0 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,0,0,0,0,0|0,0,2]=3 27 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,0,0,0,0|0,0,2]=3 28 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,0,0,0,0,0|0,0,0]=1 32 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,0,0,0,0,0|0,0,1]=2 36 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,0,0,0,0,0|1,0,1]=3 38 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [0,1,0,0,0,0|0,0,2]=3 39 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [0,1,0,0,0,0|0,0,2]=3 40 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [0,1,0,0,0,0|0,0,2]=3 41 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 8193 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3126 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 28883 [0,1,0,0,0,0|0,0,2]=3 45 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 27528 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [0,1,0,0,0,0|0,0,2]=3 47 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 20165 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,1,0,0,0,0|0,0,2]=3 53 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,1,0,0,0,0|0,0,2]=3 54 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,1,0,0,0,0|0,0,2]=3 55 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,1,0,0,0,0|0,0,2]=3 56 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,1,0,0,0,0|0,0,2]=3 57 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [0,1,0,0,0,0|0,0,2]=3 62 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 15568 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 25932 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 15538 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 27480 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [0,0,0,1,0,0|1,0,1]=3 67 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [0,0,0,1,0,0|1,0,1]=3 68 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [0,0,0,1,0,0|1,0,0]=2 69 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 13696 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 34401 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.32 NC1=C(N)C2=CC=CC=C2C=C1 35202 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 22909 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 28186 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [0,0,0,1,0,0|1,0,2]=4 76 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 9429 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 23800 [0,0,0,1,0,0|3,0,0]=4 78 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 19828 [0,0,0,1,0,0|2,0,1]=4 79 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 9471 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 7519 [0,0,0,1,0,0|3,0,0]=4 81 B13R2.57 COC1=CC2=CC=CC=C2C=C1 29075 [0,0,0,1,0,0|1,0,0]=2 82 B13R2.57 COC1=CC2=NC=CC=C2N=C1 27166 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.57 COC1=CC=C2C=CN=CC2=C1 6277 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.57 COC1=CC=C2C=NC=CC2=C1 6276 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.57 COC1=CC=C2N=CC=CC2=C1 5917 [0,0,0,1,0,0|2,0,0]=3 86 B13R2.57 COC1=NC2=CC=CC=C2C=C1 23493 [0,0,0,1,0,0|1,0,0]=2 87 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 28940 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 36052 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 5819 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 9416 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 2277 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.57 [C-]#[N+]C1=CC2=CC=CC=C2C=C1 29045 [0,0,0,1,0,0|2,0,1]=4 93 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [0,0,0,0,1,0|1,0,2]=4 94 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,0,0,0,1,0|1,0,1]=3 97 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,0,0,0,1,0|1,0,1]=3 98 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,0,0,0,1,0|1,0,1]=3 99 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,0,0,0,1,0|2,0,1]=4 100 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [2,0,0,0,0,0|0,0,0]=2 103 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [1,1,0,0,0,0|0,0,2]=4 104 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [1,1,0,0,0,0|0,0,0]=2 105 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [1,1,0,0,0,0|0,0,2]=4 106 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 28158 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [1,1,0,0,0,0|0,0,2]=4 109 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [1,1,0,0,0,0|0,0,2]=4 110 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 34882 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [1,1,0,0,0,0|0,0,2]=4 120 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [1,1,0,0,0,0|0,0,2]=4 121 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [1,1,0,0,0,0|0,0,2]=4 122 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [1,1,0,0,0,0|0,0,2]=4 123 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [1,1,0,0,0,0|0,0,2]=4 