0 B13R2.1613 C#CC1=NC=CC2=C1C=CC=C2 AK-37170 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.1613 C1=CC=CC2=C1C(=CN=C2)C#N AK-24101 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 AK-47731 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.1613 CNC1=CC=CC2=C1C=CC=C2 AK-86049 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 AK105904 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 COC1=CN=CC2=CC=CC=C12 AK-39644 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.1613 N#CC1=C2C=CC=CC2=NN=C1 AK198964 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.1613 NCC1=CC=CC2=C1C=CC=N2 AK-31968 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.1613 NCC1=CC=NC2=CC=CC=C12 AK-26133 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.1613 NNC1=C2C=CC=CC2=CC=C1 AK116584 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 AK105972 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.1613 O=CC1=CN=CC2=C1C=CC=C2 AK-24096 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.1613 O=CC1=NC=CC2=CC=CC=C12 AK-35206 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 AK-84417 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 AK-45309 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 BrC1=C2C=CC=CC2=NC=N1 AK-29212 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 BrC1=NC=CC2=CC=CC=C12 AK-25454 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.1081 BrC1=NC=CC2=CC=CN=C12 AK100849 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 C1=C2C(=CC=C1)N=CC=C2N AK-26148 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.1081 C1=CC2=C(C(=CN=C2)Br)C=C1 AK-25455 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 AK-29295 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.1081 CC1=C2C=CC=CC2=NC=N1 AK-31000 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 AK-27231 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 AK-28809 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 AK-30305 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 AK-53721 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 AK340738 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 AK-26427 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 IC1=CN=CC2=CC=CC=C12 AK-24960 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.1081 NC1=C2C=CC=CC2=NN=C1 AK-80159 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 AK-26178 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 AK-21797 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 AK-35724 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 AK-25297 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 NC1=CN=CC2=C1C=CC=C2 AK-24246 [1,0,0,0,0,0|1,0,0]=2 35 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 AK-41400 [1,0,0,0,0,0|1,0,0]=2 36 B12R2.1081 NC1=NC=CC2=NC=CC=C12 AK100850 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.1081 NC1=NC=NC2=CC=CC=C12 AK-26724 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 AK-46528 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 AK-28151 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 AK-24961 [1,0,0,0,0,0|2,0,0]=3 41 B14R2.203 ClC1=C(C2=CC=CC=C2C=N1)C=O AK-31032 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.1131 BrC1=CN=C(C2=CC=CC=C12)OC AK-24358 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.1131 ClC1=NC=C(C2=CC=CC=C12)C#N AK-31224 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.1146 NC1=CC2=C(C(OC)=N1)C=CC=C2 AK142403 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.7150 C1=CC=CC2=C1C(=CC=C2)CNC AK-73008 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.7150 CNCC1=CC=CC2=C1C=CC=C2 AK111097 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.31359 C1=CC=CC2=CC=NC(=C12)C(O)=O AK-26020 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 AK-68520 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.31359 CC(N)C1=C2C=CC=CC2=CC=C1 AK-48247 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.31359 N[C@@H](C1=C2C=CC=CC2=CC=C1)C AK-49126 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.31359 N[C@H](C1=C2C=CC=CC2=CC=C1)C AK-32722 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.31359 O=C(C1=CN=CC2=C1C=CC=C2)O AK-36198 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.31359 