0 B12R2.18 BrC1=C(Br)SC2=CC=CC=C21 AK101330 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 AK-28158 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,0,0,0,0,0|1,0,2]=3 4 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.18 ClC1=C(Br)N=C2C=CC=CN21 AK-27971 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O AK-24554 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.1 BrC1=C2C=CC=CN2N=C1 AK-28449 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 BrC1=CN=C2C=CC=CN21 AK-35317 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 BrC1=CNC2=C1C=CN=C2 AK-28368 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 BrC1=CNC2=C1C=NC=C2 AK115942 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [1,0,0,0,0,0|1,0,0]=2 14 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [1,0,0,0,0,0|1,1,0]=3 15 B11R2.1 BrC1=CSC2=C1C=NC=C2 AK-79310 [1,0,0,0,0,0|2,1,0]=4 16 B11R2.1 BrC1=CSC2=NC=CC=C21 AK-30778 [1,0,0,0,0,0|2,1,0]=4 17 B11R2.1 BrC1=C[NH]C2=CC=CN=C12 AK-65326 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 BrC1=C[NH]C2=NC=CC=C12 AK-24119 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 BrC1=NNC2=C1C=CC=C2 AK-23691 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [1,0,0,0,0,0|1,0,0]=2 21 B11R2.1 C1=CC=CC2=C([NH]N=C12)Cl AK-25715 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 C1=CC=CC2=C1C(=NS2)N AK-26866 [1,0,0,0,0,0|2,1,0]=4 23 B11R2.1 C1=CC=CC2=C1C(=N[NH]2)N AK-26928 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,0,0,0|2,0,1]=4 25 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,0,0,0|1,0,1]=3 26 B11R2.1 CC1=C2C=CC=NC2=N[NH]1 AK-28223 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.1 CC1=CNC2=C1C=CC=N2 AK-49155 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.1 CC1=NN=C2C=CC=CN12 AK-87279 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 CC1=NNC2=C1C=CN=C2 AK-55059 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 CC1=NNC2=CC=CN=C21 AK-30702 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.1 C[N]1C2=NC=CC=C2C=C1 AK-24546 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.1 ClC1=C2C=CC=CN2N=C1 AK165560 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.1 ClC1=CNC2=C1C=CC=N2 AK-25034 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.1 ClC1=NOC2=C1C=CC=C2 AK-24058 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.1 ClC1=NSC2=CC=CC=C12 AK-37779 [1,0,0,0,0,0|2,1,0]=4 40 B11R2.1 IC1=CNC2=C1C=CN=C2 AK-64834 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.1 IC1=CNC2=C1C=NC=C2 AK-68321 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.1 IC1=CNC2=CC=CN=C21 AK-68393 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.1 IC1=NNC2=C1C=CC=C2 AK-24807 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 NC1=NOC2=C1C=CN=C2 AK-30699 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.1 NC1=NOC2=CC=CN=C21 AK-30698 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [1,0,0,0,0,0|1,0,2]=4 49 B11R2.1 O1C2=C(C(=N1)N)C=CC=C2 AK-23544 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,0,0,0|1,1,1]=4 51 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [1,0,0,0,0,0|1,1,0]=3 55 B11R2.10 BrC1=CC2=C(N1)N=CC=C2 AK-42548 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [1,0,0,0,0,0|1,1,0]=3 57 B11R2.10 BrC1=CC2=CC=CN=C2S1 AK138413 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.10 BrC1=C[N]2C(=N1)C=CC=C2 AK-27151 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.10 BrC1=NC2=C(N1)C=CC=C2 AK-35600 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [1,0,0,0,0,0|1,0,0]=2 61 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [1,0,0,0,0,0|2,0,0]=3 63 B11R2.10 C1=CC=CC2=C1N=C(Cl)S2 AK-44922 [1,0,0,0,0,0|2,1,0]=4 64 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [1,0,0,0,0,0|2,1,0]=4 65 B11R2.10 C1=CC=CC2=C1SC(=N2)Br AK-27048 [1,0,0,0,0,0|2,1,0]=4 66 B11R2.10 C1=CC=NC2=C1OC(N2)=O AK-28047 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [1,0,0,0,0,0|0,1,0]=2 68 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [1,0,0,0,0,0|1,0,0]=2 69 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [1,0,0,0,0,0|2,0,0]=3 70 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [1,0,0,0,0,0|1,1,0]=3 71 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [1,0,0,0,0,0|2,0,0]=3 72 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [1,0,0,0,0,0|1,0,0]=2 73 B11R2.10 CC1=NC2=NC=CC=C2N1 AK-39947 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.10 CC1=NC2=NC=CC=C2O1 AK-30675 [1,0,0,0,0,0|2,0,0]=3 75 B11R2.10 ClC1=NC2=CC=CC=C2N1 AK-26782 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.10 ClC1=NC2=NC=CC=C2O1 AK170313 [1,0,0,0,0,0|3,0,0]=4 77 B11R2.10 ClC1=NN2C=CC=CC2=C1 AK-35822 [1,0,0,0,0,0|3,0,0]=4 78 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [1,0,0,0,0,0|2,0,0]=3 79 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [1,0,0,0,0,0|2,0,0]=3 