0 B13R2.369 CC1=CC2=CC=CC=C2C=C1C A12662 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 CC1=CC2=NC=CN=C2C=C1Br D95157 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 84046 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 FC1=CC2=CC=CN=C2C=C1F D94475 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 FC1=CC2=NC=CN=C2C=C1F D80078 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br F13558 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 NC1=CC2=CC=CC=C2C=C1I 68062 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.369 NC1=CC2=CC=CC=C2N=C1Cl AC1585 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.369 NC1=CC2=CC=CN=C2C=C1F 95701 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br 25602 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,0,0,0,0,0|1,0,0]=1 15 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,0,0,0,0,0|1,0,2]=3 16 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.369 O=C1NC2=C(C=NC=C2)NC1=O F20946 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br T70735 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.369 OC1=CC2=CC=CC=C2C=C1O AC2509 [0,0,0,0,0,0|2,0,1]=3 23 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 87954 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.369 OC1=CC2=CN=CC=C2C=C1Br 79646 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 39321 [1,0,0,0,0,0|1,0,1]=3 26 B12R2.24 BrC1=CC2=CC=NN=C2C=C1 O11557 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BL002815 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 SC1031 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 W18658 [1,0,0,0,0,0|1,0,1]=3 30 B12R2.24 CC1=NC2=NC=CN=C2C=C1 C72942 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 C74810 [1,0,0,0,0,0|1,0,1]=3 32 B12R2.24 ClC1=CC2=CN=CN=C2C=C1 83074 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 ClC1=CC2=NC=NC=C2C=C1 W17147 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 68776 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 ClC1=NC2=CC=CN=C2N=C1 27771 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 F20209 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.24 ClC1=NC2=NC=CC=C2C=N1 37149 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 ClC1=NC2=NC=CC=C2N=C1 27118 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 IC1=CC2=NC=CN=C2C=C1 81077 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 IC1=CC2=NC=CN=C2N=C1 D79724 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 IC1=CC2=NC=NC=C2C=C1 O11658 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 NC1=CC2=NC=CC=C2N=C1 86466 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 NC1=CC=C2C=CC=NC2=C1 32470 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 NC1=CC=C2C=NC=NC2=C1 O12065 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.24 NC1=NC2=CC=CN=C2C=C1 C15126 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 NC1=NC2=NC=CC=C2C=C1 26493 [1,0,0,0,0,0|1,0,1]=3 51 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [1,0,0,0,0,0|0,0,0]=1 52 B12R2.24 O=C1C=CC2=NC=CN=C2N1 26897 [1,0,0,0,0,0|1,0,0]=2 53 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [1,0,0,0,0,0|0,0,2]=3 55 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [1,0,0,0,0,0|1,0,2]=4 56 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [1,0,0,0,0,0|2,0,1]=4 57 B12R2.24 OC1=CC2=NC=CN=C2C=C1 W16762 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 OC1=NC2=CC=CN=C2C=C1 68775 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [1,0,0,0,0,0|1,1,1]=4 60 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [1,0,0,0,0,0|2,0,1]=4 61 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br E10143 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.1128 COC1=CC2=CC=CN=C2C=C1C W10697 [0,1,0,0,0,0|2,0,0]=3 63 B14R2.1128 COC1=CC2=NC=CC=C2C=C1Br F30699 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.1128 COC1=CC2=NC=CC=C2C=C1N F30700 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.1128 N#CC1=CC2=CC=CC=C2C=C1O AC6293 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1F E70294 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O