0 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 N#CC#CC1=CC=CC=C1 AK-88636 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [0,0,0,0,0,0|0,0,4]=4 14 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,0,0,0,0,0|0,0,4]=4 15 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [0,0,0,0,0,0|1,0,2]=3 16 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.1 O=C\C=C\C1=CC=C(C)C=C1 AK101325 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 AK128976 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.17 OC1=CC=CC=C1OCC=C AK544045 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [0,1,0,0,0,0|0,0,2]=3 34 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AK-86834 [0,1,0,0,0,0|0,0,2]=3 48 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,1,0,0,0,0|0,0,2]=3 49 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AK114507 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AK-32864 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 AK-35529 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.91 [O-]C(=O)C=CC1=CC=CC=C1 AK104134 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.91 [O-][N+](=O)/C=C/C1=CC=CC=C1 AK111240 [0,1,0,0,0,0|1,0,0]=2 59 B11R2.1 BrC1=C2C=CC=CN2N=C1 AK-28449 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.1 BrC1=CN=C2C=CC=CN21 AK-35317 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 BrC1=CNC2=C1C=CN=C2 AK-28368 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.1 BrC1=CNC2=C1C=NC=C2 AK115942 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [0,0,0,1,0,0|2,0,0]=3 64 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [0,0,0,1,0,0|2,0,0]=3 65 B11R2.1 BrC1=CSC2=C1C=NC=C2 AK-79310 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.1 BrC1=CSC2=NC=CC=C21 AK-30778 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.1 BrC1=C[NH]C2=CC=CN=C12 AK-65326 [0,0,0,1,0,0|3,0,0]=4 68 B11R2.1 BrC1=C[NH]C2=NC=CC=C12 AK-24119 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 BrC1=NNC2=C1C=CC=C2 AK-23691 [0,0,0,1,0,0|3,0,0]=4 70 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [0,0,0,1,0,0|2,0,0]=3 71 B11R2.1 C1=CC=CC2=C([NH]N=C12)Cl AK-25715 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.1 C1=CC=CC2=C1C(=NS2)N AK-26866 [0,0,0,1,0,0|3,0,0]=4 73 B11R2.1 C1=CC=CC2=C1C(=N[NH]2)N AK-26928 [0,0,0,1,0,0|3,0,0]=4 74 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,0|0,0,2]=3 75 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,0,0,1,0,0|1,0,1]=3 76 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|1,0,1]=3 77 B11R2.1 CC1=CNC2=C1C=CC=N2 AK-49155 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [0,0,0,1,0,0|2,0,0]=3 80 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [0,0,0,1,0,0|3,0,0]=4 81 B11R2.1 C[N]1C2=NC=CC=C2C=C1 AK-24546 [0,0,0,1,0,0|3,0,0]=4 82 B11R2.1 ClC1=C2C=CC=CN2N=C1 AK165560 [0,0,0,1,0,0|3,0,0]=4 83 B11R2.1 ClC1=CNC2=C1C=CC=N2 AK-25034 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.1 ClC1=NOC2=C1C=CC=C2 AK-24058 [0,0,0,1,0,0|3,0,0]=4 85 B11R2.1 ClC1=NSC2=CC=CC=C12 AK-37779 [0,0,0,1,0,0|3,0,0]=4 86 B11R2.1 IC1=CNC2=C1C=CN=C2 AK-64834 [0,0,0,1,0,0|3,0,0]=4 87 B11R2.1 IC1=CNC2=C1C=NC=C2 AK-68321 [0,0,0,1,0,0|3,0,0]=4 88 B11R2.1 IC1=CNC2=CC=CN=C21 AK-68393 [0,0,0,1,0,0|3,0,0]=4 89 B11R2.1 IC1=NNC2=C1C=CC=C2 AK-24807 [0,0,0,1,0,0|3,0,0]=4 90 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,0,0,1,0,0|2,0,1]=4 91 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [0,0,0,1,0,0|2,0,0]=3 92 B11R2.1 NN1N=CC2=CC=CC=C12 AK-87918 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.1 O1C2=C(C(=N1)N)C=CC=C2 AK-23544 [0,0,0,1,0,0|3,0,0]=4 94 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,0,0,1,0,0|1,0,1]=3 95 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,0|1,0,2]=4 96 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,0|1,0,1]=3 97 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [0,0,0,1,0,0|2,0,1]=4 99 B11R2.1 O=C1NNC2=C1C=CC=N2 AK-30879 [0,0,0,1,0,0|3,0,0]=4 100 