80 B11R2.10 IC1=CC2=CC=CN=C2N1 AK-76575 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.10 IC1=NC2=C(S1)C=CC=C2 AK-24182 [1,0,0,0,0,0|2,1,0]=4 82 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [1,0,0,0,0,0|1,1,0]=3 83 B11R2.10 NC1=NC2=C(O1)C=CN=C2 AK-80598 [1,0,0,0,0,0|3,0,0]=4 84 B11R2.10 NC1=NC2=CC=CC=C2N1 AK-54965 [1,0,0,0,0,0|3,0,0]=4 85 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [1,0,0,0,0,0|2,0,0]=3 86 B11R2.10 NC1=NC2=CC=CC=C2S1 AK-41354 [1,0,0,0,0,0|2,1,0]=4 87 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [1,0,0,0,0,0|2,0,1]=4 88 B11R2.10 O=C1NN2C=CC=CC2=C1 AK-89755 [1,0,0,0,0,0|3,0,0]=4 89 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [1,0,0,0,0,0|1,0,1]=3 90 B11R2.10 OC1=CC2=C(N1)N=CC=C2 AK103904 [1,0,0,0,0,0|3,0,0]=4 91 B11R2.10 OC1=CN2C=CC=CC2=N1 AK-88442 [1,0,0,0,0,0|3,0,0]=4 92 B11R2.10 OC1=NC2=CC=CC=C2O1 AK-35787 [1,0,0,0,0,0|2,0,0]=3 93 B11R2.10 S=C1OC2=CC=CN=C2N1 AK-32376 [1,0,0,0,0,0|3,0,0]=4 94 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [1,0,0,0,0,0|2,1,0]=4 95 B11R2.10 SC1=NC2=CC=CC=C2O1 AK161762 [1,0,0,0,0,0|2,0,0]=3 96 B11R2.10 SC1=NC2=NC=CC=C2O1 AK-49565 [1,0,0,0,0,0|3,0,0]=4 97 B13R2.45 CC1=C(NC2=C1C=CC=C2)C#N AK-49345 [0,1,0,0,0,0|1,0,1]=3 98 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 AK-45349 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 AK-68772 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.45 CN1\C(SC2=CC=CC=C12)=N\N AK-49748 [0,1,0,0,0,0|2,1,0]=4 101 B13R2.45 O=CC1=NC2=CC=CC=C2N1C AK-27082 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.135 C1=CC=CC2=C1C(=C(C)[NH]2)C=O AK-16445 [0,1,0,0,0,0|1,0,1]=3 103 B13R2.135 CC1=C(C=O)C2=C(N1)N=CC=C2 AK-31266 [0,1,0,0,0,0|2,0,1]=4 104 B13R2.135 CC=1N(CC)C2=C(C1)C=CC=C2 AK-87148 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.135 CCN1C(Cl)=NC2=CC=CC=C12 AK158159 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.135 N#CC1=C(C)NC2=C1C=CC=C2 AK-46068 [0,1,0,0,0,0|1,0,1]=3 107 B13R2.135 N#CC1=C(N)SC2=CC=CC=C21 AK-32325 [0,1,0,0,0,0|1,1,1]=4 108 B13R2.135 O=C1N(CC)C2=CC=CC=C2N1 AK-92954 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.135 O=CC1=C(Br)SC2=CC=CC=C21 AK150700 [0,1,0,0,0,0|1,1,1]=4 110 B13R2.359 C1=CC=C2C(C(=NC2=C1)C)(C)C AK-47497 [0,1,0,0,0,0|1,0,1]=3 111 B13R2.359 C1=CC=CC2=C1C(C(=O)N2)(C)C AK-39322 [0,1,0,0,0,0|2,0,1]=4 112 B13R2.3028 C1=C(Cl)C=CC2=C1C(C(=O)N2)=O AK-28898 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.3028 C1=C(F)C=CC2=C1C(C(=O)N2)=O AK-29255 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.3028 CC1=C(C)C2=CC(F)=CC=C2N1 AK-78906 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.3028 CC1=C(C)NC2=C1C=C(Br)C=C2 AK-49810 [0,1,0,0,0,0|1,0,0]=2 116 B13R2.3028 CC1=C(C)NC2=C1C=C(Cl)C=C2 AK-50295 [0,1,0,0,0,0|1,0,0]=2 117 B13R2.3028 CC1CC2=CC=C(Cl)C=C2C1=O AK-80536 [0,1,0,0,0,0|2,0,1]=4 118 B13R2.3028 CN1N=C2C=CC(Br)=CC2=C1C AK-79857 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.3028 O=C1N(C)CC2=C1C=C(Br)C=C2 AK145288 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O AK-45956 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.3085 CN1C(=O)C2=C(C=CC=C2)C1=O AK-81927 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O AK-76989 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.3085 O=C1N(C)C2=CC=CC=C2N1C AK189225 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 AK-26794 [0,1,0,0,0,0|3,0,0]=4 125 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl AK-26712 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 AK-75781 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.4825 CN1CC2=C(C=CC=C2Br)C1=O AK-37749 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.4825 FC1=C2NC(C(C2=CC=C1)=O)=O AK-29137 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.4856 BrC1=C2C(=CC=C1)NC(C2=O)=O AK-31884 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.4856 C1=CC=C(C2=C1NC(=O)C2=O)Cl AK-30079 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.4856 CC1=C(C)C2=C(S1)N=CNC2=O AK103776 [0,1,0,0,0,0|2,1,0]=4 132 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O AK-34773 [0,1,0,0,0,0|3,0,0]=4 133 B13R2.4856 NC1=NC2=CC=CC(C)=C2N1C AK145901 [0,1,0,0,0,0|3,0,0]=4 134 B13R2.5190 C1=C(Br)C=CC2=C1NC(=O)C2=O AK-27181 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.5190 C1=C(Cl)C=CC2=C1NC(=O)C2=O AK-30078 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.5190 CN1N=C2C=C(N)C=CC2=C1C AK-87346 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.5190 NC1=CC2=NN(C)C(C)=C2C=C1 AK-94426 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.5190 NC1=NC2=CC(C)=CC=C2N1C AK-48225 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 AK141512 [0,1,0,0,0,0|2,0,1]=4 140 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 AK117249 [0,1,0,0,0,0|2,0,1]=4 141 B13R2.5190 O=C1N(C)CC2=C1C=CC(Br)=C2 