F16157 [0,1,0,0,0,0|2,0,0]=3 68 B14R2.1128 O=CC1=CC2=CC=CN=C2C=C1F 27721 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Cl F16392 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O F19184 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.8188 CN1C(=O)C(=O)NC2=C1C=CC=N2 D83397 [0,1,0,0,0,0|1,0,1]=3 72 B14R2.8239 CC1=CC2=C(C=C(O)C=C2)OC1=O C90473 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.8239 CC1=CC=C2C=C(Cl)C(F)=CC2=N1 P18114 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)NC1=O 89333 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.8239 FC1=C(F)C=C2N=CC(Br)=CC2=C1 73649 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O O10941 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 C16248 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 D82884 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.28472 O=C1NC=NC2=C1C=C(O)C(O)=C2 AB9106 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,0,1,0,0,0|2,0,0]=3 82 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [0,0,1,0,0,0|3,0,0]=4 83 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 37703 [0,0,0,0,1,0|2,0,0]=3 84 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 38229 [0,0,0,0,1,0|2,0,0]=3 85 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [0,0,0,0,1,0|1,0,1]=3 86 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,0,0,0,1,0|2,0,1]=4 87 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O 27540 [0,0,0,0,1,0|0,0,1]=2 88 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,1,0,0,0|0,0,2]=4 90 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [1,0,1,0,0,0|1,0,1]=4 95 B11R2.20 C1=CC2=CC=NC=C2N=C1 50496 [2,0,0,0,0,0|2,0,0]=4 96 B11R2.20 C1=CC2=CN=CC=C2N=C1 SC3611 [2,0,0,0,0,0|2,0,0]=4 97 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [2,0,0,0,0,0|2,0,0]=4 99 B13R2.32 CC1=C(Br)C2=CC=CN=C2C=C1 F52037 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.32 CC1=C(Br)C=CC2=NC=CC=C21 F19194 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.32 CC1=C(Cl)C=CC2=CC=CN=C21 F19163 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.32 CC1=C(O)C2=CC=CN=C2C=C1 F20274 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 C75922 [1,1,0,0,0,0|1,0,1]=4 104 B13R2.32 ClC1=C(Br)C=CC2=CC=CN=C21 VT1432 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.32 FC1=C(Br)C2=NC=CC=C2C=C1 73656 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.32 FC1=C(Br)C=CC2=NC=CC=C21 95703 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.32 NC1=C(Br)C=CC2=CC=CN=C21 Y13565 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.32 NC1=C(Cl)C=CC2=CC=CN=C21 73662 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.32 NC1=C(O)C=CC2=NC=CC=C21 95715 [1,1,0,0,0,0|1,0,0]=3 110 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 79295 [1,1,0,0,0,0|1,0,1]=4 111 B13R2.32 OC1=C(Br)C2=CC=CN=C2C=C1 95714 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.32 OC1=C(Cl)C=CC2=CC=CN=C21 O11652 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.32 OC1=C(F)C2=CC=CN=C2C=C1 33740 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 34754 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 T71079 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 O11502 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.57 C#CC1=CC=C2N=CC=CC2=C1 C76516 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.57 COC1=CC2=NC=CC=C2C=C1 31891 [1,1,0,0,0,0|1,0,1]=4 119 B13R2.57 ClCC1=CC2=CC=CN=C2C=C1 70964 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.57 N#CC1=CC2=NC=CC=C2C=C1 79349 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 78919 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 24417 [1,1,0,0,0,0|1,0,0]=3 123 B13R2.57 O=CC1=CC2=NC=CN=C2C=C1 25704 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.155 BrC1=CC=C2C=CC(Br)=NC2=C1 78703 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.155 BrC1=CC=C2C=CC(Br)=NC2=N1 D96071 [1,1,0,0,0,0|1,0,1]=4 126 B13R2.155 BrC1=CN=C2C=CC(I)=CC2=C1 C73886 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 I11455 