124 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [1,1,0,0,0,0|0,0,2]=4 125 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [1,1,0,0,0,0|0,0,2]=4 126 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [1,1,0,0,0,0|0,0,2]=4 131 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [1,1,0,0,0,0|0,0,2]=4 132 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [1,1,0,0,0,0|0,0,2]=4 133 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [1,1,0,0,0,0|0,0,2]=4 134 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [1,1,0,0,0,0|0,0,2]=4 135 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [1,1,0,0,0,0|0,0,2]=4 136 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [1,1,0,0,0,0|0,0,2]=4 137 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [1,1,0,0,0,0|0,0,0]=2 138 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [1,1,0,0,0,0|0,0,2]=4 140 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [1,1,0,0,0,0|0,0,2]=4 141 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [1,1,0,0,0,0|0,0,0]=2 144 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [1,1,0,0,0,0|0,0,0]=2 145 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [1,1,0,0,0,0|0,0,0]=2 146 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [1,1,0,0,0,0|0,0,0]=2 147 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [1,1,0,0,0,0|0,0,2]=4 148 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [1,1,0,0,0,0|0,0,2]=4 149 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [1,1,0,0,0,0|0,0,2]=4 150 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [1,1,0,0,0,0|0,0,2]=4 151 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [1,1,0,0,0,0|0,0,0]=2 153 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [1,1,0,0,0,0|0,0,0]=2 154 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [1,1,0,0,0,0|0,0,0]=2 155 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [1,1,0,0,0,0|0,0,0]=2 156 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 34709 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 18772 [0,1,0,0,1,0|1,0,1]=4 159 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 5573 [0,1,0,0,1,0|1,0,1]=4 160 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [0,1,0,0,1,0|0,0,0]=2 161 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 19449 [0,1,0,0,1,0|1,0,1]=4 162 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,1,0,0,1,0|0,0,1]=3 163 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,1,0,0,1,0|0,0,1]=3 164 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,1,0,0,1,0|0,0,1]=3 165 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,1,0,0,1,0|0,0,1]=3 166 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,1,0,0,1,0|0,0,1]=3 167 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,1,0,0,1,0|0,0,1]=3 168 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [0,1,0,0,1,0|1,0,1]=4 169 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,1,0,0,1,0|0,0,1]=3 171 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,1,0,0,1,0|0,0,1]=3 172 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,1,0,0,1,0|0,0,1]=3 173 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,1,0,0,1,0|0,0,1]=3 174 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,1,0,0,1,0|0,0,1]=3 175 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,1,0,0,1,0|0,0,1]=3 176 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,1,0,0,1,0|0,0,1]=3 177 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 25850 [0,1,0,0,1,0|1,0,1]=4 178 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,1,0,0,1,0|0,0,1]=3 179 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31807 [0,1,0,0,0,1|0,0,2]=4 180 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31821 [0,1,0,0,0,1|0,0,2]=4 181 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 28193 [0,1,0,0,0,1|0,0,1]=3 182 B14R1.163 COC(=O)\C=C\C(=O)C1=CC=CC=C1 12875 [0,1,0,0,0,1|0,0,0]=2 183 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 10952 [0,1,0,0,0,1|0,0,2]=4 184 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 25420 [0,1,0,0,0,1|0,0,2]=4 185 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 28888 [0,2,0,0,0,0|0,0,1]=3 186 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 16721 [0,2,0,0,0,0|0,0,1]=3 187 B14R1.11 COC(=O)CC(=O)C1=CC(Br)=CN=C1 23602 [0,2,0,0,0,0|1,0,1]=4 188 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 20129 [0,2,0,0,0,0|0,0,1]=3 189 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 11088 [0,2,0,0,0,0|1,0,1]=4 190 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 13894 [0,2,0,0,0,0|0,0,2]=4 191 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 13851 [0,2,0,0,0,0|0,0,2]=4 192 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 13852 [0,2,0,0,0,0|0,0,2]=4 193 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 23251 [0,2,0,0,0,0|0,0,2]=4 194 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 31859 [0,2,0,0,0,0|0,0,0]=2 195 