AK-37748 [0,1,0,0,0,0|3,0,0]=4 142 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O AK-41871 [0,1,0,0,0,0|3,0,0]=4 143 B13R2.5190 O=C1OC2=CC(Br)=CC=C2N1C AK166925 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,0,1,0,0,0|2,0,1]=4 145 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,0,1,0,0,0|1,0,1]=3 146 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,0,1,0,0,0|2,0,1]=4 147 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,0,1,0,0,0|1,0,1]=3 148 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,0,1,0,0,0|1,0,1]=3 149 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,0,1,0,0,0|1,0,2]=4 150 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,0,1,0,0,0|1,0,1]=3 151 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,0,1,0,0,0|1,0,2]=4 152 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,0,1,0,0,0|2,0,1]=4 153 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,0,1,0,0,0|2,0,1]=4 154 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,0,1,0,0,0|2,0,1]=4 155 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,0,1,0,0,0|2,0,1]=4 156 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,0,1,0,0,0|2,0,1]=4 157 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,0,1,0,0,0|2,0,1]=4 158 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,0,1,0,0,0|2,0,1]=4 159 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,0,1,0,0,0|2,0,1]=4 160 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,1,0,0,0|2,0,0]=3 162 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,1,0,0,0|2,0,1]=4 163 B11R1.41 CNCC1=CC=CC=C1OC AK-89681 [0,0,1,0,0,0|3,0,0]=4 164 B11R1.41 CNCC1=CC=CC=C1OC AK161757 [0,0,1,0,0,0|3,0,0]=4 165 B11R1.41 N#CC1=CC=CC=C1OCC AK158954 [0,0,1,0,0,0|1,0,2]=4 166 B11R1.41 O=CC1=CC=CC=C1OCC AK156421 [0,0,1,0,0,0|1,0,1]=3 167 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,0,1,0,0,0|3,0,0]=4 168 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,0,1,0,0,0|2,0,1]=4 169 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,0,1,0,0,0|3,0,0]=4 170 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,0,1,0,0,0|1,0,2]=4 171 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [0,0,1,0,0,0|3,0,0]=4 172 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,0,1,0,0,0|3,0,0]=4 173 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [0,0,1,0,0,0|3,0,0]=4 175 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,0,1,0,0,0|3,0,0]=4 176 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,0,1,0,0,0|3,0,0]=4 177 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,0,1,0,0,0|3,0,0]=4 178 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,0,1,0,0,0|2,1,0]=4 179 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [0,0,1,0,0,0|3,0,0]=4 180 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [0,0,1,0,0,0|3,0,0]=4 181 B13R2.32 BrC1=C(Br)N=CC2=C1C=CC=C2 AK-49733 [0,0,0,0,0,1|3,0,0]=4 182 B13R2.32 CC1=C(N)C2=C(C=CC=C2)C=C1 AK-81542 [0,0,0,0,0,1|2,0,0]=3 183 B13R2.32 CC1=C(O)C2=C(C=CC=C2)C=C1 AK-45771 [0,0,0,0,0,1|2,0,0]=3 184 B13R2.32 CC1=C2N=CC=CC2=CC=C1Br AK-93916 [0,0,0,0,0,1|3,0,0]=4 185 B13R2.32 CC1=C2N=CC=CC2=CC=C1Cl AK-39413 [0,0,0,0,0,1|3,0,0]=4 186 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O AK110949 [0,0,0,0,0,1|2,0,1]=4 187 B13R2.32 ClC1=C(Br)C=NC2=C1C=CC=C2 AK-36273 [0,0,0,0,0,1|3,0,0]=4 188 B13R2.32 ClC1=C(C2=CC=CC=C2C=N1)N AK-24958 [0,0,0,0,0,1|3,0,0]=4 189 B13R2.32 IC1=C(Cl)C2=CC=CC=C2N=C1 AK114474 [0,0,0,0,0,1|3,0,0]=4 190 B13R2.32 NC1=C(C=NC2=CC=CC=C12)Br AK-23731 [0,0,0,0,0,1|3,0,0]=4 191 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 AK156251 [0,0,0,0,0,1|3,0,0]=4 192 B13R2.32 NC1=C(N=CC2=CC=CC=C12)Br AK-24957 [0,0,0,0,0,1|3,0,0]=4 193 B13R2.32 O=C1N(C)C=CC2=C1C=CC=C2 AK118859 [0,0,0,0,0,1|3,0,0]=4 194 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 AK-32485 [0,0,0,0,0,1|3,0,0]=4 195 B13R2.32 OC1=C(C)C2=CC=CC=C2N=C1 AK131001 [0,0,0,0,0,1|2,0,0]=3 196 B13R2.32 OC1=C(I)C=NC2=CC=CC=C12 AK146195 [0,0,0,0,0,1|3,0,0]=4 197 B13R2.32 OC1=C2C=CC=CC2=NN=C1Br AK137688 [0,0,0,0,0,1|3,0,0]=4 198 B13R2.32 OC1=CC=C2C=CC=CC2=C1Br AK-75886 [0,0,0,0,0,1|3,0,0]=4 199 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl AK405288 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.328 BrC1=NC(=CC2=CC=CC=C12)Br AK-24473 [0,0,0,0,0,1|3,0,0]=4 201 B13R2.328 BrC1=NC2=C(C=CC=C2)C(Br)=C1 AK-72566 [0,0,0,0,0,1|3,0,0]=4 202 B13R2.328 BrC1=NC2=CC=CC=C2C(=N1)Br AK-24255 [0,0,0,0,0,1|3,0,0]=4 203 B13R2.328 BrC1=NC2=CC=CC=C2C(N)=C1 AK-31026 [0,0,0,0,0,1|3,0,0]=4 204 B13R2.328 C1=CC2=C(C=C1)N=C(N=C2Cl)Cl AK-28695 [0,0,0,0,0,1|3,0,0]=4 205 B13R2.328 C1=CC=CC2=C1C(NC(C2)=O)=O AK-24472 [0,0,0,0,0,1|3,0,0]=4 206 B13R2.328 C1=CC=CC2=C1N=C(N=C2C)C AK-46661 [0,0,0,0,0,1|1,0,0]=2 207 B13R2.328 CC1=C2C=CC=CC2=NC(Cl)=N1 AK-30464 [0,0,0,0,0,1|2,0,0]=3 208 B13R2.328 CC1=CC(Br)=C2C=CC=CC2=C1 