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 97613 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.155 CC1=CC=C2C=CC(O)=CC2=C1 N12964 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.155 CC1=CC=C2C=CC(O)=CC2=N1 AC4651 [1,1,0,0,0,0|1,0,1]=4 131 B13R2.155 CC1=CN=C2C=CC(Br)=CC2=C1 AC8709 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.155 ClC1=CC=C2N=CC(Br)=CC2=C1 80390 [1,1,0,0,0,0|2,0,0]=4 133 B13R2.155 ClC1=CN=C2C=CC(Br)=CC2=C1 80407 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.155 FC1=CC=C2C=CC(Br)=NC2=C1 D71006 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.155 FC1=CC=C2N=CC(Br)=CC2=C1 80396 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 65843 [1,1,0,0,0,0|1,0,0]=3 137 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=N1 F51321 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 82402 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.155 NC1=CC=C2C=CC(Cl)=CC2=N1 72244 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.155 NC1=CC=C2C=CC(Cl)=NC2=N1 D79935 [1,1,0,0,0,0|1,0,1]=4 141 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 C75426 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.155 NC1=CC=C2N=CC(Cl)=CC2=C1 33243 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.155 NC1=CC=C2N=CC(F)=CC2=C1 86894 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.155 NC1=CC=C2OCC(=O)NC2=N1 C90454 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.155 NC1=CN=C2C=CC(Br)=CC2=C1 80351 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.155 NC1=CN=C2C=CC(Cl)=CC2=C1 80340 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.155 NC1=CN=C2C=CC(F)=CC2=C1 68616 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.155 NC1=CN=C2C=CC(O)=CC2=C1 80347 [1,1,0,0,0,0|1,0,0]=3 149 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)O1 AC2173 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 P11961 [1,1,0,0,0,0|1,0,0]=3 151 B13R2.155 O=C1C=CC2=NC=C(Br)C=C2N1 F15615 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.155 O=C1C=CC2=NC=C(Cl)C=C2N1 91721 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.155 O=C1C=CC2=NC=C(F)C=C2N1 F31204 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 52463 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 57586 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.155 OC1=CC=C2C=CC(Cl)=CC2=C1 N14581 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 W16896 [1,1,0,0,0,0|1,0,1]=4 159 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 80395 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.155 OC1=CC=C2N=CC(Cl)=NC2=C1 D80258 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.155 OC1=CC=C2N=CC(F)=CC2=C1 80397 [1,1,0,0,0,0|1,0,0]=3 162 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 C76988 [1,1,0,0,0,0|1,0,0]=3 163 B13R2.155 OC1=CN=C2C=CC(Br)=CC2=C1 83287 [1,1,0,0,0,0|1,0,1]=4 164 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 33286 [1,1,0,0,0,0|1,0,1]=4 165 B13R2.155 OC1=CN=C2C=CC(F)=CC2=C1 33295 [1,1,0,0,0,0|1,0,1]=4 166 B13R2.162 BrC1=CC=C2N=CC=C(Br)C2=C1 C77176 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.162 CC1=C2C=C(I)C=CC2=NC=C1 C75712 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.162 CC1=CC=C2N=CC=C(Cl)C2=C1 27969 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 C74209 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.162 ClC1=C2C=C(I)C=CC2=NC=C1 52947 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.162 ClC1=CC=C2N=CC=C(Br)C2=C1 82809 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.162 FC1=C2C=C(Br)C=CC2=NC=C1 F51276 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.162 FC1=CC=C2N=CC=C(Br)C2=C1 82808 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.162 NC1=C2C=C(Br)C=CC2=NC=C1 AB1038 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.162 NC1=CC=C2N=CC=C(Br)C2=C1 80373 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.162 NC1=CC=C2N=CC=C(Cl)C2=C1 80372 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 C76281 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 F19924 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.162 