B11R2.1 O=C1NNC2=C1C=CN=C2 AK100133 [0,0,0,1,0,0|3,0,0]=4 101 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,0|1,0,1]=3 102 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,0,0,1,0,0|2,0,1]=4 103 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [0,0,0,1,0,0|2,0,1]=4 104 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [0,0,0,1,0,0|2,0,0]=3 105 B11R2.20 C12=CC=NC=C1N=CC=C2 AK-65141 [0,0,0,1,0,0|2,0,0]=3 106 B11R2.20 C12=CN=CC=C1N=CC=C2 AK-47050 [0,0,0,1,0,0|2,0,0]=3 107 B11R2.20 C12=NC=CC=C1N=CC=C2 AK-39624 [0,0,0,1,0,0|2,0,0]=3 108 B11R2.20 C12=NC=CC=C1N=CC=N2 AK-47060 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.20 C1=C2C(=NC=C1)N=CC=C2 AK-34374 [0,0,0,1,0,0|2,0,0]=3 110 B11R2.20 C1=C2C(=NC=N1)C=CC=C2 AK-46565 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.20 C1=CC=C2N=NC=CC2=C1 AK-64450 [0,0,0,1,0,0|2,0,0]=3 112 B11R2.20 C1=CC=CC2=NC=CN=C12 AK-51744 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [0,0,0,0,1,0|1,0,0]=2 115 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,1]=4 116 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 117 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [2,0,0,0,0,0|1,0,0]=3 122 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|0,0,1]=3 124 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|0,0,2]=4 129 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,1,0,0,0,0|0,0,1]=3 134 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,1,0,0,0,0|0,0,1]=3 137 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [1,1,0,0,0,0|1,1,0]=4 142 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [1,1,0,0,0,0|1,1,0]=4 143 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,2,0,0,0,0|0,0,2]=4 145 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,2,0,0,0,0|0,0,2]=4 146 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,2,0,0,0,0|0,0,2]=4 148 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,2,0,0,0,0|0,0,2]=4 149 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,2,0,0,0,0|0,0,2]=4 150 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,2,0,0,0,0|0,0,2]=4 151 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.21 O=[N+](\C=C\C1=CC=C(C)C=C1)[O-] AK142090 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,2,0,0,0,0|0,0,0]=2 157 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.71 O=CNCC1=CC=C(OC)C=C1 AK201126 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [0,2,0,0,0,0|0,0,1]=3 162 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.39 CC(C1=CC=CC=C1)(C)CC=O AK141497 [0,2,0,0,0,0|0,0,2]=4 164 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,2,0,0,0,0|0,0,2]=4 165 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,2,0,0,0,0|0,0,1]=3 166 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,2,0,0,0,0|1,0,1]=4 168 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,2,0,0,0,0|1,0,1]=4 169 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,2,0,0,0,0|0,0,2]=4 170 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,2,0,0,0,0|0,0,2]=4 171 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,2,0,0,0,0|0,0,2]=4 172 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,2,0,0,0,0|0,0,2]=4 173 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,2,0,0,0,0|0,0,2]=4 174 B12R1.125 C1=CC(=C(C=C1)Br)CCC(=O)O AK-32403 [0,2,0,0,0,0|0,0,2]=4 175 B12R1.125 CC(NCC1=CC=CC=C1O)=O AK596956 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl AK-40026 [0,2,0,0,0,0|0,0,2]=4 177 B12R1.125 O=C(O)CCC1=CC=CC=C1F AK-43239 [0,2,0,0,0,0|0,0,2]=4 178 B12R1.125 O=C(O)COC1=CC=CC=C1F AK-83321 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.125 O=[N+](\C=C\C1=CC=CC=C1Cl)[O-] AK686774 [0,2,0,0,0,0|1,0,0]=3 180 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [0,2,0,0,0,0|0,0,0]=2 181 B12R1.50 C=CC(NC1=CC=CC(N)=C1)=O AK319023 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.50 C=CC(NC1=CC=CC(O)=C1)=O AK548287 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl AK-48858 [0,2,0,0,0,0|0,0,2]=4 184 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AK-35123 [0,2,0,0,0,0|0,0,2]=4 185 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,2,0,0,0,0|0,0,2]=4 186 B12R1.226 O=C(O)CCC1=CC=CC(N)=C1 AK-33600 [0,2,0,0,0,0|0,0,2]=4 187 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [0,2,0,0,0,0|0,0,2]=4 188 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,2,0,0,0,0|0,0,0]=2 189 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,2,0,0,0,0|0,0,0]=2 190 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.226 O=[N+](\C=C\C1=CC(F)=CC=C1)[O-] AK113142 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.226 OC(=O)COC1=CC(F)=CC=C1 AK-83320 [0,2,0,0,0,0|1,0,1]=4 193 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,2,0,0,0,0|0,0,2]=4 194 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,2,0,0,0,0|0,0,2]=4 196 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,2,0,0,0,0|0,0,0]=2 198 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 AK-40357 [0,2,0,0,0,0|0,0,2]=4 204 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AK-96640 [0,2,0,0,0,0|0,0,2]=4 205 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AK-47022 [0,2,0,0,0,0|0,0,2]=4 206 B12R1.252 O=C(O)COCC1=CC=CC=C1 AK-41614 [0,2,0,0,0,0|0,0,2]=4 207 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AK-93011 [0,2,0,0,0,0|0,0,2]=4 208 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AK-48464 [0,2,0,0,0,0|0,0,2]=4 209 B12R1.252 OC(=O)CNCC1=CC=CC=C1 AK-45584 [0,2,0,0,0,0|0,0,2]=4 210 B12R1.43 C1=CC=CC=C1CC(C(O)=O)N AK-49411 [0,2,0,0,0,0|0,0,2]=4 211 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,2,0,0,0,0|0,0,1]=3 212 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,2,0,0,0,0|0,0,2]=4 213 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O AK-46761 [0,2,0,0,0,0|0,0,2]=4 214 B12R1.43 O=C(N)C(N)CC1=CC=CC=C1 AK-65798 [0,2,0,0,0,0|0,0,2]=4 215 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,2,0,0,0,0|0,0,2]=4 216 B12R1.43 O=C(O)[C@H](N)CC1=CC=CC=C1 AK-36068 [0,2,0,0,0,0|0,0,2]=4 217 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,2,0,0,0,0|0,0,2]=4 219 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O AK-81283 [0,2,0,0,0,0|0,0,2]=4 220 B10R1.30 BrC1=C(C=O)C=C(C=C1)Br AK-26309 [0,0,1,1,0,0|2,0,0]=4 221 B10R1.30 BrC1=C(C=O)C=C(C=C1)Cl AK-48947 [0,0,1,1,0,0|2,0,0]=4 222 B10R1.30 BrC1=C(C=O)C=C(C=C1)O AK-25723 [0,0,1,1,0,0|2,0,0]=4 223 B10R1.30 BrC1=CC(=C(C=C1)C)C=O AK-36810 [0,0,1,1,0,0|1,0,1]=4 224 B10R1.30 BrC1=CC(=C(C=C1)I)C=O AK-27766 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.30 C1=C(C(=CC=C1Br)F)C=O AK-23808 [0,0,1,1,0,0|2,0,0]=4 226 B10R1.30 C1=C(C(=CC=C1Cl)Cl)C=O AK-47459 [0,0,1,1,0,0|2,0,0]=4 227 B10R1.30 C1=C(C(=CC=C1Cl)F)C=O AK-29629 [0,0,1,1,0,0|2,0,0]=4 228 B10R1.30 C1=C(C(=CC=C1F)Br)C=O AK-36950 [0,0,1,1,0,0|2,0,0]=4 229 B10R1.30 C1=C(C(=CC=C1F)C)C=O AK-27209 [0,0,1,1,0,0|1,0,1]=4 230 B10R1.30 C1=C(C(=CC=C1F)O)C=O AK-24761 [0,0,1,1,0,0|2,0,0]=4 231 B10R1.30 C1=C(C=CC(=C1C=O)F)C AK-29613 [0,0,1,1,0,0|1,0,1]=4 232 B10R1.30 C1=CC(=C(C=C1F)C=O)F AK-46524 [0,0,1,1,0,0|2,0,0]=4 233 B10R1.30 FC1=C(C=O)C=C(C=C1)O AK-24196 [0,0,1,1,0,0|2,0,0]=4 234 B10R1.30 NC1=CC=C(Cl)C=C1C=O AK-30625 [0,0,1,1,0,0|2,0,0]=4 235 B10R1.30 O=CC1=CC(Br)=CC=C1Cl AK-25542 [0,0,1,1,0,0|2,0,0]=4 236 B10R1.30 O=CC1=CC(Br)=CC=C1N AK-26645 [0,0,1,1,0,0|2,0,0]=4 237 B10R1.30 O=CC1=CC(C)=CC=C1Br AK-76557 [0,0,1,1,0,0|1,0,1]=4 238 B10R1.30 O=CC1=CC(C)=CC=C1O AK-30554 [0,0,1,1,0,0|1,0,1]=4 239 B10R1.30 O=CC1=CC(I)=CC=C1Br AK-61395 [0,0,1,1,0,0|2,0,0]=4 240 B10R1.30 O=CC1=CC(O)=CC=C1Cl AK-65101 [0,0,1,1,0,0|2,0,0]=4 241 B10R1.30 OC1=CC(C=O)=C(I)C=C1 AK-81430 [0,0,1,1,0,0|2,0,0]=4 242 B10R1.30 OC1=CC=C(Br)C=C1C=O AK-49497 [0,0,1,1,0,0|2,0,0]=4 243 B10R1.172 C1=CC(=CC(=C1)C=O)C#N AK-41581 [0,0,1,1,0,0|1,0,1]=4 244 B10R1.172 O=CC1=CC=CC(CBr)=C1 AK-54641 [0,0,1,1,0,0|1,0,1]=4 245 B10R1.172 O=CC1=CC=CC(CC)=C1 AK-94141 [0,0,1,1,0,0|0,0,2]=4 246 B10R1.172 O=CC1=CC=CC(OC)=C1 AK-84426 [0,0,1,1,0,0|1,0,1]=4 247 B10R1.172 O=CC1=NC(C=O)=CC=C1 AK-26102 [0,0,1,1,0,0|2,0,0]=4 248 B10R1.176 C=CC1=CC=C(Cl)C(Cl)=C1 AK-45907 [0,0,1,1,0,0|2,0,0]=4 249 B10R2.7 C12=C(C=CS1)C=CN=C2 AK-77543 [1,0,0,1,0,0|1,1,0]=4 250 B10R2.7 C12=C(NN=C1)C=CC=C2 AK-49124 [1,0,0,1,0,0|2,0,0]=4 251 B10R2.7 C12=CC=CC=C1N=CN2 AK109037 [1,0,0,1,0,0|2,0,0]=4 252 B10R2.7 C12=NC=CC=C1C=CN2 AK-26735 [1,0,0,1,0,0|2,0,0]=4 253 B10R2.7 C12=NC=CC=C1OC=C2 AK119994 [1,0,0,1,0,0|1,0,1]=4 254 B10R2.7 C12=NC=CN1C=CC=C2 AK-27769 [1,0,0,1,0,0|2,0,0]=4 255 B10R2.7 C1=CC2=C(N=C1)C=C[NH]2 AK-29974 [1,0,0,1,0,0|2,0,0]=4 256 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [1,0,0,1,0,0|1,0,1]=4 257 B10R2.7 C1=CSC2=C1C=CC=C2 AK-44148 [1,0,0,1,0,0|0,1,0]=3 258 B10R2.7 C1=CSC2=C1C=NC=C2 AK-39315 [1,0,0,1,0,0|1,1,0]=4 259 B10R2.7 C1=C[NH]C2=C1C=CN=C2 AK-21984 [1,0,0,1,0,0|2,0,0]=4 260 B10R2.7 C1=C[NH]C2=C1C=NC=C2 AK-29973 [1,0,0,1,0,0|2,0,0]=4 261 B10R2.7 C1=NC=C[N]2C1=CC=C2 AK-31184 [1,0,0,1,0,0|2,0,0]=4 262 B10R2.7 S1C=CC2=C1C=CC=N2 AK-55220 [1,0,0,1,0,0|1,1,0]=4 263 B10R2.7 S1C=CC2=C1N=CC=C2 AK-30780 [1,0,0,1,0,0|1,1,0]=4 264 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|0,0,1]=3 265 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 AK-23692 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AK-27162 [0,1,0,1,0,0|1,0,0]=3 267 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 AK-87992 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.24 BrC1=CC2=CC=NN=C2C=C1 AK-43221 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 AK-49506 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.24 BrC1=CC2=NN=CC=C2C=C1 AK134736 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.24 BrC1=CC=C2C(=C1)C=NC=C2 AK-26157 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AK-26028 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 AK-26679 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 AK-31792 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 AK-78425 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.24 C1=C(Br)C=CC2=C1C=CN=C2 AK-23508 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.24 C1=C(Br)C=CC2=CN=CN=C12 AK-23873 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.24 C1=C(Br)C=CC2=NC=NC=C12 AK-23857 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.24 C1=C(C=C2C(=C1)N=CC=C2)Cl AK-26786 [0,1,0,1,0,0|1,0,0]=3 280 B12R2.24 C1=C(F)C=CC2=C1C=CC=N2 AK-30337 [0,1,0,1,0,0|1,0,0]=3 281 B12R2.24 C1=C(N)C=CC2=C1N=CC=C2 AK-23984 [0,1,0,1,0,0|1,0,0]=3 282 B12R2.24 C1=C(N)N=CC2=CC=CC=C12 AK-27774 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.24 C1=C(O)C=CC2=NC=CC=C12 AK-26149 [0,1,0,1,0,0|1,0,0]=3 284 B12R2.24 C1=C2C(=CC=C1Br)C=CC=C2 AK-35732 [0,1,0,1,0,0|1,0,0]=3 285 B12R2.24 C1=C2C(=NC=C1Cl)C=CC=C2 AK-39638 [0,1,0,1,0,0|1,0,0]=3 286 B12R2.24 C1=C2C(=NC=C1O)C=CC=C2 AK-26151 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.24 C1=CC(=CC2=C1C=CC=N2)Cl AK-39660 [0,1,0,1,0,0|1,0,0]=3 288 B12R2.24 C1=CC2=C(N=C1N)C=CC=C2 AK-26798 [0,1,0,1,0,0|1,0,0]=3 289 B12R2.24 C1=CC=C2C(=N1)C=CC(=C2)Br AK-26082 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,1,0,1,0,0|0,0,2]=4 291 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,1,0,1,0,0|1,0,1]=4 292 B12R2.24 C1=CC=CC2=CC=C(N=C12)Br AK-24234 [0,1,0,1,0,0|1,0,0]=3 293 B12R2.24 C1=CC=CC2=CC=C(N=C12)Cl AK-27768 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.24 C1=NC(=NC2=C1C=CC=C2)Cl AK-27695 [0,1,0,1,0,0|2,0,0]=4 295 B12R2.24 C1=NC=CC2=CC=C(C=C12)N AK-25639 [0,1,0,1,0,0|2,0,0]=4 296 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [0,1,0,1,0,0|1,0,0]=3 297 B12R2.24 CC1=NC2=NC=CC=C2C=C1 AK-44284 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.24 ClC1=CC2=C(C=C1)C=CN=C2 AK-39352 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.24 ClC1=CC2=C(C=NC=C2)C=C1 AK-35918 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AK-24474 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.24 ClC1=CC=C2C=CC=NC2=N1 AK-28846 