AK127805 [0,0,0,0,0,1|2,0,0]=3 209 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 AK143362 [0,0,0,0,0,1|2,0,0]=3 210 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 AK-54599 [0,0,0,0,0,1|1,0,0]=2 211 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 AK101791 [0,0,0,0,0,1|3,0,0]=4 212 B13R2.328 CC1=CC(Cl)=NC2=C1C=CC=C2 AK-74209 [0,0,0,0,0,1|2,0,0]=3 213 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 AK-94090 [0,0,0,0,0,1|2,0,0]=3 214 B13R2.328 CC1CC(C)NC2=C1C=CC=C2 AK314918 [0,0,0,0,0,1|1,0,2]=4 215 B13R2.328 ClC1=CC2=C(C(Cl)=N1)C=CC=C2 AK-28004 [0,0,0,0,0,1|3,0,0]=4 216 B13R2.328 ClC1=NC(=NC2=CC=CC=C12)C AK-30091 [0,0,0,0,0,1|2,0,0]=3 217 B13R2.328 ClC1=NC2=C(C=CC=C2)C(Cl)=C1 AK-36160 [0,0,0,0,0,1|3,0,0]=4 218 B13R2.328 NC1=CC(C)=NC2=CC=CC=C12 AK-32600 [0,0,0,0,0,1|2,0,0]=3 219 B13R2.328 NC1=CC(Cl)=NC2=C1C=CC=C2 AK-31025 [0,0,0,0,0,1|3,0,0]=4 220 B13R2.328 NC1=CC(NC2=CC=CC=C12)=O AK-26697 [0,0,0,0,0,1|3,0,0]=4 221 B13R2.328 NC1=NC(Cl)=CC2=C1C=CC=C2 AK147558 [0,0,0,0,0,1|3,0,0]=4 222 B13R2.328 NC1=NC(Cl)=NC2=CC=CC=C12 AK-30469 [0,0,0,0,0,1|3,0,0]=4 223 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 AK151251 [0,0,0,0,0,1|3,0,0]=4 224 B13R2.328 NC1=NC2=CC=CC=C2C(N)=N1 AK-78965 [0,0,0,0,0,1|3,0,0]=4 225 B13R2.328 O=C1CC(C2=C(N1)C=CC=C2)=O AK-42607 [0,0,0,0,0,1|3,0,0]=4 226 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 AK-55016 [0,0,0,0,0,1|2,0,0]=3 227 B13R2.328 O=C1NC(C2=C(N1)C=CC=C2)=O AK-26998 [0,0,0,0,0,1|3,0,0]=4 228 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 AK-84561 [0,0,0,0,0,1|3,0,0]=4 229 B13R2.328 O=C1NC2=C(C=CC=C2)C(Br)=C1 AK-36929 [0,0,0,0,0,1|3,0,0]=4 230 B13R2.328 O=C1NC2=C(C=CC=C2)N(C)C1 AK-38608 [0,0,0,0,0,1|3,0,0]=4 231 B13R2.328 O=C1OC2=C(C=CC=C2)C(O)=C1 AK-49238 [0,0,0,0,0,1|2,0,0]=3 232 B13R2.328 OC1=C2C=CC=CC2=NC(C)=N1 AK-47027 [0,0,0,0,0,1|2,0,0]=3 233 B13R2.328 OC1=C2N=CC=CC2=CC(C)=C1 AK149934 [0,0,0,0,0,1|3,0,0]=4 234 B13R2.328 OC1=CC(C)=NC2=CC=CC=C12 AK499556 [0,0,0,0,0,1|2,0,0]=3 235 B13R2.328 OC1=NC(N)=C2C=CC=CC2=N1 AK-24683 [0,0,0,0,0,1|3,0,0]=4 236 B13R2.328 OC1=NC2=CC=CC=C2C(C)=C1 AK-38350 [0,0,0,0,0,1|2,0,0]=3 237 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 AK-57803 [0,0,0,0,0,1|3,0,0]=4 238 B13R2.369 BrC1=NC2=CC=CC=C2C=C1Br AK-39851 [0,0,0,0,0,1|3,0,0]=4 239 B13R2.369 CC1=C(Br)C=C2C=CC=NC2=C1 AK101770 [0,0,0,0,0,1|3,0,0]=4 240 B13R2.369 CC1=NC2=CC=CC=C2C=C1N AK-30794 [0,0,0,0,0,1|2,0,0]=3 241 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl AK-79092 [0,0,0,0,0,1|3,0,0]=4 242 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl AK-32080 [0,0,0,0,0,1|3,0,0]=4 243 B13R2.369 NC1=C(C)C=C2C=CC=NC2=C1 AK435742 [0,0,0,0,0,1|3,0,0]=4 244 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N AK-50115 [0,0,0,0,0,1|3,0,0]=4 245 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O AK-96652 [0,0,0,0,0,1|3,0,0]=4 246 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br AK-75962 [0,0,0,0,0,1|3,0,0]=4 247 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl AK113688 [0,0,0,0,0,1|3,0,0]=4 248 B13R2.369 NC1=NC2=CC=CC=C2N=C1N AK388486 [0,0,0,0,0,1|3,0,0]=4 249 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O AK-45516 [0,0,0,0,0,1|3,0,0]=4 250 B13R2.369 OC1=CC2=C(C=CC=C2)N=C1Cl AK-82046 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,0,1,0,0,0|1,0,1]=4 252 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,0,1,0,0,0|1,0,1]=4 254 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,0,1,0,0,0|1,0,1]=4 255 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,0,1,0,0,0|0,0,1]=3 256 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,0,1,0,0,0|1,0,1]=4 257 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,0,1,0,0,0|1,0,1]=4 258 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,1,0,0,0|1,0,0]=3 259 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [1,0,1,0,0,0|2,0,0]=4 261 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,0,1,0,0,0|0,0,2]=4 262 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,0,1,0,0,0|0,0,2]=4 263 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,0,1,0,0,0|1,0,1]=4 264 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,0,1,0,0,0|1,0,1]=4 268 B10R1.20 C1=C(C(=CC=C1)OC)NN AK-36141 [1,0,1,0,0,0|2,0,0]=4 269 B10R1.20 C1=CC=CC(=C1C#N)OC AK-44736 [1,0,1,0,0,0|1,0,1]=4 270 B10R1.20 COC1=C(C=CC=C1)C#C AK-45758 [1,0,1,0,0,0|0,0,2]=4 271 B10R1.20 COC1=C(C=O)C=CN=C1 AK-76614 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.20 COC1=C(OC)C=NC=C1 AK-40220 [1,0,1,0,0,0|2,0,0]=4 273 B10R1.20 COC1=CC=CC=C1OC AK-48587 [1,0,1,0,0,0|1,0,0]=3 274 B10R1.20 COC1=CC=CN=C1OC AK-43966 [1,0,1,0,0,0|2,0,0]=4 275 B10R1.20 O=CC1=C(OC)C=CN=C1 AK-29552 [1,0,1,0,0,0|2,0,0]=4 276 B10R1.20 O=CC1=C(OC)N=CC=C1 AK-36180 [1,0,1,0,0,0|2,0,0]=4 277 B10R1.20 O=CC1=CC=CC=C1CC AK-51264 [1,0,1,0,0,0|1,0,1]=4 278 