OB(C1=CN=CC2=C1C=CC=C2)O AK-33903 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.1 C1=CC=CC2=C1[NH]N=C2C#N AK-44369 [0,0,0,0,1,0|1,0,2]=4 55 B12R2.1 NCC1=CNC2=C1C=CC=C2 AK-22163 [0,0,0,0,1,0|2,0,1]=4 56 B12R2.1 NCC1=N[NH]C2=CC=CC=C12 AK-26699 [0,0,0,0,1,0|1,0,1]=3 57 B12R2.1 O=CC1=C2C=CC=CN2C=N1 AK-49925 [0,0,0,0,1,0|3,0,0]=4 58 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AK-45326 [0,0,0,0,1,0|2,0,1]=4 59 B12R2.1 OCC1=NNC2=C1C=CC=C2 AK-44730 [0,0,0,0,1,0|2,0,1]=4 60 B11R1.53 N=C(N)C1=CC=CC=C1OC AK156708 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [1,0,1,0,0,0|2,0,0]=4 62 B11R2.20 C12=CC=NC=C1N=CC=C2 AK-65141 [2,0,0,0,0,0|2,0,0]=4 63 B11R2.20 C12=CN=CC=C1N=CC=C2 AK-47050 [2,0,0,0,0,0|2,0,0]=4 64 B11R2.20 C1=C2C(=NC=N1)C=CC=C2 AK-46565 [2,0,0,0,0,0|2,0,0]=4 65 B11R2.20 C1=CC=C2N=NC=CC2=C1 AK-64450 [2,0,0,0,0,0|2,0,0]=4 66 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [2,0,0,0,0,0|1,0,1]=4 67 B13R2.32 BrC1=C(Br)N=CC2=C1C=CC=C2 AK-49733 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.32 CC1=C(N)C2=C(C=CC=C2)C=C1 AK-81542 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.32 ClC1=C(C2=CC=CC=C2C=N1)N AK-24958 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.32 NC1=C(N=CC2=CC=CC=C12)Br AK-24957 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.162 BrC1=CC=C2C(=C1)C(=NC=C2)N AK-27156 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.162 C1=CC2=C(C=C1Cl)C(=NC=N2)N AK-24332 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.162 CC1=CC2=C(C=CN=C2Cl)C=C1 AK-49595 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 ClC1=CC2=C(C=C1)C=CN=C2Cl AK-27155 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.162 ClC1=NC=CC2=C1C=C(Br)C=C2 AK-26804 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.162 FC1=CC2=C(C=C1)C=NN=C2Cl AK157533 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.162 NC1=C2C=C(Br)C=CC2=NC=N1 AK-24331 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.162 NC1=C2C=C(C)C=CC2=CC=C1 AK150342 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.162 NC1=NC=NC2=CC=C(F)C=C12 AK-56988 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.162 O=C1NN=CC2=C1C=C(Br)C=C2 AK-50801 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.162 O=C1NN=CC2=C1C=C(F)C=C2 AK174748 [1,1,0,0,0,0|1,0,1]=4 82 B13R2.162 OC1=CC2=C(C=CN=C2Cl)C=C1 AK105080 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.162 OC1=CN=CC2=C1C=C(Br)C=C2 AK123454 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.162 OC1=NC=CC2=C1C=C(Cl)C=C2 AK-27154 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.328 BrC1=NC(=CC2=CC=CC=C12)Br AK-24473 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.328 ClC1=CC2=C(C(Cl)=N1)C=CC=C2 AK-28004 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.328 NC1=NC(Cl)=CC2=C1C=CC=C2 AK147558 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.328 NC1=NC(Cl)=NC2=CC=CC=C12 AK-30469 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.328 NC1=NC2=CC=CC=C2C(N)=N1 AK-78965 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.328 OC1=NC(N)=C2C=CC=CC2=N1 AK-24683 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.342 BrC1=C2C(=CC=C1)C(=NC=C2)Cl AK-49018 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.342 CC1=CC=CC2=C1C=CN=C2Cl AK-68078 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.342 ClC1=NC=CC2=C(Cl)C=CC=C12 AK101842 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.342 NC1=C2C=CC=C(Br)C2=CC=C1 AK-79091 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.342 NC1=C2C=CC=C(Br)C2=NC=N1 AK-24795 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.342 NC1=NC=CC2=C1C=CC=C2Br AK-55128 [1,1,0,0,0,0|1,0,0]=3 97 B13R2.371 BrC1=CN=C(Br)C2=C1C=CC=C2 AK-24359 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.371 C1=C(Cl)C2=C(C(=N1)Cl)C=CC=C2 AK-33427 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.371 C1=CC=CC2=C(C=CC(=C12)N)Br AK-24989 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.371 CC1=CC=C(N)C2=C1C=CC=C2 AK-74006 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.371 CC1=CN=C(Br)C2=C1C=CC=C2 AK138771 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.371 CC1=CN=C(Cl)C2=C1C=CC=C2 AK138773 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.371 