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.24 ClC1=CN=C2N=CC=CC2=C1 AK-48179 [0,1,0,1,0,0|2,0,0]=4 303 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 AK-47004 [0,1,0,1,0,0|2,0,0]=4 304 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 AK-38087 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.24 FC1=CC2=C(C=CN=C2)C=C1 AK-54877 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.24 FC1=CC2=C(C=NC=C2)C=C1 AK-47714 [0,1,0,1,0,0|2,0,0]=4 307 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 AK110894 [0,1,0,1,0,0|1,0,0]=3 308 B12R2.24 IC1=CC=C2N=CC=CC2=C1 AK-28766 [0,1,0,1,0,0|1,0,0]=3 309 B12R2.24 IC1=CC=C2N=CC=NC2=C1 AK155419 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.24 IC1=CC=C2N=CN=CC2=C1 AK-23974 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.24 N1=C2C=CC(NC2=NC=C1)=O AK-31206 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.24 NC1=CC=C2C=CC=NC2=C1 AK173105 [0,1,0,1,0,0|1,0,0]=3 313 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AK-27243 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.24 NC1=CC=C2C=NC=NC2=C1 AK109813 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AK-29433 [0,1,0,1,0,0|1,0,0]=3 316 B12R2.24 NC1=CC=C2N=CC=NC2=C1 AK-94067 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.24 NC1=NC2=C(C=CC=C2)N=C1 AK-30450 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.24 NC1=NC2=CC=CC=C2C=N1 AK-24681 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.24 NC1=NC2=CC=CN=C2C=C1 AK-33784 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.24 NC1=NC2=NC=CC=C2C=C1 AK-60468 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,1,0,1,0,0|1,0,1]=4 322 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,1,0,1,0,0|1,0,1]=4 323 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,1,0,1,0,0|1,0,1]=4 324 B12R2.24 O=C1NC2=CC=CN=C2C=C1 AK-38086 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.24 O=C1NC2=CN=CC=C2C=C1 AK-40195 [0,1,0,1,0,0|1,0,0]=3 326 B12R2.24 OC1=CC2=C(C=NC=C2)C=C1 AK-24368 [0,1,0,1,0,0|1,0,1]=4 327 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AK-24768 [0,1,0,1,0,0|1,0,0]=3 328 B12R2.24 OC1=CC=C2N=CC=NC2=C1 AK112533 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 AK100046 [0,1,0,1,0,0|0,0,1]=3 330 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 AK-28738 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.132 BrC1=CC2=C(C=C1)OCC2=O AK-28271 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.132 C1=CC(=CC2=C1CCC2=O)Br AK-26732 [0,1,0,1,0,0|0,0,2]=4 333 B12R2.132 C1=CC2=C(C(OC2)=O)C=C1Br AK-33925 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 AK-87674 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [0,1,0,1,0,0|0,0,2]=4 336 B12R2.132 FC1=CC=C2COC(=O)C2=C1 AK-80844 [0,1,0,1,0,0|1,0,1]=4 337 B12R2.132 FC1=CC=C2ONC(=O)C2=C1 AK100151 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.132 IC1=CC=C2COC(=O)C2=C1 AK-35552 [0,1,0,1,0,0|1,0,1]=4 339 B12R2.132 NC1=CC=C2ONC(=O)C2=C1 AK-80717 [0,1,0,1,0,0|2,0,0]=4 340 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [0,1,0,1,0,0|0,0,2]=4 341 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 AK-28079 [0,1,0,1,0,0|0,0,2]=4 342 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AK-35907 [0,1,0,1,0,0|0,0,2]=4 343 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 AK-41679 [0,1,0,1,0,0|1,0,1]=4 344 B12R2.132 O=C1NCC2=C1C=C(N)C=C2 AK-43743 [0,1,0,1,0,0|1,0,1]=4 345 B12R2.132 O=C1NOC2=CC=C(Br)C=C12 AK-59832 [0,1,0,1,0,0|2,0,0]=4 346 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [0,1,0,1,0,0|1,0,1]=4 347 B12R2.132 OC1=CC2=C(NC=C2C)C=C1 AK-49261 [0,1,0,1,0,0|2,0,0]=4 348 B12R2.2 C1(=CC=CC=C1)C2=NC=CS2 AK-45808 [0,1,0,1,0,0|0,1,0]=3 349 B12R2.2 C1(C2=CC=CC=C2)=CC=CS1 AK117454 [0,1,0,1,0,0|0,1,0]=3 350 B12R2.2 C1(C2=CC=CC=C2)=CNN=C1 AK-30224 [0,1,0,1,0,0|2,0,0]=4 351 B12R2.2 C1(C2=CC=CC=C2)=NC=CN1 AK-88712 [0,1,0,1,0,0|1,0,0]=3 352 B12R2.2 C1(C2=CC=CS2)=NC=CC=C1 AK-87680 [0,1,0,1,0,0|1,1,0]=4 353 B12R2.2 