B10R1.20 O=CC1=CC=CC=C1NC AK120939 [1,0,1,0,0,0|2,0,0]=4 279 B10R1.20 O=CC1=CC=CC=C1OC AK116922 [1,0,1,0,0,0|1,0,0]=3 280 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,0,1,0,0,0|2,0,0]=4 282 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,0,1,0,0,0|2,0,0]=4 283 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,0,1,0,0,0|1,0,0]=3 284 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,0,1,0,0,0|2,0,0]=4 285 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [1,0,1,0,0,0|2,0,0]=4 286 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [1,0,1,0,0,0|1,0,1]=4 287 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [1,0,1,0,0,0|1,0,1]=4 290 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [1,0,1,0,0,0|2,0,0]=4 291 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [1,0,1,0,0,0|1,0,0]=3 292 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [1,0,1,0,0,0|2,0,0]=4 293 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [1,0,1,0,0,0|2,0,0]=4 295 B10R2.7 C12=C(C=CS1)C=CN=C2 AK-77543 [2,0,0,0,0,0|1,1,0]=4 296 B10R2.7 C12=C(NN=C1)C=CC=C2 AK-49124 [2,0,0,0,0,0|2,0,0]=4 297 B10R2.7 C12=C(OC=N1)C=CN=C2 AK601670 [2,0,0,0,0,0|2,0,0]=4 298 B10R2.7 C12=CC=CC=C1N=CN2 AK109037 [2,0,0,0,0,0|2,0,0]=4 299 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [2,0,0,0,0,0|1,0,1]=4 300 B10R2.7 C12=NC=CC=C1C=CN2 AK-26735 [2,0,0,0,0,0|2,0,0]=4 301 B10R2.7 C12=NC=CC=C1N=CO2 AK-85804 [2,0,0,0,0,0|2,0,0]=4 302 B10R2.7 C12=NC=CC=C1OC=C2 AK119994 [2,0,0,0,0,0|1,0,0]=3 303 B10R2.7 C12=NC=CC=C1OC=N2 AK-85807 [2,0,0,0,0,0|2,0,0]=4 304 B10R2.7 C12=NC=CN1C=CC=C2 AK-27769 [2,0,0,0,0,0|2,0,0]=4 305 B10R2.7 C1=CC2=C(N=C1)C=C[NH]2 AK-29974 [2,0,0,0,0,0|2,0,0]=4 306 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [2,0,0,0,0,0|0,0,2]=4 307 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [2,0,0,0,0,0|1,0,0]=3 308 B10R2.7 C1=CSC2=C1C=CC=C2 AK-44148 [2,0,0,0,0,0|0,1,0]=3 309 B10R2.7 C1=CSC2=C1C=NC=C2 AK-39315 [2,0,0,0,0,0|1,1,0]=4 310 B10R2.7 C1=C[NH]C2=C1C=CN=C2 AK-21984 [2,0,0,0,0,0|2,0,0]=4 311 B10R2.7 C1=C[NH]C2=C1C=NC=C2 AK-29973 [2,0,0,0,0,0|2,0,0]=4 312 B10R2.7 S1C=CC2=C1C=CC=N2 AK-55220 [2,0,0,0,0,0|1,1,0]=4 313 B10R2.7 S1C=CC2=C1N=CC=C2 AK-30780 [2,0,0,0,0,0|1,1,0]=4 314 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [0,1,1,0,0,0|1,0,1]=4 315 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [0,1,1,0,0,0|2,0,0]=4 316 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,1,1,0,0,0|1,0,1]=4 317 B12R1.124 CC(C1=CC=CC=C1Cl)C(O)=O AK-45775 [0,1,1,0,0,0|1,0,1]=4 318 B12R1.124 OC(=O)C(=O)C1=CC=CC=C1Br AK102568 [0,1,1,0,0,0|2,0,0]=4 319 B12R1.225 CC(C(O)=O)C1=CC=CC(Cl)=C1 AK-59290 [0,1,1,0,0,0|1,0,1]=4 320 B12R1.225 O=C(O)C(C1=CC=CC(Br)=C1)=O AK143405 [0,1,1,0,0,0|2,0,0]=4 321 B12R1.253 CC(C1=CC=CC=C1)(C)C(O)=O AK-36476 [0,1,1,0,0,0|1,0,1]=4 322 B12R1.478 O=C(O)C(C1=CC=CC=C1)CO AK-90070 [0,1,1,0,0,0|1,0,1]=4 323 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,1,1,0,0,0|1,0,1]=4 324 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,1,0,0,0|1,0,1]=4 325 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,1,1,0,0,0|2,0,0]=4 326 B12R1.75 CC(OC1=CC=CC=C1CBr)=O AK149576 [0,1,1,0,0,0|1,0,1]=4 327 B12R1.121 COC1=C(OCCBr)C=CC=C1 AK-89644 [0,1,1,0,0,0|1,0,1]=4 328 B12R1.121 COC1=C(OCCN)C=CC=C1 AK-50535 [0,1,1,0,0,0|1,0,1]=4 329 B12R1.169 CCOC1=CC=CC=C1OCC AK-94234 [0,1,1,0,0,0|0,0,2]=4 330 B12R1.283 C1=CC=CC(=C1C(O)=O)OCC AK-47485 [0,1,1,0,0,0|1,0,1]=4 331 B12R1.283 CCOC1=C(C=CC=C1)C(N)=N AK-90164 [0,1,1,0,0,0|1,0,1]=4 332 B12R1.24 C1=C(C(=C(Cl)C=C1)O)C(=O)OC AK-40718 [0,1,1,0,0,0|2,0,0]=4 333 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1O AK136127 [0,1,1,0,0,0|2,0,0]=4 334 B12R1.24 O=C(OC)C1=CC=CC(F)=C1O AK116128 [0,1,1,0,0,0|2,0,0]=4 335 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,1,1,0,0,0|1,0,1]=4 336 B12R1.354 C1=C(O)C=CC(=C1C(OC)=O)O AK-46580 [0,1,1,0,0,0|2,0,0]=4 337 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 AK-59850 [0,1,1,0,0,0|2,0,0]=4 338 B12R1.354 COC(=O)C1=C(O)C=CC(N)=C1 AK-82780 [0,1,1,0,0,0|2,0,0]=4 339 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1O AK-80153 [0,1,1,0,0,0|2,0,0]=4 340 B12R1.354 O=C(OC)C1=CC(F)=CC=C1O AK-81427 [0,1,1,0,0,0|2,0,0]=4 341 B12R1.1703 C1=C(C(=CC(=C1)O)O)C(OC)=O AK-50554 [0,1,1,0,0,0|2,0,0]=4 342 B12R1.1703 C1=CC(=CC(=C1C(OC)=O)O)N AK-45502 [0,1,1,0,0,0|2,0,0]=4 343 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [0,1,1,0,0,0|2,0,0]=4 344 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [0,1,1,0,0,0|2,0,0]=4 345 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1O AK-88441 [0,1,1,0,0,0|2,0,0]=4 346 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1O AK-46989 [0,1,1,0,0,0|2,0,0]=4 347 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1O AK144550 [0,1,1,0,0,0|2,0,0]=4 348 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C