O=C1C=NC2=CC=CC(Br)=C2N1 76432 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 N12565 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=C1 Y11367 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 83450 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 F53413 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 C72816 [1,1,0,0,0,0|1,0,0]=3 185 B13R2.162 OC1=CN=C2C=CC=C(F)C2=C1 33309 [1,1,0,0,0,0|1,0,1]=4 186 B13R2.328 BrC1=CC(Br)=NC2=NC=CC=C12 F12406 [1,1,0,0,0,0|1,0,1]=4 187 B13R2.328 BrC1=CC2=NC=CC=C2C(Br)=C1 C74772 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.328 CC1=CC(=O)NC2=NC=CC=C12 33279 [1,1,0,0,0,0|0,0,0]=2 190 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.328 CC1=CC2=CC=CN=C2C(Cl)=C1 27754 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.328 CC1=CC2=CC=CN=C2C(O)=C1 C73976 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.328 ClC1=CC(I)=CC2=CC=CN=C12 C71381 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.328 ClC1=CC2=CC=CN=C2C(Br)=C1 84590 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.328 ClC1=CC2=NC=CC=C2C(Br)=C1 K10004 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.328 FC1=CC2=NC=CC=C2C(F)=C1 D95798 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 35478 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.328 NC1=CC(Br)=CC2=CC=CN=C12 C75683 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.328 NC1=CC(Cl)=CC2=CC=CN=C12 Y10968 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.328 NC1=CC(F)=CC2=CC=CN=C12 A50072 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.328 NC1=CC(O)=CC2=CC=CN=C12 D70468 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.328 NC1=CC2=CC=CN=C2C(Cl)=C1 O11673 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.328 NC1=CC2=CC=CN=C2C(F)=C1 D83276 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 F52101 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 51680 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.328 O=C1NC(=O)C2=C(N=CN=C2)N1 AT26078 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.328 OC1=CC(Br)=CC2=CC=CN=C12 F52175 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.328 OC1=CC(Br)=CC2=NC=CC=C12 27480 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.328 OC1=CC(Cl)=CC2=CC=CN=C12 71757 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.328 OC1=CC(Cl)=CC2=NC=CC=C12 K10272 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.328 OC1=CC(F)=CC2=CC=CN=C12 27630 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.328 OC1=CC2=CC=CN=C2C(Br)=C1 87935 [1,1,0,0,0,0|1,0,0]=3 213 B13R2.328 OC1=CC2=CC=CN=C2C(F)=C1 K10191 [1,1,0,0,0,0|1,0,0]=3 214 B13R2.328 OC1=NC2=NC=CC=C2C(Br)=C1 AC1893 [1,1,0,0,0,0|0,0,2]=4 215 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 83932 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.3683 BrC1=CN=C2C=C(I)C=CC2=C1 W17827 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.3683 CC1=CC=C2C=C(I)C=CC2=N1 72392 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 O11612 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.3683 CC1=CC=C2N=C(N)C=CC2=C1 W10173 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 30124 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 80430 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=N1 74726 [1,1,0,0,0,0|1,0,1]=4 224 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 27702 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 83960 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.3683 ClC1=CN=C2C=C(Br)C=CC2=C1 80424 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.3683 ClC1=CN=C2N=C(Cl)C=CC2=C1 74531 [1,1,0,0,0,0|1,0,1]=4 228 B13R2.3683 FC1=CC=C2N=C(Br)C=CC2=C1 83961 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 W17152 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 82326 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 33235 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=N1 27683 [1,1,0,0,0,0|1,0,1]=4 233 B13R2.3683 NC1=CC=C2C=C(Cl)C=CC2=N1 N12853 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.3683 