C1(C2=CNC=N2)=CC=CN=C1 AK-35428 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.2 C1(C2=NC=CN2)=NC=CC=C1 AK121234 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.2 C1(C2=NNC=C2)=NC=CC=C1 AK-39278 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.2 C1(N2N=CC=C2)=NC=CC=C1 AK141969 [0,1,0,1,0,0|2,0,0]=4 357 B12R2.2 C1=NN(C=N1)C2=CC=CC=C2 AK-81493 [0,1,0,1,0,0|2,0,0]=4 358 B12R2.2 N1(C2=CC=CC=C2)C=CN=C1 AK113470 [0,1,0,1,0,0|2,0,0]=4 359 B12R2.2 N1(C2=CC=CC=C2)N=CC=N1 AK139751 [0,1,0,1,0,0|2,0,0]=4 360 B12R2.2 N1C=CC(=N1)C2=CC=CC=C2 AK-39279 [0,1,0,1,0,0|1,0,0]=3 361 B12R2.2 N1C=CC=C1C2=CC=CC=C2 AK-84792 [0,1,0,1,0,0|1,0,0]=3 362 B12R2.2 O1C=NC=C1C2=CC=CC=C2 AK-40844 [0,1,0,1,0,0|0,0,1]=3 363 B12R2.1081 BrC1=C2C(=CC=C1)N=CN=C2 AK-27553 [0,1,0,1,0,0|2,0,0]=4 364 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 AK-45309 [0,1,0,1,0,0|1,0,0]=3 365 B12R2.1081 BrC1=C2C=CC=CC2=NC=N1 AK-29212 [0,1,0,1,0,0|2,0,0]=4 366 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 AK133189 [0,1,0,1,0,0|1,0,0]=3 367 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 AK-25821 [0,1,0,1,0,0|2,0,0]=4 368 B12R2.1081 BrC1=CC=CC2=CN=CN=C12 AK-30606 [0,1,0,1,0,0|2,0,0]=4 369 B12R2.1081 BrC1=NC=CC2=CC=CC=C12 AK-25454 [0,1,0,1,0,0|1,0,0]=3 370 B12R2.1081 BrC1=NC=CC2=CC=CN=C12 AK100849 [0,1,0,1,0,0|2,0,0]=4 371 B12R2.1081 C1=C2C(=CC=C1)N=CC=C2N AK-26148 [0,1,0,1,0,0|1,0,0]=3 372 B12R2.1081 C1=CC2=C(C(=CN=C2)Br)C=C1 AK-25455 [0,1,0,1,0,0|1,0,0]=3 373 B12R2.1081 C1=CC=C(C2=C1C=CC=N2)Br AK-26643 [0,1,0,1,0,0|1,0,0]=3 374 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br AK-23820 [0,1,0,1,0,0|1,0,0]=3 375 B12R2.1081 C1=CC=C(C2=CC=NC=C12)O AK-24783 [0,1,0,1,0,0|1,0,1]=4 376 B12R2.1081 C1=CC=C2C(=C1C)N=CC=N2 AK-26752 [0,1,0,1,0,0|2,0,0]=4 377 B12R2.1081 C1=CC=C2C(=C1Cl)N=CC=C2 AK-26177 [0,1,0,1,0,0|1,0,0]=3 378 B12R2.1081 C1=CC=C2C(=N1)NC=NC2=O AK-24879 [0,1,0,1,0,0|2,0,0]=4 379 B12R2.1081 C1=CC=CC2=C(C=CN=C12)Cl AK-28421 [0,1,0,1,0,0|1,0,0]=3 380 B12R2.1081 C1=CC=CC2=C1C(=CC=N2)Br AK-26612 [0,1,0,1,0,0|1,0,0]=3 381 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 AK-29295 [0,1,0,1,0,0|0,0,0]=2 382 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,1,0,1,0,0|0,0,2]=4 383 B12R2.1081 C1=NC=CC2=CC=CC(=C12)Br AK-23877 [0,1,0,1,0,0|2,0,0]=4 384 B12R2.1081 CC1=C2C=CC=CC2=NC=N1 AK-31000 [0,1,0,1,0,0|2,0,0]=4 385 B12R2.1081 CC1=CC=CC2=C1C=CC=N2 AK-46913 [0,1,0,1,0,0|1,0,0]=3 386 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 AK-39656 [0,1,0,1,0,0|1,0,0]=3 387 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 AK-27231 [0,1,0,1,0,0|2,0,0]=4 388 B12R2.1081 ClC1=CC=CC2=C1C=CN=C2 AK-29369 [0,1,0,1,0,0|2,0,0]=4 389 B12R2.1081 ClC1=CC=CC2=C1C=NC=C2 AK-39665 [0,1,0,1,0,0|2,0,0]=4 390 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 AK-28809 [0,1,0,1,0,0|1,0,0]=3 391 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 AK-30305 [0,1,0,1,0,0|1,0,0]=3 392 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 AK-41676 [0,1,0,1,0,0|1,0,0]=3 393 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 AK-53721 [0,1,0,1,0,0|1,0,0]=3 394 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 AK340738 [0,1,0,1,0,0|1,0,0]=3 395 B12R2.1081 IC1=C2N=CC=CC2=CC=C1 AK-44220 [0,1,0,1,0,0|1,0,0]=3 396 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 AK-26427 [0,1,0,1,0,0|1,0,0]=3 397 B12R2.1081 IC1=CC=CC2=C1C=CN=C2 AK-81368 [0,1,0,1,0,0|2,0,0]=4 398 B12R2.1081 IC1=CC=NC2=CC=CC=C12 AK-44562 [0,1,0,1,0,0|1,0,0]=3 399 B12R2.1081 IC1=CN=CC2=CC=CC=C12 AK-24960 [0,1,0,1,0,0|1,0,0]=3 400 B12R2.1081 N1=CNC(C2=C1C=NC=C2)=O AK-24525 [0,1,0,1,0,0|2,0,0]=4 401 B12R2.1081 NC1=C2C=CC=CC2=NN=C1 AK-80159 [0,1,0,1,0,0|2,0,0]=4 402 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 AK-26178 [0,1,0,1,0,0|1,0,0]=3 403 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 AK-21797 [0,1,0,1,0,0|2,0,0]=4 404 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 AK-35724 [0,1,0,1,0,0|1,0,0]=3 405 