AK-72747 [0,1,1,0,0,0|2,0,0]=4 349 B12R1.3441 O=C(OC)C1=C(O)C=CC=C1F AK-80495 [0,1,1,0,0,0|2,0,0]=4 350 B12R1.3441 O=C(OC)C1=C(O)C=CC=C1O AK-64730 [0,1,1,0,0,0|2,0,0]=4 351 B12R2.1 C1=C(C2=C(S1)C=CC=C2)C=O AK-27012 [1,1,0,0,0,0|0,1,1]=4 352 B12R2.1 C1=CC=CC2=C1[NH]C=C2C#N AK-73136 [1,1,0,0,0,0|1,0,1]=4 353 B12R2.1 N#CC1=CSC2=C1C=CC=C2 AK-80846 [1,1,0,0,0,0|0,1,1]=4 354 B12R2.1 NCC1=CNC2=C1C=CC=C2 AK-22163 [1,1,0,0,0,0|1,0,0]=3 355 B12R2.1 NCC1=N[NH]C2=CC=CC=C12 AK-26699 [1,1,0,0,0,0|2,0,0]=4 356 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AK-49824 [1,1,0,0,0,0|1,0,1]=4 357 B12R2.1 O=CC1=COC2=C1C=CC=C2 AK-35267 [1,1,0,0,0,0|0,0,1]=3 358 B12R2.1 OCC1=NNC2=C1C=CC=C2 AK-44730 [1,1,0,0,0,0|2,0,0]=4 359 B12R2.132 BrC1=CC2=C(C=C1)OCC2=O AK-28271 [1,1,0,0,0,0|1,0,1]=4 360 B12R2.132 BrC1=CC2=C(C=C1)ON=C2N AK-23817 [1,1,0,0,0,0|2,0,0]=4 361 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 AK150287 [1,1,0,0,0,0|2,0,0]=4 362 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 AK-87674 [1,1,0,0,0,0|1,0,0]=3 363 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 AK-24404 [1,1,0,0,0,0|2,0,0]=4 364 B12R2.132 CC1=NNC2=C1C=C(N)C=C2 AK-27146 [1,1,0,0,0,0|2,0,0]=4 365 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 AK104938 [1,1,0,0,0,0|1,0,0]=3 366 B12R2.132 CN1C=NC2=CC=C(Br)C=C12 AK-35536 [1,1,0,0,0,0|2,0,0]=4 367 B12R2.132 ClC1=CC=C2ON=C(Cl)C2=C1 AK-93170 [1,1,0,0,0,0|2,0,0]=4 368 B12R2.132 ClC1=CC=C2[NH]N=C(C2=C1)C AK-24405 [1,1,0,0,0,0|2,0,0]=4 369 B12R2.132 ClC1=NOC2=CC=C(Br)C=C12 AK-28217 [1,1,0,0,0,0|2,0,0]=4 370 B12R2.132 FC1=CC2=C(C=C1)ON=C2N AK-24371 [1,1,0,0,0,0|2,0,0]=4 371 B12R2.132 FC1=CC=C2ONC(=O)C2=C1 AK100151 [1,1,0,0,0,0|2,0,0]=4 372 B12R2.132 NC1=CC=C2C(N(C)C=N2)=C1 AK-76402 [1,1,0,0,0,0|2,0,0]=4 373 B12R2.132 NC1=CC=C2ONC(=O)C2=C1 AK-80717 [1,1,0,0,0,0|2,0,0]=4 374 B12R2.132 O=C1NOC2=CC=C(Br)C=C12 AK-59832 [1,1,0,0,0,0|2,0,0]=4 375 B12R2.132 OC1=CC2=C(NC=C2C)C=C1 AK-49261 [1,1,0,0,0,0|1,0,0]=3 376 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 AK-28212 [1,1,0,0,0,0|2,0,0]=4 377 B12R2.196 O=C1COC2=C(Br)C=CC=C12 AK-49048 [1,1,0,0,0,0|1,0,1]=4 378 B12R2.196 OC1=CC=CC2=C1C=CN2C AK-77291 [1,1,0,0,0,0|2,0,0]=4 379 B12R2.196 OC1=CC=CC2=C1NN=C2C AK-25227 [1,1,0,0,0,0|2,0,0]=4 380 B12R2.203 CC1=CNC2=NC=CC(Cl)=C21 AK-39605 [1,1,0,0,0,0|2,0,0]=4 381 B12R2.203 CC1=NNC2=CC=CC(Br)=C12 AK-80792 [1,1,0,0,0,0|2,0,0]=4 382 B12R2.203 ClC1=NC=CC2=C1C(Br)=CO2 AK-30863 [1,1,0,0,0,0|2,0,0]=4 383 B12R2.203 FC1=C2C(=O)COC2=CC=C1 AK100224 [1,1,0,0,0,0|1,0,1]=4 384 B12R2.203 FC1=C2C(=O)NOC2=CC=C1 AK100152 [1,1,0,0,0,0|2,0,0]=4 385 B12R2.203 NC1=NC=CC2=C1C(Br)=CO2 AK-80938 [1,1,0,0,0,0|2,0,0]=4 386 B12R2.203 NC1=NOC2=CC=CC(Br)=C12 AK-28218 [1,1,0,0,0,0|2,0,0]=4 387 B12R2.612 BrC1=CC=C2C(=O)NOC2=C1 AK-76119 [1,1,0,0,0,0|2,0,0]=4 388 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 AK-41636 [1,1,0,0,0,0|2,0,0]=4 389 B12R2.612 CC1=NOC2=C1C=CC(=C2)O AK-24401 [1,1,0,0,0,0|1,0,0]=3 390 B12R2.612 CC1=NOC2=CC(Br)=CC=C12 AK-80171 [1,1,0,0,0,0|1,0,0]=3 391 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 AK-82052 [1,1,0,0,0,0|2,0,0]=4 392 B12R2.612 ClC1=NOC2=C1C=CC(Cl)=C2 AK-59821 [1,1,0,0,0,0|2,0,0]=4 393 B12R2.612 ClC1=NOC2=CC(Br)=CC=C12 AK-28215 [1,1,0,0,0,0|2,0,0]=4 394 B12R2.612 FC1=CC2=C(C(=NO2)N)C=C1 AK-24372 [1,1,0,0,0,0|2,0,0]=4 395 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [1,1,0,0,0,0|2,0,0]=4 396 B12R2.612 FC1=CC=C2C(Cl)=NOC2=C1 AK-67876 [1,1,0,0,0,0|2,0,0]=4 397 B12R2.612 NC1=CC2=C(C=C1)C(C)=NN2 AK-40879 [1,1,0,0,0,0|2,0,0]=4 398 B12R2.612 NC1=CC2=C(N(C)C=C2)C=C1 AK-32682 [1,1,0,0,0,0|2,0,0]=4 399 B12R2.612 NC1=CC=C2C(N=CN2C)=C1 AK-29764 [1,1,0,0,0,0|2,0,0]=4 400 B12R2.612 NC1=NOC2=CC(Br)=CC=C12 AK-23852 [1,1,0,0,0,0|2,0,0]=4 401 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AK-33982 [1,1,0,0,0,0|1,0,1]=4 402 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AK-25773 [1,1,0,0,0,0|1,0,1]=4 403 B12R2.612 O=C1COC2=CC(O)=CC=C12 AK-27229 [1,1,0,0,0,0|1,0,1]=4 404 B12R2.612 O=C1NOC2=CC(C)=CC=C12 AK-67760 [1,1,0,0,0,0|2,0,0]=4 405 B12R2.612 OC1=CC=C2C(=C1)[NH]N=C2C AK-24402 [1,1,0,0,0,0|2,0,0]=4 406 B12R2.32 BrCC1=NC2=C(S1)C=CC=C2 AK-32768 [1,1,0,0,0,0|1,1,0]=4 407 B12R2.32 C1=C(C#N)SC2=C1C=CC=C2 AK-29384 [1,1,0,0,0,0|0,1,1]=4 408 B12R2.32 C1=C(OC2=C1C=CC=C2)C#N AK-23549 [1,1,0,0,0,0|0,0,1]=3 409 B12R2.32 C1=CC=CC2=C1[NH]C(=N2)CN AK-35733 [1,1,0,0,0,0|2,0,0]=4 410 B12R2.32 C1=CC=CC2=C1[NH]C(=N2)CO AK-27112 [1,1,0,0,0,0|2,0,0]=4 411 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [1,1,0,0,0,0|1,0,0]=3 412 B12R2.32 CCC1=NC2=CC=CC=C2N1 AK-31912 [1,1,0,0,0,0|2,0,0]=4 413 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [1,1,0,0,0,0|1,0,0]=3 414 B12R2.32 CCC1=NC2=NC=CC=C2O1 AK-85808 [1,1,0,0,0,0|2,0,0]=4 415 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 AK-95284 [1,1,0,0,0,0|2,0,0]=4 