B14R1.587 COC(=O)CC(=O)C1=C(Cl)C=CC=C1 28887 [0,2,0,0,0,0|0,0,1]=3 196 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 8191 [0,2,0,0,0,0|0,0,0]=2 197 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10889 [0,2,0,0,0,0|0,0,2]=4 198 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10902 [0,2,0,0,0,0|0,0,2]=4 199 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 10891 [0,2,0,0,0,0|0,0,2]=4 200 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 19257 [0,2,0,0,0,0|0,0,2]=4 201 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 12614 [0,2,0,0,0,0|0,0,2]=4 202 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [0,2,0,0,0,0|0,0,2]=4 203 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [0,2,0,0,0,0|0,0,2]=4 204 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 8180 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 8172 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)N=C1 26764 [0,2,0,0,0,0|1,0,0]=3 207 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 8158 [0,2,0,0,0,0|0,0,0]=2 208 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 26763 [0,2,0,0,0,0|1,0,0]=3 209 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 22847 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.32 CCOC(=O)\C=C\C1=CC(Cl)=NC=C1 16688 [0,2,0,0,0,0|1,0,0]=3 211 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 13751 [0,2,0,0,0,0|0,0,0]=2 212 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [0,2,0,0,0,0|0,0,2]=4 213 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 34170 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 16216 [0,2,0,0,0,0|0,0,0]=2 215 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1Cl 16540 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 35564 [0,0,1,1,0,0|0,0,2]=4 217 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 13627 [0,0,1,1,0,0|1,0,1]=4 218 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 30507 [0,0,1,1,0,0|1,0,0]=3 219 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 12369 [0,0,1,1,0,0|1,0,1]=4 220 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 20353 [0,0,1,1,0,0|1,0,1]=4 221 B12R1.77 COC(=O)c1ccccc1C#N 24574 [0,0,1,1,0,0|1,0,1]=4 222 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 3972 [0,0,1,1,0,0|2,0,0]=4 223 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 30710 [0,0,1,1,0,0|1,0,1]=4 224 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 11238 [0,0,1,1,0,0|2,0,0]=4 225 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 28559 [0,0,1,1,0,0|2,0,0]=4 226 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 29426 [0,0,1,1,0,0|2,0,0]=4 227 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 10936 [0,0,1,1,0,0|1,0,1]=4 228 B12R1.354 COC(=O)C1=C(C)C=CC(Cl)=C1 30530 [0,0,1,1,0,0|1,0,1]=4 229 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 28656 [0,0,1,1,0,0|1,0,1]=4 230 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 28677 [0,0,1,1,0,0|1,0,1]=4 231 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 28670 [0,0,1,1,0,0|1,0,1]=4 232 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 28547 [0,0,1,1,0,0|2,0,0]=4 233 B12R1.354 COC(=O)C1=C(Cl)C=CC(C)=C1 30581 [0,0,1,1,0,0|1,0,1]=4 234 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 3714 [0,0,1,1,0,0|2,0,0]=4 235 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 30711 [0,0,1,1,0,0|2,0,0]=4 236 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 28565 [0,0,1,1,0,0|2,0,0]=4 237 B12R1.354 COC(=O)C1=C(F)C=CC(I)=C1 28645 [0,0,1,1,0,0|2,0,0]=4 238 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 28640 [0,0,1,1,0,0|2,0,0]=4 239 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 26364 [0,0,1,1,0,0|2,0,0]=4 240 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 3344 [0,0,1,1,0,0|2,0,0]=4 241 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 3346 [0,0,1,1,0,0|2,0,0]=4 242 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 3558 [0,0,1,1,0,0|2,0,0]=4 243 B12R1.354 COC(=O)C1=C(N)C=CC(I)=C1 3354 [0,0,1,1,0,0|2,0,0]=4 244 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 19740 [0,0,1,1,0,0|2,0,0]=4 245 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 30490 [0,0,1,1,0,0|2,0,0]=4 246 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 4087 [0,0,1,1,0,0|2,0,0]=4 247 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 26394 [0,0,1,1,0,0|2,0,0]=4 248 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 44763 [0,0,1,1,0,0|0,0,2]=4 249 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 21088 [0,0,1,1,0,0|1,0,1]=4 250 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 12631 [0,0,1,1,0,0|1,0,0]=3 251 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 17417 [0,0,1,1,0,0|1,0,1]=4 252 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 30509 [0,0,1,1,0,0|1,0,1]=4 253 B12R1.435 COC(=O)C1=CC(CCl)=CC=C1 19902 [0,0,1,1,0,0|1,0,1]=4 254 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 11178 [0,0,1,1,0,0|1,0,1]=4 255 B12R1.435 