0 B12R2.1081 BrC1=NC=CC2=NC=CN=C12 D79741 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C73284 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.1081 NC1=CN=NC2=CC=CC=C12 97748 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.1081 NC1=NC=CC2=NC=CN=C12 C90319 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 64673 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.1081 O=C1NC=CC2=C1C=CN=C2 67001 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.32 CC1=CC=C2C=NC=CC2=C1N AT16420 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.32 ClC1=C(Br)C2=NC=CC=C2C=C1 83140 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.32 FC1=C(I)C2=CC=CC=C2N=C1 79247 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 F13243 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.32 NC1=C(Br)C=CC2=CN=CC=C21 C76720 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.32 NC1=C(F)C2=CC=CN=C2C=C1 95705 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.32 NC1=C(F)C=CC2=CN=CC=C21 D80089 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.32 NC1=C(F)C=CC2=NC=CC=C21 D87188 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.32 NC1=C(O)C2=CC=CN=C2C=C1 K10144 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.32 OC1=C(Br)C2=CN=CC=C2C=C1 97593 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.32 OC1=C(Cl)C2=CC=CN=C2C=C1 22957 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.162 CC1=CC2=C(N)C=CC=C2N=C1 E70238 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.162 CC1=NC2=C(N)C=CC=C2N=C1 79509 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.162 ClC1=C2C=C(Br)N=CC2=CC=C1 D72092 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.162 ClC1=NC=C2C=CC=C(Br)C2=C1 96521 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.162 ClC1=NC=C2C=NC=C(I)C2=N1 P18860 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.162 FC1=CC=C2N=CC=C(Br)C2=N1 C72692 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.162 NC1=C2C=C(Br)N=CC2=CC=C1 C72071 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.162 NC1=C2C=C(O)C=NC2=CC=C1 33255 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.162 NC1=C2N=C(Cl)C=CC2=CC=C1 90852 [0,1,0,0,0,0|1,0,0]=2 26 B13R2.162 NC1=C2N=C(Cl)C=CC2=NC=N1 F30759 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.162 NC1=CN=C2C=CC=C(Cl)C2=C1 80360 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.162 NC1=NC=C2C=CC=C(F)C2=C1 68515 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.162 OC1=C2C=C(Br)C=NC2=NC=C1 57893 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.162 OC1=C2C=C(Cl)N=CC2=CC=C1 79086 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.162 OC1=C2C=C(Cl)N=CC2=NC=C1 92762 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=N1 H11165 [0,1,0,0,0,0|1,0,0]=2 33 B13R2.328 ClC1=CC(Br)=CC2=CC=CC=C12 A10654 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.328 FC1=CC2=NC=CC=C2C(Br)=C1 K10116 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 W17912 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.328 