0 B13R2.1613 BrCC1=C2C=CC=CC2=CC=N1 AC-83677 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.1613 C#CC1=C2C=CC=CC2=CC=N1 AC-79979 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 AC-21093 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.1613 COC1=C2C=CC=CC2=CN=C1 AC-30259 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.1613 ClCC1=C2C=CC=CC2=CC=C1 AC-37638 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 ClCC1=C2C=CC=CC2=CC=N1 AC-87176 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.1613 ClCC1=C2C=CC=CC2=CC=N1 AC-89991 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.1613 NCC1=C2C=CC=CC2=CC=C1 AC-21146 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.1613 NCC1=C2C=CC=CC2=CC=N1 AC-80873 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.1613 NCC1=C2C=CC=CC2=CC=N1 AC-85949 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.1613 NCC1=C2C=CC=CC2=CC=N1 AC-86572 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.1613 NCC1=C2C=CC=CC2=NC=C1 AC-79382 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.1613 NCC1=C2C=CC=CC2=NC=C1 AC-83973 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.1613 NCC1=C2C=NC=CC2=CC=C1 AC-75570 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.1613 NCC1=CC=CC2=C1C=CC=N2 AC-24650 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.1613 NCC1=CC=CC2=C1C=CC=N2 AC-89044 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.1613 NCC1=CC=CC2=C1C=CN=C2 AC-51501 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.1613 NCC1=CC=CC2=C1C=CN=C2 AC-75564 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.1613 NNC1=C2C=CC=CC2=CC=C1 AC-56215 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.1613 NNC1=C2C=CC=CC2=CC=C1 AC-64481 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.1613 O=CC1=C2C=CC=CC2=CN=C1 AC-30071 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 AC-23830 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.1613 OCC1=C2C=CC=CC2=CC=N1 AC-75561 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 AC-76865 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 BrC1=C2C=CC=CC2=CC=N1 AC-11356 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.1081 BrC1=C2C=CC=CC2=NC=N1 AC-25516 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 BrC1=C2C=CN=CC2=CC=N1 AC-80078 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 BrC1=NC=CC2=C1C=CC=N2 AC-95617 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 CC1=NCCC2=C1C=CC=C2 AC-79916 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.1081 ClC1=C2C=NC=CC2=CC=N1 AC-26327 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1081 ClC1=C2N=CC=CC2=CC=N1 AC-79572 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 ClC1=NC=CC2=C1C=CC=N2 AC-35424 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 AC-12197 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 IC1=C2C=CC=CC2=CC=C1 AC-13364 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 AC-24589 [1,0,0,0,0,0|1,0,0]=2 35 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 AC-16426 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 AC-11324 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 AC-81977 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.1081 NC1=NC=NC2=CC=NC=C21 AC-91675 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.1081 NC1=NC=NC2=NC=CC=C12 AC-86108 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 AC-77424 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 AC-23832 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.1081 OC1=C2C=CC=CC2=CC=N1 AC-14080 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 AC-39959 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.1081 OC1=C2N=CC=CC2=CC=N1 AC-39967 [1,0,0,0,0,0|3,0,0]=4 45 B14R2.203 N#CC1=C(Cl)N=CC2=CC=CC=C21 AC-81014 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.203 O=CC1=C(Cl)N=CC2=CC=CC=C21 AC-79668 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.1073 NCC1=C2C=CC(Br)=CC2=CC=N1 AC-93055 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.1131 COC1=C2C=CC=CC2=C(Br)C=N1 AC-77325 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.1131 COC1=C2C=CC=CC2=C(Cl)C=N1 AC-86243 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1131 COC1=C2C=CC=CC2=C(Cl)N=C1 AC-81972 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.1131 N#CC1=C2C=CC=CC2=C(Br)C=N1 AC-90868 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.1131 N#CC1=C2C=CC=CC2=C(Cl)N=C1 AC-75882 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 AC-10669 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 AC-14864 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.11635 