416 B12R2.32 CSC1=NC2=C(S1)C=CC=C2 AK111081 [1,1,0,0,0,0|1,1,0]=4 417 B12R2.32 CSC1=NC2=CC=CC=C2O1 AK108390 [1,1,0,0,0,0|1,0,0]=3 418 B12R2.32 CSC1=NC2=CC=CN=C2O1 AK-28870 [1,1,0,0,0,0|2,0,0]=4 419 B12R2.32 ClCC1=NC2=C(O1)C=CC=C2 AK-61808 [1,1,0,0,0,0|1,0,0]=3 420 B12R2.32 ClCC1=NC2=CC=CC=C2N1 AK-45696 [1,1,0,0,0,0|2,0,0]=4 421 B12R2.32 ClCC1=NC2=CC=CC=C2S1 AK-51559 [1,1,0,0,0,0|1,1,0]=4 422 B12R2.32 N#CC=1NC2=C(C1)C=CC=C2 AK123403 [1,1,0,0,0,0|1,0,1]=4 423 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 AK-59651 [1,1,0,0,0,0|2,0,0]=4 424 B12R2.32 NCC1=NC2=CC=CC=C2N1 AK-39566 [1,1,0,0,0,0|2,0,0]=4 425 B12R2.32 NCC1=NC2=CC=CC=C2S1 AK123577 [1,1,0,0,0,0|1,1,0]=4 426 B12R2.32 NCC=1NC2=C(C1)C=CC=C2 AK-27799 [1,1,0,0,0,0|1,0,0]=3 427 B12R2.32 O1C2=C(N=C1CO)C=CC=C2 AK-31640 [1,1,0,0,0,0|1,0,0]=3 428 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [1,1,0,0,0,0|0,0,1]=3 429 B12R2.32 OCC1=CC2=CC=CC=C2S1 AK-48826 [1,1,0,0,0,0|0,1,0]=3 430 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [1,1,0,0,0,0|0,0,2]=4 431 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [1,1,0,0,0,0|1,0,0]=3 432 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [1,1,0,0,0,0|0,1,1]=4 433 B12R2.202 BrC1=CC=CC2=C[N](N=C12)C AK-26845 [1,1,0,0,0,0|2,0,0]=4 434 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 AK-37464 [1,1,0,0,0,0|2,0,0]=4 435 B12R2.202 CC1=CC2=C(N1)N=CC=C2Cl AK109567 [1,1,0,0,0,0|2,0,0]=4 436 B12R2.202 CC1=C[N]2C(=N1)C(=CC=C2)N AK-23646 [1,1,0,0,0,0|2,0,0]=4 437 B12R2.202 CC1=NC2=C(Br)C=CC=C2S1 AK-77270 [1,1,0,0,0,0|1,1,0]=4 438 B12R2.202 CC1=NC2=C(O1)C(Br)=CN=C2 AK-80599 [1,1,0,0,0,0|2,0,0]=4 439 B12R2.202 CC=1CC2=C(C1)C=CC=C2Br AK-80547 [1,1,0,0,0,0|1,0,0]=3 440 B12R2.202 CC=1NC2=C(C1)C(=CC=C2)Br AK-67965 [1,1,0,0,0,0|1,0,0]=3 441 B12R2.202 CC=1SC2=C(C1)C(=NC=C2)Cl AK-27414 [1,1,0,0,0,0|1,1,0]=4 442 B12R2.202 CN1C=C2C(C=CC=C2Br)=N1 AK-26849 [1,1,0,0,0,0|2,0,0]=4 443 B12R2.202 CN1C=C2C=CC=C(N)C2=N1 AK-27864 [1,1,0,0,0,0|2,0,0]=4 444 B12R2.202 C[N]1C=C2C(=CC=CC2=N1)N AK-27891 [1,1,0,0,0,0|2,0,0]=4 445 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 AK134831 [1,1,0,0,0,0|2,0,0]=4 446 B12R2.202 NC1=NC2=C(O)C=CC=C2O1 AK-48635 [1,1,0,0,0,0|2,0,0]=4 447 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 AK134675 [1,1,0,0,0,0|2,0,0]=4 448 B12R2.202 O=C1C=2C=C(C)SC2C=CN1 AK-49958 [1,1,0,0,0,0|1,1,0]=4 449 B12R2.202 OC1=CC=CC2=C1C=C(C)N2 AK-23777 [1,1,0,0,0,0|1,0,0]=3 450 B12R2.202 OC1=CC=CN2C1=NC(C)=C2 AK-23645 [1,1,0,0,0,0|2,0,0]=4 451 B12R2.606 BrC1=CC2=C(NC(=O)O2)C=C1 AK-33961 [1,1,0,0,0,0|2,0,0]=4 452 B12R2.606 BrC1=CC2=C(OC(=O)N2)C=C1 AK-86848 [1,1,0,0,0,0|2,0,0]=4 453 B12R2.606 BrC1=CN=C2C(=C1)OC(=N2)C AK-30676 [1,1,0,0,0,0|2,0,0]=4 454 B12R2.606 C1=C([NH]C2=CC=C(C=C12)C)C AK-32967 [1,1,0,0,0,0|1,0,0]=3 455 B12R2.606 C1=C2C(=CC=C1N)N=C([NH]2)C AK-26727 [1,1,0,0,0,0|2,0,0]=4 456 B12R2.606 C1=CC(=CC2=C1SC(=N2)C)Br AK-32280 [1,1,0,0,0,0|1,1,0]=4 457 B12R2.606 CC1=CC2=C(N1)C=C(Cl)C=C2 AK-49978 [1,1,0,0,0,0|1,0,0]=3 458 B12R2.606 CC1=CC2=C(N1)C=C(F)C=C2 AK-82140 [1,1,0,0,0,0|1,0,0]=3 459 B12R2.606 CC1=CC2=C(N1)C=C(O)C=C2 AK105293 [1,1,0,0,0,0|1,0,0]=3 460 B12R2.606 CC1=CC2=C(OC(N)=N2)C=C1 AK-48427 [1,1,0,0,0,0|2,0,0]=4 461 B12R2.606 CC1=NC2=C(N1)C=CC(F)=C2 AK-88922 [1,1,0,0,0,0|2,0,0]=4 462 B12R2.606 CC1=NC2=C(N1)C=CC(O)=C2 AK-99427 [1,1,0,0,0,0|2,0,0]=4 463 B12R2.606 CC1=NC2=C(O1)C=C(Cl)C=C2 AK-85814 [1,1,0,0,0,0|1,0,0]=3 464 B12R2.606 CC1=NC2=C(O1)C=C(N)C=C2 AK-29411 [1,1,0,0,0,0|1,0,0]=3 465 B12R2.606 CC1=NC2=C(O1)C=CC(O)=C2 AK104913 [1,1,0,0,0,0|1,0,0]=3 466 B12R2.606 CC1=NC2=C(S1)C=C(Cl)C=C2 AK-82308 [1,1,0,0,0,0|1,1,0]=4 467 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 AK-32365 [1,1,0,0,0,0|2,0,0]=4 468 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 AK-30558 [1,1,0,0,0,0|1,0,0]=3 469 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 AK-77463 [1,1,0,0,0,0|2,0,0]=4 470 B12R2.606 CC1=NC2=CC(Cl)=CC=C2O1 AK-54057 [1,1,0,0,0,0|1,0,0]=3 471 B12R2.606 CC1=NC2=CC(F)=CC=C2O1 AK202356 [1,1,0,0,0,0|1,0,0]=3 472 B12R2.606 CC1=NC2=CC(I)=CC=C2N1 AK155408 [1,1,0,0,0,0|2,0,0]=4 473 B12R2.606 CC1=NC2=CC=C(Br)C=C2S1 AK-24992 [1,1,0,0,0,0|1,1,0]=4 474 B12R2.606 CC1=NC2=CC=C(F)C=C2S1 AK128469 [1,1,0,0,0,0|1,1,0]=4 475 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Br AK-25283 [1,1,0,0,0,0|1,0,0]=3 476 B12R2.606 CC=1NC2=C(C1)C=C(C=C2)Cl AK-32804 [1,1,0,0,0,0|1,0,0]=3 477 B12R2.606 CC=1NC2=C(C1)C=C(C=N2)Br AK-37639 [1,1,0,0,0,0|2,0,0]=4 478 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br AK-67966 [1,1,0,0,0,0|1,0,0]=3 479 B12R2.606 CN1C=C2C=C(I)C=CC2=N1 AK-27908 [1,1,0,0,0,0|2,0,0]=4 480 B12R2.606 CN1N=C2C=C(Br)C=CC2=C1 AK-27927 [1,1,0,0,0,0|2,0,0]=4 481 B12R2.606 CN1N=C2C=C(Cl)C=CC2=C1 AK-27928 [1,1,0,0,0,0|2,0,0]=4 482 B12R2.606 CN1N=C2C=CC(Br)=CC2=C1 AK-26848 [1,1,0,0,0,0|2,0,0]=4 483 