COC(=O)c1cccc(SCl)c1 28889 [0,0,1,1,0,0|2,0,0]=4 256 B12R2.1 CON1C=NC2=C1C=CC=C2 8055 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 34736 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 19994 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 10422 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [1,0,0,1,0,0|1,0,1]=4 261 B12R2.1081 Brc1cccc2ccccc12 36195 [1,0,0,1,0,0|2,0,0]=4 262 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 5806 [1,0,0,1,0,0|2,0,0]=4 263 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [1,0,0,1,0,0|2,0,0]=4 264 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [1,0,0,1,0,0|2,0,0]=4 265 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [1,0,0,1,0,0|2,0,0]=4 266 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [1,0,0,1,0,0|2,0,0]=4 267 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [1,0,0,1,0,0|2,0,0]=4 268 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [1,0,0,1,0,0|2,0,0]=4 269 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [1,0,0,1,0,0|1,0,1]=4 270 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [1,0,0,1,0,0|2,0,0]=4 271 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [1,0,0,1,0,0|2,0,0]=4 272 B12R2.24 CC1=CC=C2C=CC=NC2=C1 5811 [1,0,0,1,0,0|2,0,0]=4 273 B12R2.24 CC1=CC=C2C=NC=CC2=C1 6210 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.24 CC1=CC=C2N=CC=CC2=C1 5807 [1,0,0,1,0,0|2,0,0]=4 275 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [1,0,0,1,0,0|1,0,0]=3 276 B12R2.24 CC1=NC2=NC=CC=C2C=C1 13904 [1,0,0,1,0,0|2,0,0]=4 277 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [1,0,0,1,0,0|1,0,1]=4 278 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [1,0,0,1,0,0|1,0,1]=4 280 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [1,0,0,1,0,0|2,0,0]=4 281 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [1,0,0,1,0,0|1,0,1]=4 282 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [1,0,0,1,0,0|2,0,0]=4 283 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [1,0,0,1,0,0|0,0,0]=2 284 B12R2.24 O=C1C=CC2=CC=NC=C2N1 25763 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.24 O=C1C=CC2=CN=CC=C2N1 27583 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [1,0,0,1,0,0|1,0,1]=4 287 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [1,0,0,1,0,0|0,0,2]=4 288 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [1,0,0,1,0,0|1,0,1]=4 289 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [1,0,0,1,0,0|2,0,0]=4 290 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [1,0,0,1,0,0|2,0,0]=4 292 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [1,0,0,1,0,0|2,0,0]=4 293 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [1,0,0,1,0,0|2,0,0]=4 294 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [1,0,0,1,0,0|2,0,0]=4 295 B12R2.24 OC1=NC2=CC=CN=C2C=C1 27746 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [1,0,0,1,0,0|0,1,1]=4 297 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [0,0,0,1,1,0|2,0,0]=4 298 B12R2.44 COC1=CC2=C(C=CS2)C=C1 27294 [0,0,0,1,1,0|2,0,0]=4 299 B12R2.44 COC1=CC=C2C=CNC2=C1 1701 [0,0,0,1,1,0|2,0,0]=4 300 B12R2.44 COC1=CC=C2C=CNC2=N1 19344 [0,0,0,1,1,0|2,0,0]=4 301 B12R2.44 COC1=CC=C2NC=CC2=C1 7432 [0,0,0,1,1,0|2,0,0]=4 302 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,1,1,0|2,0,0]=4 303 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,0,0,1,1,0|2,0,0]=4 304 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,1,0|2,0,0]=4 305 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [0,0,0,1,1,0|2,0,0]=4 306 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 6915 [0,0,0,1,0,1|0,0,2]=4 307 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 6916 [0,0,0,1,0,1|0,0,2]=4 308 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 18052 [0,0,0,1,0,1|0,0,2]=4 309 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 24857 [0,0,0,1,0,1|0,0,2]=4 310 B14R2.95 COC(=O)C1=C2C=CC=CN2C=C1 23213 [0,0,0,1,0,1|1,0,0]=3 311 B14R2.95 COC(=O)C1=CC=C2N=CC=CN21 20670 [0,0,0,1,0,1|2,0,0]=4 312 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 7506 [0,0,0,1,0,1|0,0,0]=2 313 B14R2.95 COC(=O)C1=CNC2=CC=CN=C21 20921 [0,0,0,1,0,1|1,0,0]=3 314 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 20643 [0,0,0,1,0,1|1,0,0]=3 315 B14R2.95 COC(=O)C1=CSC2=CC=CN=C21 20937 [0,0,0,1,0,1|1,0,0]=3 316 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 11863 [0,0,0,1,0,1|1,0,0]=3 317 B14R2.95 NNC(=O)C1=CNC2=CC=CC=C21 34858 [0,0,0,1,0,1|2,0,0]=4 318 B14R2.95 O=C(CBr)c1coc2ccccc12 7014 [0,0,0,1,0,1|2,0,0]=4 319 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 27143 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.1019 COC1=CC(N)=C2N=CC=CC2=C1 7568 [0,1,0,1,0,0|2,0,0]=4 321 B14R2.1019 COC1=CC(O)=C2N=CC=CC2=C1 2082 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.7724 CC1=CC(=O)N(C)C2=CC=CC=C12 24838 [0,1,0,1,0,0|1,0,0]=3 323 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 12885 [0,1,0,1,0,0|2,0,0]=4 