NC1=CC(Cl)=CC2=NC=CC=C12 K10119 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.328 NC1=CC(F)=CC2=NC=CC=C12 K10117 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.328 OC1=CC(F)=CC2=NC=CC=C12 79390 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.342 ClC1=NC=CC2=C(Cl)N=CN=C12 F30982 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.342 NC1=C2C=CC=C(F)C2=CN=C1 33322 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.342 NC1=C2N=CC=C(F)C2=CC=C1 80444 [0,1,0,0,0,0|1,0,0]=2 44 B13R2.342 OC1=C2C=CC=C(Br)C2=CN=C1 K10061 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.371 CC1=CC=C(Br)C2=NC=CN=C12 AC3950 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.371 ClC1=CC=C(Br)C2=NC=CN=C12 P17980 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.371 ClC1=NC=C(I)C2=NC=CC=C12 C71288 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.371 FC1=CN=C(Cl)C2=CC=CC=C12 73659 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.371 FC1=CN=C(Cl)C2=NC=CN=C12 79068 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.371 O=C1NC=C(Br)C2=NC=CC=C12 54640 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.371 OC1=CC=C(Br)C2=CC=NC=C12 K10260 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.371 OC1=NC=C(Br)C2=NC=CN=C12 54650 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.1613 BrCC1=CC=NC2=CC=CC=C12 N12690 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.1613 C#CC1=C2C=NC=CC2=CC=C1 C11456 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.1613 NCC1=C2N=CC=NC2=CC=C1 D82746 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.1613 O\N=C1\C=CC=C2C=NC=C[C@@H]21 22990 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.4818 CC1=C2C(Br)=CC=CC2=CC=N1 D79824 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.4818 CC1=CC=CC2=C1C(=O)C=CN2 D96337 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.4818 FC1=C2C(=CC=C1)C=CN=C2Br 73655 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.4818 FC1=C2C(Br)=CC=CC2=CN=C1 K10006 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.4818 NC1=C2C(F)=CC=CC2=CC=C1 W19087 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.4818 NC1=C2C(F)=CC=CC2=CC=N1 K10198 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.4818 NC1=C2C(F)=CN=CC2=CC=C1 87036 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.5179 BrC1=CC=C2C(I)=CC=CC2=C1 AT10842 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [0,1,0,0,0,0|1,0,0]=2 66 B13R2.5179 ClC1=C2C=CC(Br)=NC2=CC=C1 D71280 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.5179 ClC1=C2C=NC(Br)=CC2=CC=C1 D79764 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.5179 ClC1=C2N=CC(Br)=CC2=CN=N1 84138 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.5179 ClC1=CC=C2C(Br)=CN=CC2=C1 K10019 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.5179 ClC1=CN=C2C(=C1)N=CN=C2Cl P12294 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.5179 FC1=CC=C2C(Br)=CN=CC2=C1 K10011 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.5179 NC1=C2C=CC(Cl)=CC2=CN=C1 