NC1=CC=C2C=C(Cl)C=NC2=C1 32795 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=N1 27083 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.3683 NC1=CC=C2C=C(I)C=CC2=N1 D85332 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 33248 [1,1,0,0,0,0|1,0,1]=4 238 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 80445 [1,1,0,0,0,0|2,0,0]=4 239 B13R2.3683 NC1=CC=C2N=C(N)C=CC2=C1 80386 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.3683 NC1=CC=C2N=C(O)C=CC2=C1 CS1137 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.3683 NC1=CN=C2C=C(Br)C=CC2=C1 80378 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.3683 NC1=CN=C2C=C(Cl)C=CC2=C1 80393 [1,1,0,0,0,0|2,0,0]=4 243 B13R2.3683 NC1=CN=C2C=C(F)C=CC2=C1 80403 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.3683 NC1=CN=C2C=C(O)C=CC2=C1 80447 [1,1,0,0,0,0|1,0,1]=4 245 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [1,1,0,0,0,0|2,0,0]=4 246 B13R2.3683 O=C1C=NC2=CC(Br)=CN=C2N1 D95159 [1,1,0,0,0,0|1,0,0]=3 247 B13R2.3683 O=C1COC2=CC(Br)=CN=C2N1 71913 [1,1,0,0,0,0|1,0,1]=4 248 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 N12660 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.3683 OC1=CC=C2C=C(Cl)C=NC2=C1 80456 [1,1,0,0,0,0|1,0,1]=4 250 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 N14582 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.3683 OC1=CC=C2C=C(F)C=NC2=C1 80458 [1,1,0,0,0,0|1,0,1]=4 252 B13R2.3683 OC1=CC=C2N=C(Cl)C=NC2=C1 W17777 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=C1 K10058 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.3683 OC1=CN=C2C=C(F)C=CC2=C1 K10005 [1,1,0,0,0,0|1,0,1]=4 255 B13R2.5179 BrC1=CC=C2C(I)=CC=NC2=C1 80381 [1,1,0,0,0,0|2,0,0]=4 256 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 C72923 [1,1,0,0,0,0|1,0,1]=4 257 B13R2.5179 ClC1=NC2=NC=CC(Cl)=C2C=C1 W16859 [1,1,0,0,0,0|1,0,1]=4 258 B13R2.5179 FC1=CC=C2C(Br)=CC=NC2=C1 82795 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=C1 73467 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.5179 NC1=C2C=CC(F)=CC2=NC=C1 K10112 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.5179 NC1=CC=C2C(Cl)=CC=NC2=C1 87868 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 69226 [1,1,0,0,0,0|1,0,0]=3 263 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 69227 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 30613 [1,1,0,0,0,0|1,0,0]=3 266 B13R2.5179 O=C1C=CC2=C(O)C=CN=C2N1 59621 [1,1,0,0,0,0|0,0,0]=2 267 B13R2.5179 O=C1CCC2=C(F)C=CN=C2N1 P16126 [1,1,0,0,0,0|0,0,2]=4 268 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=C1 N14953 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 N14954 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.5179 OC1=CN=C2C(Cl)=CC=CC2=C1 33276 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.5179 OC1=CN=C2C(F)=CC=CC2=C1 33251 [1,1,0,0,0,0|1,0,1]=4 273 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 C13632 [0,1,0,0,1,0|2,0,0]=4 274 B13R2.135 CC1=C(C=O)C2=C(N=CC=C2)N1 26469 [0,1,0,0,1,0|1,0,1]=4 275 B13R2.135 N#CC1=C(O)NC2=C1N=CC=C2 D93464 [0,1,0,0,1,0|2,0,0]=4 276 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=N2 68462 [0,1,0,0,1,0|1,0,1]=4 277 B13R2.359 O=C1NC2=C(C=CC=N2)C1(Br)Br 33599 [0,1,0,0,1,0|1,0,1]=4 278 B13R2.3028 C[C@@H]1C(=O)NC2=NC=C(F)C=C21 D97101 [0,1,0,0,1,0|1,0,1]=4 279 B13R2.3028 O=C1NC2=NC=C(Br)C=C2C1=O 27270 [0,1,0,0,1,0|0,0,1]=3 280 B13R2.3085 O=C1C2=CC=CN=C2C(=O)N1O D74337 [0,1,0,0,1,0|1,0,0]=3 281 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O AC5802 [0,1,0,0,1,0|1,0,1]=4 282 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O AC3054 [0,1,0,0,1,0|1,0,1]=4 283 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 82428 [0,1,0,0,1,0|1,0,1]=4 284 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O 83458 [0,1,0,0,1,0|1,0,1]=4 285 B13R2.5190 CC1=CC2=C(C=C1)C(=O)C(=O)N2 30937 [0,1,0,0,1,0|1,0,1]=4 286 B13R2.5190 CN1C(=O)NC2=C1C=CC(Cl)=N2 AC2058 [0,1,0,0,1,0|2,0,0]=4 287 B15R2.117 COC1=CC2=CC=CN=C2C=C1OC P17810 [0,2,0,0,0,0|1,0,1]=4 288 B15R2.274 CC1=C(C#N)C(=O)NC2=C1C=CC=C2 F31340 [0,2,0,0,0,0|2,0,0]=4 289 