B12R2.606 CN1N=C2C=CC(Cl)=CC2=C1 AK-27906 [1,1,0,0,0,0|2,0,0]=4 484 B12R2.606 ClC1=NC2=C(O1)C=CC(=C2)Cl AK-26747 [1,1,0,0,0,0|2,0,0]=4 485 B12R2.606 ClC1=NC2=CC(Br)=CC=C2O1 AK117626 [1,1,0,0,0,0|2,0,0]=4 486 B12R2.606 FC1=CC2=C(OC(S)=N2)C=C1 AK111312 [1,1,0,0,0,0|2,0,0]=4 487 B12R2.606 FC1=CC=C2[NH]C(=CC2=C1)C AK-26800 [1,1,0,0,0,0|1,0,0]=3 488 B12R2.606 NC1=CC2=NN(C)C=C2C=C1 AK-27926 [1,1,0,0,0,0|2,0,0]=4 489 B12R2.606 NC1=CC=C2NC(C)=NC2=C1 AK-28192 [1,1,0,0,0,0|2,0,0]=4 490 B12R2.606 NC1=NC2=C(O1)C=C(Br)C=C2 AK-35461 [1,1,0,0,0,0|2,0,0]=4 491 B12R2.606 NC1=NC2=CC(Br)=CC=C2O1 AK-40298 [1,1,0,0,0,0|2,0,0]=4 492 B12R2.606 O=C1OC2=CC=C(F)C=C2N1 AK157798 [1,1,0,0,0,0|2,0,0]=4 493 B12R2.606 OC1=CC=C2N=C(C)SC2=C1 AK-36112 [1,1,0,0,0,0|1,1,0]=4 494 B12R2.606 S=C1OC2=CC=C(Br)C=C2N1 AK142820 [1,1,0,0,0,0|2,0,0]=4 495 B12R2.606 S=C1OC2=CC=C(Cl)C=C2N1 AK111072 [1,1,0,0,0,0|2,0,0]=4 496 B14R2.92 COC1=C(Br)C2=C(C=CC=C2)C=C1 AK-61767 [0,1,0,0,0,1|2,0,0]=4 497 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O AK-60932 [0,1,0,0,0,1|1,0,1]=4 498 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br AK-67717 [0,1,0,0,0,1|2,0,0]=4 499 B14R2.8188 O=C1NC2=C(C=CC=C2)C(O)=C1C AK152649 [0,1,0,0,0,1|2,0,0]=4 500 B14R2.1019 CC1=C2C=CC=CC2=NC(CCl)=N1 AK-41056 [0,1,0,0,0,1|1,0,0]=3 501 B14R2.1146 CC1=NC2=CC=CC=C2C(CCl)=C1 AK-38054 [0,1,0,0,0,1|1,0,0]=3 502 B14R2.1146 NC1=CC2=C(C(OC)=N1)C=CC=C2 AK142403 [0,1,0,0,0,1|2,0,0]=4 503 B14R2.8045 CC1=C2C=CC=C(Cl)C2=NC(=O)C1 AK-48332 [0,1,0,0,0,1|2,0,0]=4 504 B14R2.8045 CC1=C2N=C(Cl)C=C(C)C2=CC=C1 AK-48215 [0,1,0,0,0,1|2,0,0]=4 505 B14R2.8045 CC1=CC(Cl)=NC2=C(Cl)C=CC=C12 AK173295 [0,1,0,0,0,1|2,0,0]=4 506 B14R2.8235 BrC1=CC=C2N=C(N=C(C2=C1)Cl)C AK-24259 [0,1,0,0,0,1|2,0,0]=4 507 B14R2.8235 C1=C(C=C2C(=C1)NC(=NC2=O)C)Cl AK-24256 [0,1,0,0,0,1|2,0,0]=4 508 B14R2.8235 C1=CC(=CC2=C1NC(=NC2=O)C)Br AK-24257 [0,1,0,0,0,1|2,0,0]=4 509 B14R2.8235 CC1=NC(Cl)=C2C=C(Cl)C=CC2=N1 AK-24260 [0,1,0,0,0,1|2,0,0]=4 510 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(C)=C1 AK-77077 [0,1,0,0,0,1|2,0,0]=4 511 B14R2.29365 CC1=NC(Cl)=C2C=CC(Br)=CC2=N1 AK153092 [0,1,0,0,0,1|2,0,0]=4 512 B14R2.29365 O=C1C=C(C)C2=C(O1)C=C(S)C=C2 AK-58704 [0,1,0,0,0,1|1,0,0]=3 513 B14R2.29365 O=C1C=C(C)OC2=C1C=CC(O)=C2 AK268087 [0,1,0,0,0,1|1,0,0]=3 514 B14R2.29365 O=C1NC(C)=NC2=C1C=CC(Br)=C2 AK158847 [0,1,0,0,0,1|2,0,0]=4 515 B14R2.29365 O=C1NC2=C(C=CC(N)=C2)C(C)=C1 AK-86238 [0,1,0,0,0,1|2,0,0]=4 516 B14R2.29365 O=C1OC2=C(C=CC(N)=C2)C(C)=C1 AK-34405 [0,1,0,0,0,1|1,0,0]=3 517 B14R2.29496 CC1=CC(C)(C)NC2=C1C=CC=C2 AK-82311 [0,1,0,0,0,1|1,0,1]=4 518 B14R2.29496 CC1=CC(C)(C)NC2=C1C=CC=C2 AK477179 [0,1,0,0,0,1|1,0,1]=4 519 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl AK-53465 [0,1,0,0,0,1|2,0,0]=4 520 B14R2.1128 N#CC1=NC2=CC=CC=C2C=C1C AK112476 [0,1,0,0,0,1|1,0,1]=4 521 B14R2.8239 CC1=CC=C2N=C(C)C(C)=NC2=C1 AK-60832 [0,1,0,0,0,1|1,0,0]=3 522 B14R2.44 CNCC1=C(Cl)C2=CC=CC=C2S1 AK-57914 [0,2,0,0,0,0|1,1,0]=4 523 B14R2.44 N#CCC1=NC2=CC=CC=C2N1C AK115247 [0,2,0,0,0,0|2,0,0]=4 524 B14R2.450 CC1=C(B(O)O)OC2=CC=CC=C12 AK158882 [0,2,0,0,0,0|1,0,0]=3 525 B14R2.450 O=C(C1=C(Cl)C2=CC=CC=C2O1)O AK151086 [0,2,0,0,0,0|1,0,1]=4 526 B14R2.1060 OCC1=NC2=CC=C(Cl)C=C2N1C AK144815 [0,2,0,0,0,0|2,0,0]=4 527 B14R2.1095 OCC1=NC2=CC(Cl)=CC=C2N1C AK144816 [0,2,0,0,0,0|2,0,0]=4 528 B14R2.1199 OCC1=NC2=CC=CC(Cl)=C2N1C AK144817 [0,2,0,0,0,0|2,0,0]=4 529 B14R2.517 CC=1NC2=C(C1CCN)C=CC=C2 AK112032 [0,2,0,0,0,0|1,0,0]=3 530 B14R2.517 NCCC1=C(C)NC2=CC=CC=C12 AK-24950 [0,2,0,0,0,0|1,0,0]=3 531 B14R2.642 CC(C1=C(C)N=C2C=CC=CN21)=O AK-26880 [0,2,0,0,0,0|2,0,0]=4 532 B14R2.4507 CC1=NC2=CC=C(Cl)C=C2C1(C)C AK-87601 [0,2,0,0,0,0|1,0,1]=4 533 B14R2.57380 CC1(C)C(C)=[N+](C)C2=C1C=CC=C2 AK130306 [0,2,0,0,0,0|1,0,1]=4 534 B14R2.1815 OCC1=CC=C2N(C)C(C)=NC2=C1 AK126883 [0,2,0,0,0,0|2,0,0]=4 535 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AK-72496 [0,0,1,1,0,0|2,0,0]=4 536 B12R2.315 COC1=C2OC=CC2=CC=C1 AK-86257 [0,0,1,1,0,0|1,0,1]=4 537 B12R2.315 O=CC1=C2OCCC2=CC=C1 AK-49532 [0,0,1,1,0,0|1,0,1]=4 538 B12R2.1081 CC1=C2C=CC=CC2=NC=N1 AK-31000 [0,0,1,1,0,0|2,0,0]=4 539 B12R2.1081 O=C1C=COC2=CC=CC=C12 AK-26021 [0,0,1,1,0,0|1,0,1]=4 540 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,0,1,1,0,0|1,0,1]=4 541 B14R3.49 C12=NC3=CC=CC=C3N1CCN2 AK-77745 [0,1,0,1,0,0|2,0,0]=4 542 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,0,1,0|1,0,1]=4 543 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,0,1,0,0,1|1,0,1]=4 544 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,0,1,0,0,1|0,0,2]=4 545 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,0,1,0,0,1|0,0,2]=4 546 B12R1.107 CN(CC(O)=O)C1=CC=CC=C1 AK-97087 [0,0,1,0,0,1|2,0,0]=4 547 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,1,0,0,1|2,0,0]=4 548 B12R2.1041 NC1=CC2=CC=CC=CC2=C1 AK-79905 [1,0,0,0,0,1|2,0,0]=4