0 B13R2.162 CC1=C2C=C(Br)C=CC2=CC=C1 97755 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 CC1=CC=C2C=CC=C(Cl)C2=C1 P16840 [1,0,0,0,0,0|2,1,0]=4 2 B13R2.162 CC1=CN=C2C=CC=C(Br)C2=C1 C15736 [1,0,0,0,0,0|1,1,1]=4 3 B13R2.162 ClC1=C2C=C(Br)C=CC2=CC=C1 A10733 [1,0,0,0,0,0|2,1,0]=4 4 B13R2.162 ClC1=C2C=C(Br)C=NC2=CC=C1 80405 [1,0,0,0,0,0|1,1,1]=4 5 B13R2.162 FC1=C2C=C(Br)C=CC2=NC=C1 F51276 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 FC1=C2C=C(Br)C=NC2=CC=C1 80406 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.162 FC1=CN=C2C=CC=C(Br)C2=C1 80412 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 D93765 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=C1 W18066 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 33232 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.162 NC1=C2C=C(Cl)C=NC2=CC=C1 33259 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.162 NC1=C2C=C(F)C=NC2=CC=C1 33211 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 NC1=CC=C2C=CC=C(F)C2=N1 80374 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 Y11357 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.162 NC1=CN=C2C=CC=C(Br)C2=C1 80357 [1,0,0,0,0,0|1,1,1]=4 16 B13R2.162 NC1=CN=C2C=CC=C(F)C2=C1 80355 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.162 NC1=CN=C2C=CC=C(O)C2=C1 80356 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 C76281 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 80399 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.162 OC1=C2C=C(Cl)C=CC2=CC=C1 W18102 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.162 OC1=C2C=C(F)C=CC2=CC=C1 S10318 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 80401 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 N12565 [1,0,0,0,0,0|1,1,0]=3 24 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=C1 Y11367 [1,0,0,0,0,0|1,1,0]=3 25 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 83450 [1,0,0,0,0,0|1,0,0]=2 26 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 F53413 [1,0,0,0,0,0|2,1,0]=4 27 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 C72816 [1,0,0,0,0,0|2,1,0]=4 28 B13R2.162 OC1=CN=C2C=CC=C(F)C2=C1 33309 [1,0,0,0,0,0|0,0,1]=2 29 B13R2.162 OC1=NC=C2C=CC=C(Br)C2=C1 78517 [1,0,0,0,0,0|2,1,0]=4 30 B13R2.369 CC1=CC2=CC=CC=C2C=C1C A12662 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 84046 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br F13558 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.369 NC1=CC2=CC=CC=C2C=C1I 68062 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.369 NC1=CC2=CC=CC=C2N=C1Cl AC1585 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br 25602 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [1,0,0,0,0,0|1,0,2]=4 39 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [1,0,0,0,0,0|1,0,0]=2 40 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [1,0,0,0,0,0|0,0,0]=1 41 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [1,0,0,0,0,0|0,0,2]=3 42 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [1,0,0,0,0,0|2,0,0]=3 43 B13R2.369 O=C1NC2=C(C=NC=C2)NC1=O F20946 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [1,0,0,0,0,0|2,0,0]=3 47 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br T70735 [1,0,0,0,0,0|2,0,0]=3 48 B13R2.369 OC1=CC2=CC=CC=C2C=C1O AC2509 [1,0,0,0,0,0|1,0,1]=3 49 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 87954 [1,0,0,0,0,0|1,0,1]=3 50 B13R2.369 OC1=CC2=CN=CC=C2C=C1Br 79646 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.5179 CC1=CC=C2C(Br)=CC=CC2=N1 AC2042 [1,0,0,0,0,0|1,1,1]=4 52 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 H10153 [1,0,0,0,0,0|1,1,1]=4 53 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 C71537 [1,0,0,0,0,0|3,0,0]=4 54 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 D72057 [1,0,0,0,0,0|1,0,2]=4 55 B13R2.5179 CC1=CC=CC2=NC(=O)C=CN12 T71871 [1,0,0,0,0,0|2,0,1]=4 