K10020 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=N1 K10133 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.5179 NC1=CC=C2C(Cl)=CN=CC2=C1 73657 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=C1 68522 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.5179 O=C1NN=CC2=CC(Br)=CN=C12 84141 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 D87193 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [0,1,0,0,0,0|3,0,0]=4 83 B11R2.1 ClC1=NNC2=CC=CN=C21 24272 [0,0,0,0,1,0|3,0,0]=4 84 B11R2.106 BrC1=CC=CC2=CC=NN12 F53404 [0,0,0,0,1,0|2,0,0]=3 85 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [0,0,0,0,1,0|1,0,1]=3 86 B11R2.106 FC1=C2C=CNC2=CN=C1 P12994 [0,0,0,0,1,0|3,0,0]=4 87 B11R2.106 FC1=C2C=COC2=CC=C1 78779 [0,0,0,0,1,0|2,0,0]=3 88 B11R2.106 FC1=NC=CC2=C1C=CN2 I11120 [0,0,0,0,1,0|3,0,0]=4 89 B11R2.106 IC1=C2C=CNC2=CC=C1 78827 [0,0,0,0,1,0|2,0,0]=3 90 B11R2.106 IC1=C2C=COC2=NC=C1 P16093 [0,0,0,0,1,0|3,0,0]=4 91 B11R2.106 NC1=C2CC=CC2=CC=C1 C14577 [0,0,0,0,1,0|1,0,1]=3 92 B11R2.106 NC1=C2NC=CC2=CN=C1 I11180 [0,0,0,0,1,0|2,0,1]=4 93 B11R2.106 NC1=C2OC=CC2=CC=N1 F30710 [0,0,0,0,1,0|3,0,0]=4 94 B11R2.106 NC1=C2OC=NC2=CC=C1 O11690 [0,0,0,0,1,0|3,0,0]=4 95 B11R2.106 NC1=C2ON=CC2=CC=C1 O11689 [0,0,0,0,1,0|3,0,0]=4 96 B11R2.106 NC1=CC=CC2=CN=CN12 P12546 [0,0,0,0,1,0|3,0,0]=4 97 B11R2.106 NC1=CC=NN2C=CC=C12 P12640 [0,0,0,0,1,0|3,0,0]=4 98 B11R2.106 NC1=CC=NN2C=CN=C12 P12543 [0,0,0,0,1,0|3,0,0]=4 99 B11R2.106 NC1=NC=CC2=C1NC=C2 I11178 [0,0,0,0,1,0|2,0,1]=4 100 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [0,0,0,0,1,0|1,0,2]=4 101 B11R2.106 OC1=C2NC=CC2=NC=C1 D78884 [0,0,0,0,1,0|1,0,1]=3 102 B11R2.106 OC1=CC=CC2=C1C=CO2 53817 [0,0,0,0,1,0|1,0,0]=2 103 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.245 C=CC1=C(Cl)C=CN=C1O P18283 [1,0,1,0,0,0|2,0,0]=4 105 B12R2.24 BrC1=CC2=NN=CC=C2C=C1 C72506 [1,1,0,0,0,0|1,0,0]=3 106 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 F30772 [1,1,0,0,0,0|1,0,0]=3 107 B12R2.24 ClC1=CC2=CC=CN=C2C=N1 87641 [1,1,0,0,0,0|1,0,0]=3 108 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.24 IC1=CC2=CC=NC=C2C=C1 78444 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.24 IC1=CC2=NC=CC=C2N=C1 Y10070 [1,1,0,0,0,0|1,0,0]=3 111 B12R2.24 NC1=CC2=CC=CN=C2C=N1 32379 [1,1,0,0,0,0|1,0,0]=3 112 B12R2.24 NC1=CC2=CC=NC=C2N=C1 C11437 [1,1,0,0,0,0|1,0,0]=3 113 B12R2.24 NC1=NC2=CC=NC=C2C=C1 80663 [1,1,0,0,0,0|1,0,0]=3 114 B12R2.132 CC1=CC=C2NC=C(I)C2=N1 C71009 [0,1,0,0,1,0|2,0,0]=4 115 B12R2.132 FC1=CC=C2NC=C(I)C2=N1 P19237 [0,1,0,0,1,0|2,0,0]=4 116 B12R2.82 CC1=C(Cl)C2=C(C=C1)NC=C2 C73106 [0,1,0,0,1,0|2,0,0]=4 117 B12R2.82 CC1=C(O)C2=C(C=C1)NN=C2 P17648 [0,1,0,0,1,0|2,0,0]=4 118 B12R2.82 FC1=C(Br)C2=C(C=C1)NC=C2 C71868 [0,1,0,0,1,0|2,0,0]=4 119 B12R2.82 FC1=C(Cl)C=CC2=C1NC=C2 W19144 [0,1,0,0,1,0|1,0,1]=4 120 B12R2.82 NC1=C(Cl)C2=C(C=C1)NC=C2 A11723 [0,1,0,0,1,0|2,0,0]=4 121 B12R2.82 NC1=C(F)C2=C(C=C1)NC=C2 F13710 [0,1,0,0,1,0|2,0,0]=4 122 B12R2.202 CN1C=C2C=CC=C(O)C2=N1 D79666 [0,1,0,0,1,0|1,0,0]=3 123 B12R2.202 