0|1,0,0]=3 456 B13R2.57 BrCC1CCC2=C(C=CC=C2)O1 AC-39186 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.57 NCC1CC2=C(C=CC=C2)CN1 AC-87524 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 AC-75548 [0,1,0,1,0,0|1,0,0]=3 459 B13R2.57 NCC1COC2=C(C=CC=C2)C1 AC-75549 [0,1,0,1,0,0|0,0,0]=2 460 B13R2.57 NCC1COC2=CC=CC=C2N1 AC-94038 [0,1,0,1,0,0|0,0,0]=2 461 B13R2.57 O=CC1COC2=CC=CC=C2O1 AC-93101 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.57 OCC1CCC2=C(C=CC=C2)N1 AC-83956 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.57 OCC1CCC2=C(C=CC=C2)O1 AC-28071 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.57 OCC1COC2=CC=CC=C2N1 AC-91524 [0,1,0,1,0,0|1,0,0]=3 465 B13R2.57 OC[C@@H]1CCC2=C(C=CC=C2)N1 AC-86174 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.573 CN1CCC2=C1C=CC=C2C#N AC-93004 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.573 COC1=CC=CC2=C1C=CN2C AC-88462 [0,1,0,1,0,0|0,0,2]=4 468 B13R2.573 N#CC1=CC=CC2=C1CCC2N AC-88182 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.135 NCC1C(=O)NC2=C1C=CC=C2 AC-92475 [0,1,0,1,0,0|1,0,1]=4 470 B13R2.292 CNCC1=C2OCOC2=CC=C1 AC-89177 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.292 NCCC1=CC=CC2=C1C=CN2 AC-29862 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.155 CC1CNC2=C(C=C(Br)C=C2)C1 AC-94009 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.155 NC1CCC2=C(C=C(Br)C=C2)C1 AC-33597 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.155 NC1CCC2=C(C=C(F)C=C2)C1 AC-84745 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 AC-35213 [0,1,0,1,0,0|1,0,1]=4 476 B13R2.2136 NCC1=COC2=CC=C(F)C=C12 AC-92968 [0,1,0,1,0,0|0,0,2]=4 477 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 AC-87807 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.5179 O=C1NCCC2=C1C=CC(O)=C2 AC-80765 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.5179 OC1COC2=C(C=CC=C2Br)C1 AC-91560 [0,1,0,1,0,0|1,0,0]=3 480 B13R2.3122 CC1(C)NCCC2=C1C=CC=C2 AC-80793 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.5569 O=C(O)C1=CC=CC2=C1CCN2 AC-91522 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.4818 CN1CCCC2=C1C(O)=CC=C2 AC-88169 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.4818 NC1=CC=CC2=C1C(=O)NCC2 AC-83271 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.4818 O=C1NCCC2=C1C(Br)=CC=C2 AC-80158 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.4818 O=C1NCCC2=C1C(Cl)=CC=C2 AC-90239 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.342 CC1=CC=CC2=C1CCNC2=O AC-28111 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.342 CN1CCCC2=C1C=CC=C2O AC-94281 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.342 NC1=CC=CC2=C1CCNC2=O AC-93679 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.342 O=C1NCCC2=C1C=CC=C2Br AC-91819 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.342 O=C1NCCC2=C1C=CC=C2O AC-73380 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.33 CC1=C(CCN)SC=N1 AC-31865 [1,0,0,0,1,0|2,0,0]=4 492 B9R1.33 CC1=CC=NN1CCN AC-82477 [1,0,0,0,1,0|2,0,0]=4 493 B9R1.33 CC1=CN=CN1CCN AC-82478 [1,0,0,0,1,0|2,0,0]=4 494 B9R1.33 CN1C=NC=C1CCN AC-86763 [1,0,0,0,1,0|2,0,0]=4 495 B9R1.14 CCC1=CNC=C1CC AC-76541 [1,0,0,0,1,0|2,0,0]=4 496 B9R1.14 COC1=CSC=C1OC AC-26593 [1,0,0,0,1,0|2,0,0]=4