56 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 76214 [1,0,0,0,0,0|2,0,1]=4 57 B13R2.5179 ClC1=CC=C2C(Br)=CC=CC2=N1 82180 [1,0,0,0,0,0|1,1,1]=4 58 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 80783 [1,0,0,0,0,0|1,1,1]=4 59 B13R2.5179 FC1=C2C=CC(Cl)=NC2=CC=C1 CL1043 [1,0,0,0,0,0|1,0,1]=3 60 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 86860 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 87270 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=N1 82208 [1,0,0,0,0,0|1,1,1]=4 63 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C76155 [1,0,0,0,0,0|1,1,1]=4 64 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 A51054 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 69226 [1,0,0,0,0,0|1,0,0]=2 66 B13R2.5179 NC1=CC=CC2=C1CCC(=O)N2 80979 [1,0,0,0,0,0|1,0,2]=4 67 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [1,0,0,0,0,0|2,0,0]=3 68 B13R2.5179 NC1=CN=C2C(F)=CC=CC2=C1 87273 [1,0,0,0,0,0|3,0,0]=4 69 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 AC5050 [1,0,0,0,0,0|2,0,1]=4 70 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 69227 [1,0,0,0,0,0|0,1,0]=2 71 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 30613 [1,0,0,0,0,0|1,0,0]=2 72 B13R2.5179 O=C1C=CC2=C(O)C=CN=C2N1 59621 [1,0,0,0,0,0|2,0,0]=3 73 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 26384 [1,0,0,0,0,0|0,1,2]=4 74 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 28515 [1,0,0,0,0,0|1,0,2]=4 75 B13R2.5179 O=C1CCC2=C(F)C=CN=C2N1 P16126 [1,0,0,0,0,0|1,0,2]=4 76 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [1,0,0,0,0,0|1,0,1]=3 77 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [1,0,0,0,0,0|1,1,0]=3 78 B13R2.5179 O=C1NC2=CC=CC(Br)=C2CO1 94051 [1,0,0,0,0,0|1,1,1]=4 79 B13R2.5179 O=C1NC2=CC=CC(F)=C2CO1 AC4758 [1,0,0,0,0,0|1,0,1]=3 80 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 21067 [1,0,0,0,0,0|3,0,0]=4 81 B13R2.5179 OC1=C2C=CC(Cl)=CC2=CC=C1 53844 [1,0,0,0,0,0|3,0,0]=4 82 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 53843 [1,0,0,0,0,0|3,0,0]=4 83 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=C1 N14953 [1,0,0,0,0,0|1,1,1]=4 84 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 N14954 [1,0,0,0,0,0|1,0,1]=3 85 B13R2.5179 OC1=CN=C2C(F)=CC=CC2=C1 33251 [1,0,0,0,0,0|2,0,1]=4 86 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,0,1,0,0,0|3,0,0]=4 87 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O AC5802 [0,0,0,0,1,0|2,0,1]=4 88 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O AC3054 [0,0,0,0,1,0|2,0,1]=4 89 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 82428 [0,0,0,0,1,0|1,1,1]=4 90 B13R2.4856 CC1=CC=CC2=C1[C@H](N)C(=O)N2 W11763 [0,0,0,0,1,0|2,0,1]=4 91 B13R2.4856 CN1C(=O)NC2=CC=CC(Br)=C21 D86137 [0,0,0,0,1,0|2,1,0]=4 92 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O 83458 [0,0,0,0,1,0|0,0,1]=2 93 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [1,0,1,0,0,0|1,0,0]=3 94 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [1,0,1,0,0,0|2,0,0]=4 95 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [1,0,1,0,0,0|1,0,0]=3 96 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [2,0,0,0,0,0|1,0,1]=4 97 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [2,0,0,0,0,0|1,0,1]=4 98 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [2,0,0,0,0,0|1,0,1]=4 99 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [2,0,0,0,0,0|1,0,1]=4 100 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [2,0,0,0,0,0|1,0,0]=3 101 B12R2.24 O=C1C=CC2=NC=CN=C2N1 26897 [2,0,0,0,0,0|2,0,0]=4 102 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [2,0,0,0,0,0|1,0,1]=4 104 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [2,0,0,0,0,0|0,1,1]=4 105 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [2,0,0,0,0,0|1,0,1]=4 106 B12R2.1081 FC1=CC=CC2=CC=NC=C12 69666 [2,0,0,0,0,0|2,0,0]=4 107 B12R2.1081 