324 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 15541 [0,1,0,1,0,0|2,0,0]=4 325 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 16354 [0,1,0,1,0,0|1,0,0]=3 326 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 8308 [0,1,0,1,0,0|2,0,0]=4 327 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 13808 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.142 COC1=CC=C2N=CC=C(O)C2=C1 8307 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 21576 [0,1,0,1,0,0|2,0,0]=4 330 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 29076 [0,1,0,1,0,0|1,0,0]=3 331 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 18327 [0,1,0,1,0,0|2,0,0]=4 332 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 18409 [0,1,0,1,0,0|2,0,0]=4 333 B14R2.2332 COC1=CC=C2C=C(O)C=CC2=C1 2282 [0,1,0,1,0,0|1,0,0]=3 334 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 5910 [0,1,0,1,0,0|2,0,0]=4 335 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 33701 [0,1,0,1,0,0|1,0,0]=3 336 B14R2.112 OCCC1=CC2=CC=CC=C2C=C1 25691 [0,1,0,1,0,0|2,0,0]=4 337 B14R2.112 OCCc1ccc2ccccc2c1 9427 [0,1,0,1,0,0|2,0,0]=4 338 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 26369 [0,1,0,1,0,0|0,0,1]=3 339 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 7284 [0,1,0,1,0,0|0,0,0]=2 340 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 25119 [0,1,0,1,0,0|1,0,0]=3 341 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 20927 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 20835 [0,1,0,1,0,0|1,0,0]=3 343 B14R2.972 COC(=O)C1=CN2C=CC=CC2=N1 17885 [0,1,0,1,0,0|1,0,0]=3 344 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 23451 [0,1,0,1,0,0|1,0,0]=3 345 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 19291 [0,1,0,1,0,0|1,0,0]=3 346 B14R2.972 O=C(CBr)C1=CC2=C(C=CC=C2)O1 7013 [0,1,0,1,0,0|2,0,0]=4 347 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)O1 12304 [0,1,0,1,0,0|2,0,0]=4 348 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)S1 12306 [0,1,0,1,0,0|2,0,0]=4 349 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 9428 [0,1,0,1,0,0|2,0,0]=4 350 B14R2.92 COC1=CC=C2C=CN=CC2=C1Br 34748 [0,1,0,1,0,0|2,0,0]=4 351 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 36188 [0,1,0,1,0,0|2,0,0]=4 352 B14R2.256 CC1=CC(C2=C(Cl)C=CC=C2)=NO1 8708 [0,1,0,1,0,0|2,0,0]=4 353 B14R2.256 NC1=CC(C2=C(Cl)C=CC=C2)=NO1 15542 [0,1,0,1,0,0|2,0,0]=4 354 B14R2.1801 COC1=CC=C2C(=C1)C=CC=[N+]2C 26047 [0,1,0,1,0,0|2,0,0]=4 355 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 13236 [0,1,0,1,0,0|2,0,0]=4 356 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 13232 [0,1,0,1,0,0|2,0,0]=4 357 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 13229 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,1,0|1,0,1]=4 359 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,1,0|1,0,1]=4 360 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,1,0|1,0,0]=3 361 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,1,0|1,0,1]=4 362 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,0,0,1,0|1,0,1]=4 363 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,0,0,1,0|1,0,1]=4 364 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,0,0,1,0|1,0,1]=4 365 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,1,0|0,0,2]=4 366 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,1,0|0,1,1]=4 367 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [1,0,0,0,1,0|1,0,0]=3 368 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [1,0,0,0,1,0|1,0,0]=3 369 B10R1.66 O=C(O)\C=C\C1=CNC=N1 9875 [1,0,0,0,1,0|2,0,0]=4 370 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,0,0,2,0|1,0,1]=4 371 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,0,0,0,2,0|2,0,0]=4 372 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,2,0|1,0,0]=3 373 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [0,0,0,0,2,0|1,0,0]=3 374 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,0,0,0,2,0|1,0,0]=3 375 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [0,0,0,0,2,0|2,0,0]=4 376 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,0,0,0,2,0|1,0,0]=3 377 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,0,0,0,2,0|2,0,0]=4 378 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,0,0,0,2,0|2,0,0]=4 379 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,0,0,0,2,0|2,0,0]=4 380 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,0,0,2,0|2,0,0]=4 381 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,0,0,2,0|2,0,0]=4 382 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,0,0,2,0|2,0,0]=4 383 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,2,0|2,0,0]=4 384 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,0,0,2,0|2,0,0]=4 385 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,0,0,2,0|2,0,0]=4 386 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,0,0,2,0|2,0,0]=4 387 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,0,0,2,0|2,0,0]=4