B15R2.274 CC1=C(CN)C(=O)NC2=C1C=CC=C2 F31342 [0,2,0,0,0,0|2,0,0]=4 290 B15R2.274 N#CC1=C(Cl)C2=C(C=CC=C2)NC1=O H10989 [0,2,0,0,0,0|2,0,0]=4 291 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)NC1=O 72022 [0,2,0,0,0,0|1,0,1]=4 292 B15R2.984 CC(=O)C1=CC2=CC=CC=C2C=C1O W11378 [0,2,0,0,0,0|2,0,0]=4 293 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O Y10350 [0,2,0,0,0,0|0,0,0]=2 294 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O D83313 [0,2,0,0,0,0|1,0,1]=4 295 B15R2.1824 N#CC1=CC2=C(C=CC(Br)=C2)NC1=O W10476 [0,2,0,0,0,0|2,0,0]=4 296 B15R2.2039 CC1=CC=CC2=C1NC(=O)C(C=O)=C2 W10343 [0,2,0,0,0,0|1,0,1]=4 297 B15R2.2393 COC1=C(C)C=C2N=CC=C(Br)C2=C1 C72445 [0,2,0,0,0,0|2,0,0]=4 298 B15R2.2393 COC1=C(F)C=C2N=CC=C(Cl)C2=C1 F20172 [0,2,0,0,0,0|2,0,0]=4 299 B15R2.21336 CSC1=NC2=C(C=N1)C=C(Br)C(=O)N2 P13004 [0,2,0,0,0,0|2,0,0]=4 300 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,0,1,1,0,0|2,0,0]=4 301 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 P15923 [0,0,1,1,0,0|1,0,0]=3 302 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [0,0,1,1,0,0|1,1,0]=4 303 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [0,0,1,1,0,0|1,1,0]=4 304 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,0,1,1,0,0|2,0,0]=4 305 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)N1 D80237 [0,0,1,1,0,0|2,0,0]=4 306 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)O1 W19386 [0,0,1,1,0,0|1,0,0]=3 307 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)S1 C90273 [0,0,1,1,0,0|1,1,0]=4 308 B13R2.54 O=CC1=CC2=C(C=CN=C2F)N1 P20058 [0,0,1,1,0,0|2,0,0]=4 309 B13R2.54 O=CC1=CC2=C(C=CNC2=O)O1 W16861 [0,0,1,1,0,0|1,0,1]=4 310 B11R2.1 BrC1=CNC2=CC=CN=C12 57032 [1,0,0,0,1,0|2,0,0]=4 311 B11R2.1 BrC1=CNC2=NC=CN=C12 27776 [1,0,0,0,1,0|2,0,0]=4 312 B11R2.1 BrC1=COC2=C1C=CC=N2 D82844 [1,0,0,0,1,0|2,0,0]=4 313 B11R2.1 BrC1=CSC2=CC=CN=C12 P11256 [1,0,0,0,1,0|2,0,0]=4 314 B11R2.1 BrC1=NNC2=C1C=CC=N2 FD7340 [1,0,0,0,1,0|2,0,0]=4 315 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [1,0,0,0,1,0|2,0,0]=4 316 B11R2.1 CN1C=CC2=CC=CN=C21 24845 [1,0,0,0,1,0|2,0,0]=4 317 B11R2.1 ClC1=CNC2=C1C=NC=N2 C71171 [1,0,0,0,1,0|2,0,0]=4 318 B11R2.1 ClC1=NNC2=C1C=CC=N2 P10351 [1,0,0,0,1,0|2,0,0]=4 319 B11R2.1 FC1=CNC2=C1C=CC=N2 P15371 [1,0,0,0,1,0|1,0,0]=3 320 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [1,0,0,0,1,0|2,0,0]=4 321 B11R2.1 NC1=CNC2=NC=CC=C12 78898 [1,0,0,0,1,0|1,0,0]=3 322 B11R2.1 NC1=CSC2=C1N=CC=C2 D79718 [1,0,0,0,1,0|2,0,0]=4 323 B11R2.1 NC1=CSC2=NC=CC=C12 H12065 [1,0,0,0,1,0|2,0,0]=4 324 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [1,0,0,0,1,0|1,0,0]=3 325 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [1,0,0,0,1,0|1,0,1]=4 326 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [1,0,0,0,1,0|1,0,1]=4 327 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [1,0,0,0,1,0|2,0,0]=4 328 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [1,0,0,0,1,0|2,0,0]=4 329 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [1,0,0,0,1,0|2,0,0]=4 330 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 74877 [1,0,0,0,1,0|1,0,0]=3 331 B11R2.10 BrC1=CC2=C(N=CN=C2)N1 P14135 [1,0,0,0,1,0|2,0,0]=4 332 B11R2.10 BrC1=NC2=C(N=CC=C2)N1 P17806 [1,0,0,0,1,0|2,0,0]=4 333 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [1,0,0,0,1,0|2,0,0]=4 334 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [1,0,0,0,1,0|2,0,0]=4 335 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [1,0,0,0,1,0|2,0,0]=4 336 B11R2.10 IC1=CC2=C(N=CN=C2)N1 P14375 [1,0,0,0,1,0|2,0,0]=4 337 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [1,0,0,0,1,0|2,0,0]=4 338 B11R2.10 O=C1NC2=C(N=CC=N2)N1 D83988 [1,0,0,0,1,0|2,0,0]=4 339 B11R2.36 OC1=CC2=C(C=C1)N=CO2 D77541 [1,0,0,0,1,0|2,0,0]=4 340 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [1,0,0,0,1,0|2,0,0]=4 341 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [1,0,0,0,1,0|2,0,0]=4 342 B11R2.36 OC1=CC2=CC=NN2C=C1 F14487 [1,0,0,0,1,0|2,0,0]=4 343 B11R2.36 OC1=CN2C=CN=C2C=C1 C76929 [1,0,0,0,1,0|2,0,0]=4 344 B11R2.36 OC1=CN=C2SC=CC2=C1 72434 [1,0,0,0,1,0|1,0,1]=4