FC1=CC=CC2=NC=NC=C12 D74599 [2,0,0,0,0,0|1,0,1]=4 108 B12R2.1081 FC1=CC=NC2=CC=CC=C12 C13619 [2,0,0,0,0,0|2,0,0]=4 109 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 62544 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.142 COC1=CC=C2C=CC=C(Br)C2=C1 N14593 [1,1,0,0,0,0|1,1,0]=4 111 B14R2.8751 OC1=CC=C2C(O)=CC=C(F)C2=C1 W12139 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.11684 N#CC1=C2C=C(O)C=CC2=CC=C1 P16719 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br E10143 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.1128 N#CC1=CC2=CC=CC=C2C=C1O AC6293 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1F E70294 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O F16157 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Cl F16392 [1,1,0,0,0,0|1,0,1]=4 118 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O F19184 [1,1,0,0,0,0|1,0,0]=3 119 B14R2.8239 CC1=CC2=C(C=C(O)C=C2)OC1=O C90473 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)NC1=O 89333 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O O10941 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 C16248 [1,1,0,0,0,0|1,0,1]=4 123 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 D82884 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)N2 F19189 [1,1,0,0,0,0|1,0,0]=3 125 B14R2.8038 CN1C(=O)C=CC2=C(Br)C=CC=C21 87109 [1,1,0,0,0,0|0,1,0]=3 126 B14R2.28480 O=C1C=C(O)C2=C(Cl)C=CC=C2O1 AC2063 [1,1,0,0,0,0|1,1,0]=4 127 B14R2.28480 O=C1NC(=O)C2=C(Br)C=CC=C2N1 52966 [1,1,0,0,0,0|1,1,0]=4 128 B14R2.28480 O=C1NC(=S)NC2=C1C(F)=CC=C2 D80001 [1,1,0,0,0,0|1,1,0]=4 129 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 91450 [1,1,0,0,0,0|1,1,0]=4 130 B14R2.29365 CC1=CC=C2C(F)=CC(F)=CC2=N1 D80127 [1,1,0,0,0,0|1,0,1]=4 131 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 25172 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.29369 O=C1CCC2=C(C=CC(Br)=C2F)N1 69695 [1,1,0,0,0,0|0,0,2]=4 133 B14R2.29369 O=C1N=CC2=C(C=CC(Br)=C2F)N1 F15814 [1,1,0,0,0,0|1,0,0]=3 134 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1F C75195 [1,1,0,0,0,0|2,0,0]=4 135 B14R2.8737 CC1=C(F)C2=C(C=C1)C(=O)C(=O)N2 35704 [0,1,0,0,1,0|1,0,1]=4 136 B14R2.8737 O=C1NC2=C(C=CC(Cl)=C2F)C1=O 53898 [0,1,0,0,1,0|1,0,1]=4 137 B14R2.8054 CC1(C)C(=O)NC2=CC=CC(F)=C21 85469 [0,1,0,0,1,0|1,0,1]=4 138 B14R2.27750 CC1=C2C(=O)C(=O)NC2=CC(Br)=C1 D80217 [0,1,0,0,1,0|1,0,1]=4 139 B14R2.27750 O=C1NC2=CC(F)=CC(Cl)=C2C1=O SC5081 [0,1,0,0,1,0|0,1,1]=4 140 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=N1 11947 [0,0,1,1,0,0|2,0,0]=4 141 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,0,1,0,1,0|0,0,2]=4 142 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,0,1,0,1,0|1,1,0]=4 143 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,0,1,0,1,0|1,0,1]=4 144 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 69005 [1,0,0,0,1,0|1,1,0]=4 145 B12R2.202 CC1=CC2=C(F)C=CC=C2N1 I11356 [1,0,0,0,1,0|1,0,0]=3 146 B12R2.202 FC1=CC=CC2=C1N=C(Cl)N2 27168 [1,0,0,0,1,0|2,0,0]=4 147 B12R2.202 FC1=CC=CC2=C1SC(=S)N2 N17003 [1,0,0,0,1,0|1,1,0]=4 148 B12R2.202 NC1=NC2=C(F)C=CC=C2N1 AC1945 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 C74328 [1,0,0,0,1,0|1,0,1]=4 150 B12R2.203 CC1=CNC2=CC=CC(O)=C12 71522 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.203 FC1=C2C(=CC=C1)NN=C2Br I11311 [1,0,0,0,1,0|2,0,0]=4 152 B12R2.203 FC1=C2C(Br)=CNC2=NC=C1 I10053 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.203 FC1=C2C(I)=CNC2=NC=C1 I10877 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.203 OC1=NOC2=CC=CC(F)=C21 66461 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [1,0,0,0,1,0|1,0,1]=4 156 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O 27540 [1,0,0,0,1,0|1,0,1]=4 157 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [1,0,0,0,1,0|1,0,1]=4 158 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [1,0,0,0,1,0|1,0,1]=4