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 AK-25297 [0,1,0,1,0,0|2,0,0]=4 406 B12R2.1081 NC1=CN=CC2=C1C=CC=C2 AK-24246 [0,1,0,1,0,0|1,0,0]=3 407 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 AK-41400 [0,1,0,1,0,0|1,0,0]=3 408 B12R2.1081 NC1=NC=CC2=NC=CC=C12 AK100850 [0,1,0,1,0,0|2,0,0]=4 409 B12R2.1081 NC1=NC=NC2=CC=CC=C12 AK-26724 [0,1,0,1,0,0|2,0,0]=4 410 B12R2.1081 O=C1C2=C(N=CC=C2)C=CN1 AK-32107 [0,1,0,1,0,0|1,0,0]=3 411 B12R2.1081 O=C1C=CNC2=CN=CC=C12 AK-73154 [0,1,0,1,0,0|1,0,0]=3 412 B12R2.1081 O=C1C=COC2=CC=CC=C12 AK-26021 [0,1,0,1,0,0|0,0,0]=2 413 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 AK-46528 [0,1,0,1,0,0|1,0,0]=3 414 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,1,0,1,0,0|0,0,2]=4 415 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,1,0,1,0,0|0,0,2]=4 416 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,1,0,1,0,0|0,0,2]=4 417 B12R2.1081 O=C1NC=CC2=C1C=CN=C2 AK-25181 [0,1,0,1,0,0|1,0,0]=3 418 B12R2.1081 O=C1NC=CC2=C1N=CC=C2 AK-31219 [0,1,0,1,0,0|1,0,0]=3 419 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 AK-27831 [0,1,0,1,0,0|1,0,0]=3 420 B12R2.1081 O=C1NC=NC2=CC=CN=C12 AK-89998 [0,1,0,1,0,0|2,0,0]=4 421 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,1,0,1,0,0|0,0,2]=4 422 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 AK-28151 [0,1,0,1,0,0|1,0,1]=4 423 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 AK-26147 [0,1,0,1,0,0|1,0,0]=3 424 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 AK-33354 [0,1,0,1,0,0|1,0,0]=3 425 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 AK-58228 [0,1,0,1,0,0|1,0,0]=3 426 B12R2.1081 OC1=C2N=CC=NC2=CC=C1 AK-26680 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.1081 OC1=C2N=CN=CC2=CC=C1 AK-64837 [0,1,0,1,0,0|2,0,0]=4 428 B12R2.1081 OC1=CC=CC2=C1C=NC=C2 AK-39666 [0,1,0,1,0,0|1,0,1]=4 429 B12R2.1081 OC1=CC=NC2=CC=CC=C12 AK-30059 [0,1,0,1,0,0|0,0,1]=3 430 B12R2.1081 OC1=CC=NC2=CC=CN=C12 AK-31914 [0,1,0,1,0,0|1,0,1]=4 431 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 AK-24961 [0,1,0,1,0,0|0,0,1]=3 432 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,1,0,1,0,0|0,0,2]=4 433 B12R2.2028 N=C1NC(C2=C1C=CC=C2)=N AK117363 [0,1,0,1,0,0|2,0,0]=4 434 B12R2.2028 O=C1C2=C(C=CC=C2)C([N-]1)=O AK-98651 [0,1,0,1,0,0|1,0,0]=3 435 B12R2.2028 O=C1CC(C2=C1C=CC=C2)=O AK307475 [0,1,0,1,0,0|0,0,1]=3 436 B12R2.2028 O=C1NC(C2=NC=CC=C21)=O AK-44366 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [0,1,0,1,0,0|1,0,1]=4 438 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [0,1,0,1,0,0|2,0,0]=4 439 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AK-41089 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.2028 O=C1OC(C2=CC=CN=C12)=O AK-44064 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,1,0,1,0,0|1,0,1]=4 442 B12R2.32 C1=C(C#N)SC2=C1C=CC=C2 AK-29384 [0,1,0,1,0,0|1,0,1]=4 443 B12R2.32 C1=C(OC2=C1C=CC=C2)C#N AK-23549 [0,1,0,1,0,0|1,0,1]=4 444 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 AK123403 [0,1,0,1,0,0|1,0,1]=4 446 B12R2.32 NCC=1NC2=C(C1)C=CC=C2 AK-27799 [0,1,0,1,0,0|1,0,1]=4 447 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [0,1,0,1,0,0|0,0,0]=2 448 B12R2.32 O=CC1=CC2=CC=CN=C2S1 AK298904 [0,1,0,1,0,0|1,0,0]=3 449 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [0,1,0,1,0,0|1,0,0]=3 450 B12R2.32 O=CC1=NC2=CC=CC=C2S1 AK-30101 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.32 OCC1=CC2=CC=CC=C2S1 AK-48826 [0,1,0,1,0,0|0,0,2]=4 452 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [0,1,0,1,0,0|0,0,2]=4 453 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [0,1,0,1,0,0|0,0,0]=2 454 B12R2.196 BrC1=C2C(=CC=C1)C(NC2)=O AK-37750 [0,1,0,1,0,0|1,0,1]=4 455 B12R2.196 BrC1=CC=CC2=C1COC2=O AK-30225 [0,1,0,1,0,0|1,0,1]=4 456 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AK-75612 [0,1,0,1,0,0|0,0,2]=4 457 B12R2.196 ClC1=C2C(=CC=C1)C(CC2)=O AK-28796 [0,1,0,1,0,0|0,0,2]=4 458 B12R2.196 O=C1CCC2=C1C=CC=C2Br AK-31085 [0,1,0,1,0,0|0,0,2]=4 