CC1=NC=C(Br)C2=C1C=CC=C2 AK162343 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.371 ClC1=CN=C(Br)C2=C1C=CC=C2 AK138251 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.371 ClC1=NC=C(Br)C2=C1C=CC=C2 AK-23742 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.371 ClC1=NN=C(Cl)C2=C1C=CC=N2 AK-30917 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.371 ClC1=NN=C(Cl)C2=CC=NC=C12 AK-27361 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.371 NC1=C2C=CC=CC2=C(F)C=C1 AK140094 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.371 NC1=C2C=CC=NC2=C(Br)C=N1 AK431779 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.371 NC1=CN=C(Cl)C2=C1C=CC=C2 AK-31222 [1,1,0,0,0,0|1,0,0]=3 111 B13R2.371 NC1=NC=C(Br)C2=C1C=CC=C2 AK-24396 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.371 NC1=NC=C(Br)C2=C1C=NC=C2 AK-38028 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.371 NC1=NC=C(I)C2=C1C=CC=C2 AK158979 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.371 O=C1NN=C(Br)C2=C1C=CC=C2 AK312906 [1,1,0,0,0,0|1,0,1]=4 115 B13R2.371 OC1=CN=C(Cl)C2=C1C=CC=C2 AK-89447 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.4818 C1=CC2=C(C(=C1)Br)C(=NC=C2)O AK-31791 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.4818 CC1=CN=CC2=C1C(Br)=CC=C2 AK-77540 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.4818 ClC1=CC=CC2=C1C(Cl)=NC=C2 AK101852 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.4818 ClC1=NC=CC2=C1C(Br)=CC=C2 AK-31790 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.4818 NC1=C2C(Br)=CC=CC2=NC=N1 AK-50433 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.4818 NC1=C2C(C)=CC=CC2=CC=C1 AK150349 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.4818 NC1=C2C(N)=CC=CC2=CC=C1 AK106231 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)Cl AK-23848 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N AK-23856 [1,1,0,0,0,0|1,0,0]=3 125 B13R2.5179 ClC1=CC2=C(C(Cl)=NC=C2)C=C1 AK-26744 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.5179 FC1=CC2=C(C(Cl)=NC=C2)C=C1 AK311367 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.5179 FC1=CC2=C(C(Cl)=NN=C2)C=C1 AK157523 [1,1,0,0,0,0|1,0,0]=3 128 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=N1 AK-30957 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.5179 NC1=C2C=CC(C)=CC2=CC=C1 AK150347 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.5179 OC1=CC2=C(C(Cl)=NC=C2)C=C1 AK315073 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.1 NCCN1N=NC2=CC=CC=C21 AK153702 [0,1,0,0,1,0|2,0,0]=4 132 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)N AK-46919 [0,1,0,0,1,0|1,0,1]=4 133 B13R2.3085 O=C1N(N)C(C2=C1C=CC=C2)=O AK-86251 [0,0,1,1,0,0|2,0,0]=4 134 B13R2.18 BrC1=CC=CC=C1C2=NN=NN2 AK-36236 [0,0,1,1,0,0|1,0,1]=4 135 B11R2.1 BrC1=NN=C2C=CC=C[N]12 AK-39592 [1,0,0,0,1,0|2,0,0]=4 136 B11R2.1 BrC1=NNC2=C1C=CC=C2 AK-23691 [1,0,0,0,1,0|1,0,1]=4 137 B11R2.1 C1=CC=CC2=C([NH]N=C12)Cl AK-25715 [1,0,0,0,1,0|1,0,1]=4 138 B11R2.1 C1=CC=CC2=C1C(=NS2)N AK-26866 [1,0,0,0,1,0|1,0,0]=3 139 B11R2.1 C1=CC=CC2=C1C(=N[NH]2)N AK-26928 [1,0,0,0,1,0|0,0,1]=3 140 B11R2.1 CC1=NN=C2C=CC=CN12 AK-87279 [1,0,0,0,1,0|2,0,0]=4 141 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [1,0,0,0,1,0|1,0,1]=4 142 B11R2.1 ClC1=NOC2=C1C=CC=C2 AK-24058 [1,0,0,0,1,0|2,0,0]=4 143 B11R2.1 ClC1=NSC2=CC=CC=C12 AK-37779 [1,0,0,0,1,0|2,0,0]=4 144 B11R2.1 IC1=NNC2=C1C=CC=C2 AK-24807 [1,0,0,0,1,0|1,0,1]=4 145 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [1,0,0,0,1,0|0,0,1]=3 146 B11R2.1 NC1=NNC2=C1C=CC=N2 AK-28220 [1,0,0,0,1,0|1,0,1]=4 147 B11R2.1 NC1=NNC2=C1C=CN=C2 AK103993 [1,0,0,0,1,0|1,0,1]=4 148 B11R2.1 NC1=NOC2=C1C=CN=C2 AK-30699 [1,0,0,0,1,0|2,0,0]=4 149 B11R2.1 NC1=NOC2=CC=CN=C21 AK-30698 [1,0,0,0,1,0|2,0,0]=4 150 B11R2.1 NC1=NSC2=NC=CC=C21 AK-30764 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.1 NN1N=CC2=CC=CC=C12 AK-87918 [1,0,0,0,1,0|1,0,0]=3 153 B11R2.1 NN1N=NC2=CC=CC=C21 AK113523 [1,0,0,0,1,0|1,0,0]=3 154 B11R2.1 O1C2=C(C(=N1)N)C=CC=C2 AK-23544 [1,0,0,0,1,0|1,0,0]=3 155 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [1,0,0,0,1,0|1,0,1]=4 156 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.106 NC1=NC=CC2=C1C=CN2 AK-30043 [1,0,0,0,1,0|2,0,0]=4