ClC1=CC=CC2=C1N=C(Br)N2 D83594 [0,1,0,0,1,0|2,0,0]=4 124 B12R2.202 NC1=CC=CC2=C1N=C(Br)S2 C72477 [0,1,0,0,1,0|2,0,0]=4 125 B12R2.202 NC1=CN2C=CC=C(Br)C2=N1 D77625 [0,1,0,0,1,0|2,0,0]=4 126 B12R2.202 NC1=NN2C(Br)=CC=CC2=C1 P17654 [0,1,0,0,1,0|2,0,0]=4 127 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 C14609 [0,1,0,0,1,0|1,0,1]=4 128 B12R2.221 BrC1=CC=C(Br)N2N=CC=C12 P16579 [0,1,0,0,1,0|2,0,0]=4 129 B12R2.221 CC1=CC=C(Br)C2=CC=NN12 P17362 [0,1,0,0,1,0|2,0,0]=4 130 B12R2.221 ClC1=C2OC=CC2=C(Br)C=C1 C76756 [0,1,0,0,1,0|2,0,0]=4 131 B12R2.221 ClC1=CC=C(Br)N2N=CC=C12 D84892 [0,1,0,0,1,0|2,0,0]=4 132 B12R2.221 NC1=C2NC=CC2=C(F)C=C1 I11398 [0,1,0,0,1,0|1,0,1]=4 133 B12R2.246 CC1=CC(Br)=C2C=CNC2=C1 C10136 [0,1,0,0,1,0|2,0,0]=4 134 B12R2.246 FC1=C2N=CSC2=CC(Br)=C1 97343 [0,1,0,0,1,0|2,0,0]=4 135 B12R2.246 OC1=CC(Br)=C2OC=CC2=C1 C75819 [0,1,0,0,1,0|2,0,0]=4 136 B12R2.315 COC1=C2NC=CC2=CN=C1 P12996 [0,1,0,0,1,0|1,0,1]=4 137 B12R2.315 COC1=C2OC=CC2=CC=N1 P10785 [0,1,0,0,1,0|2,0,0]=4 138 B12R2.315 NCC1=CC=CC2=C1C=CS2 32319 [0,1,0,0,1,0|2,0,0]=4 139 B12R2.315 OCC1=CC=CN2C=NC=C12 55178 [0,1,0,0,1,0|2,0,0]=4 140 B14R2.92 COC1=C(Cl)C2=NC=CC=C2C=C1 C72663 [0,2,0,0,0,0|1,0,0]=3 141 B14R2.203 COC1=C(Br)C=CC2=NC=CC=C21 K10153 [0,2,0,0,0,0|2,0,0]=4 142 B14R2.203 O=CC1=C(O)C=NC2=CC=CN=C21 67232 [0,2,0,0,0,0|1,0,1]=4 143 B14R2.4513 OC1=CC=C2C=CC(F)=C(F)C2=C1 D83178 [0,2,0,0,0,0|2,0,0]=4 144 B14R2.7724 CC1=CC(C)=C(O)C2=NC=CC=C12 F11825 [0,2,0,0,0,0|0,0,0]=2 145 B14R2.142 COC1=CC2=C(N)C=CC=C2C=C1 76420 [0,2,0,0,0,0|2,0,0]=4 146 B14R2.142 N#CC1=CC=C2N=CC=C(O)C2=C1 Y14685 [0,2,0,0,0,0|2,0,0]=4 147 B14R2.142 O=CC1=CC=C2C=CC=C(Br)C2=C1 FD10668 [0,2,0,0,0,0|2,0,0]=4 148 B14R2.8045 CC1=NC2=C(C=CC=C2O)C(=O)N1 D95563 [0,2,0,0,0,0|1,0,0]=3 149 B14R2.8235 CC1=CC=C2C=C(Br)C=C(N)C2=N1 C11438 [0,2,0,0,0,0|1,0,0]=3 150 B14R2.8751 CC1=CC=C2C(Cl)=CC=C(C)C2=N1 D80147 [0,2,0,0,0,0|1,0,0]=3 151 B14R2.11684 CC1=CC=C2C=CC=C(C#N)C2=N1 W15832 [0,2,0,0,0,0|1,0,0]=3 152 B14R2.11684 COC1=C2N=C(Cl)C=NC2=CC=C1 C76068 [0,2,0,0,0,0|1,0,0]=3 153 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F D72313 [0,2,0,0,0,0|1,0,1]=4 154 B14R2.1146 COC1=CC(Br)=CC2=CC=NC=C21 C13452 [0,2,0,0,0,0|2,0,0]=4 155 B14R2.1146 COC1=CC(Cl)=NC2=CC=CC=C21 88970 [0,2,0,0,0,0|2,0,0]=4 156 B14R2.1078 O=CC1=C2C=CC=C(Br)C2=CC=C1 AT10844 [0,2,0,0,0,0|1,0,1]=4 157 B14R2.1078 O=CC1=CC=CC2=C(O)C=CC=C12 AC4306 [0,2,0,0,0,0|1,0,0]=3 158 B14R2.1131 N#CC1=CC=C(Br)C2=NC=CN=C12 AC5516 [0,2,0,0,0,0|2,0,0]=4 159 B14R2.1073 COC1=C2N=CC(Cl)=NC2=CC=C1 C76433 [0,2,0,0,0,0|1,0,0]=3 160 B14R2.1073 COC1=CC=CC2=C1N=CC(=O)N2 Y13545 [0,2,0,0,0,0|1,0,0]=3 161 B14R2.11635 COC1=C2C(=O)C=CNC2=CC=C1 F13845 [0,2,0,0,0,0|2,0,0]=4 162 B14R2.11635 COC1=CC=CC2=CC=CC(O)=C21 F15621 [0,2,0,0,0,0|1,0,0]=3 163 B14R2.31359 C[C@H](N)C1=C2N=CC=CC2=CC=C1 Y11516 [0,2,0,0,0,0|1,0,0]=3 164 B14R2.31359 C[C@H](N)C1=C2N=CC=CC2=CC=C1 Y12205 [0,2,0,0,0,0|1,0,0]=3 165 B10R2.7 C1=CC2=C(N=N1)NC=C2 P11077 [1,0,0,0,1,0|2,0,0]=4 166 B10R2.7 C1=CC2=NC=CN2C=N1 C74426 [1,0,0,0,1,0|2,0,0]=4