459 B12R2.196 O=C1CCC2=C1C=CC=C2F AK-30423 [0,1,0,1,0,0|0,0,2]=4 460 B12R2.196 O=C1CCC2=C1C=CC=C2N AK-29325 [0,1,0,1,0,0|0,0,2]=4 461 B12R2.196 O=C1COC2=C(Br)C=CC=C12 AK-49048 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.196 O=C1OCC2=C1C=CC=C2N AK-41573 [0,1,0,1,0,0|1,0,1]=4 463 B12R2.196 OC1=C2C(=CC=C1)C(CC2)=O AK-39828 [0,1,0,1,0,0|0,0,2]=4 464 B12R2.196 OC1=CC=CC2=C1C=CN2C AK-77291 [0,1,0,1,0,0|2,0,0]=4 465 B12R2.196 OC1=CC=CC2=C1CNC2=O AK-43729 [0,1,0,1,0,0|1,0,1]=4 466 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AK-41002 [0,1,0,1,0,0|0,0,2]=4 467 B12R2.203 FC1=C2C(=O)COC2=CC=C1 AK100224 [0,1,0,1,0,0|1,0,1]=4 468 B12R2.203 FC1=C2C(=O)NOC2=CC=C1 AK100152 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.203 FC1=C2C(CCC2=CC=C1)=O AK-30094 [0,1,0,1,0,0|0,0,2]=4 470 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AK-28759 [0,1,0,1,0,0|0,0,2]=4 471 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 AK-29207 [0,1,0,1,0,0|0,0,2]=4 472 B12R2.203 O=C1CCC2=C1C(N)=CC=C2 AK-30069 [0,1,0,1,0,0|0,0,2]=4 473 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 AK-36137 [0,1,0,1,0,0|0,0,2]=4 474 B12R2.612 BrC1=CC=C2C(=O)NOC2=C1 AK-76119 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [0,1,0,1,0,0|1,0,1]=4 476 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,1,0,1,0,0|0,0,2]=4 477 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 AK-82052 [0,1,0,1,0,0|2,0,0]=4 478 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.612 NC1=CC2=C(N(C)C=C2)C=C1 AK-32682 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,1,0,1,0,0|0,0,2]=4 482 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|0,0,2]=4 483 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,1,0,1,0,0|0,0,2]=4 484 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,1,0,1,0,0|0,0,2]=4 485 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,1,0,1,0,0|0,0,2]=4 486 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AK-33982 [0,1,0,1,0,0|1,0,1]=4 487 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AK-25773 [0,1,0,1,0,0|1,0,1]=4 488 B12R2.612 O=C1COC2=CC(O)=CC=C12 AK-27229 [0,1,0,1,0,0|1,0,1]=4 489 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 AK-99888 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.612 O=C1NOC2=CC(C)=CC=C12 AK-67760 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.612 O=C1NSC2=CC(F)=CC=C12 AK126238 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,1,0,1,0,0|1,0,1]=4 493 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.612 OC1=CC2=C(C=C1)C(=O)N=C2 AK-64733 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.1 C1=C(C2=C(N=CC=C2)[NH]1)C=O AK-24128 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.1 C1=C(C2=C(S1)C=CC=C2)C=O AK-27012 [0,1,0,1,0,0|0,0,0]=2 497 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N AK-73136 [0,1,0,1,0,0|1,0,1]=4 498 B12R2.1 N#CC1=CSC2=C1C=CC=C2 AK-80846 [0,1,0,1,0,0|1,0,1]=4 499 B12R2.1 NCC1=CNC2=C1C=CC=C2 AK-22163 [0,1,0,1,0,0|1,0,1]=4 500 B12R2.1 O=CC1=C2C=CC=CN2C=N1 AK-49925 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.1 O=CC1=CN=C2C=CC=CN12 AK-44714 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AK-49824 [0,1,0,1,0,0|0,0,0]=2 503 B12R2.1 O=CC1=CNC2=C1C=CN=C2 AK-68309 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.1 O=CC1=CNC2=C1C=NC=C2 AK-41565 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.1 O=CC1=CNC2=C1C=NC=N2 AK102816 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.1 O=CC1=CNC2=CC=CN=C21 AK-40504 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.1 O=CC1=COC2=C1C=CC=C2 AK-35267 [0,1,0,1,0,0|0,0,0]=2 508 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AK-45326 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.18 BrC1=C(Br)SC2=CC=CC=C21 AK101330 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 AK-28158 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,1,0,1,0,0|0,0,1]=3 514 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [0,1,0,1,0,0|2,0,0]=4