COC1=C2C(Br)=CC=CC2=CC=N1 AC-88190 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.11635 N#CC1=C2C(Cl)=CC=CC2=CC=N1 AC-88424 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CN=C1 AC-75760 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=N1 AC-85847 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CN=C1 AC-30076 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.31359 OB(O)C1=C2C=CC=CC2=CN=C1 AC-21283 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.31359 OB(O)C1=C2C=CC=CC2=CN=C1 AC-75306 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.77 N#CC1=CC=CC=C1C(=O)NN AC-80809 [0,0,1,0,0,0|1,0,2]=4 63 B12R2.1 N#CC1=NNC2=C1C=CC=C2 AC-29840 [0,0,0,0,1,0|1,0,2]=4 64 B12R2.1 NCC1=CN=C2C=CC=CN12 AC-83763 [0,0,0,0,1,0|3,0,0]=4 65 B12R2.1 NCC1=CNC2=C1C=CC=C2 AC-85126 [0,0,0,0,1,0|2,0,1]=4 66 B12R2.1 NCC1=CSC2=CC=CC=C12 AC-87902 [0,0,0,0,1,0|3,0,0]=4 67 B12R2.1 NCC1=NN=C2C=CC=CN21 AC-44563 [0,0,0,0,1,0|2,0,0]=3 68 B12R2.1 NCC1=NNC2=C1C=CC=C2 AC-81017 [0,0,0,0,1,0|1,0,1]=3 69 B12R2.1 NCC1=NOC2=CC=CC=C21 AC-83337 [0,0,0,0,1,0|2,0,0]=3 70 B12R2.1 O=CC1=C2C=CC=CN2C=N1 AC-29803 [0,0,0,0,1,0|3,0,0]=4 71 B12R2.1 O=CC1=NC=C2C=CC=CN21 AC-29804 [0,0,0,0,1,0|3,0,0]=4 72 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AC-39460 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AC-65334 [0,0,0,0,1,0|2,0,1]=4 74 B12R2.1 OCC1=NOC2=CC=CC=C21 AC-87738 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.222 NC1=CC=CC=C1\C(N)=N\O AC-22486 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.222 NNC(=O)C1=CC=CC=C1Cl AC-19294 [1,0,1,0,0,0|2,0,0]=4 77 B11R2.20 C1=CC2=CC=NC=C2C=C1 AC-74175 [2,0,0,0,0,0|1,0,0]=3 78 B11R2.20 C1=CC2=CC=NN=C2C=C1 AC-80878 [2,0,0,0,0,0|2,0,0]=4 79 B11R2.20 C1=CC2=CC=NN=C2C=C1 AC-81439 [2,0,0,0,0,0|2,0,0]=4 80 B11R2.20 C1=CC2=CN=CC=C2C=N1 AC-76213 [2,0,0,0,0,0|2,0,0]=4 81 B11R2.20 C1=CC2=CN=CN=C2C=C1 AC-24044 [2,0,0,0,0,0|2,0,0]=4 82 B13R1.382 CCOC1=CC=CC=C1C(=N)NN AC-82529 [0,1,1,0,0,0|1,0,1]=4 83 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 AC-80344 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 AC-83965 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 AC-76695 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.32 NC1=CC=C2C=CC=CC2=C1N AC-21407 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=N1 AC-87928 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.162 CC1=CC2=C(Cl)N=CC=C2C=C1 AC-81360 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.162 ClC1=C2C=C(Br)C=CC2=CN=N1 AC-86404 [1,1,0,0,0,0|1,0,0]=3 90 B13R2.162 ClC1=CC2=C(Br)N=CC=C2C=C1 AC-75863 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.162 FC1=CC2=C(Br)N=CC=C2C=C1 AC-75864 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.162 FC1=CC2=C(Cl)N=CC=C2C=C1 AC-75873 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.162 FC1=CC2=C(Cl)N=NC=C2C=C1 AC-86194 [1,1,0,0,0,0|1,0,0]=3 94 B13R2.162 NC1=C2C=C(Br)C=CC2=CC=N1 AC-33310 [1,1,0,0,0,0|1,0,0]=3 95 B13R2.162 NC1=C2C=C(Cl)C=CC2=CC=N1 AC-91181 [1,1,0,0,0,0|1,0,0]=3 96 B13R2.162 NC1=C2C=C(Cl)C=CC2=NC=N1 AC-58193 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.162 OC1=C2C=C(Br)C=CC2=CC=N1 AC-45401 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.162 OC1=CC2=C(Cl)N=CC=C2C=C1 AC-75878 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.328 CC1=CC(N)=C2C=CC=CC2=C1 AC-86621 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.328 NC1=C2C=CC=CC2=NC(Cl)=N1 AC-26846 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.328 NC1=NC(Br)=C2C=CC=CC2=C1 AC-22521 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.328 NC1=NC(N)=C2C=CC=CC2=N1 AC-22973 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.342 ClC1=C2C=CC=C(Br)C2=CC=N1 AC-91731 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.342 ClC1=CC=CC2=C(Br)N=CC=C12 AC-75860 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.342 NC1=C2C=CC=C(Br)C2=CC=C1 AC-24314 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.342 NC1=C2C=CC=C(Cl)C2=CC=C1 AC-26319 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.342 NC1=CC=CC2=C(Cl)N=CC=C12 AC-24382 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.342 OC1=CC=CC2=C(Cl)N=CC=C12 AC-75875 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.342 OC1=CC=CC2=C(O)N=CC=C12 AC-85346 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.371 BrC1=C2C=CC=CC2=C(I)N=C1 AC-83051 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.371 ClC1=C2C=CC=CC2=C(Br)C=N1 AC-24795 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.371 ClC1=C2C=CC=CC2=C(Br)N=C1 AC-91036 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.371 ClC1=C2C=CC=CC2=C(Cl)N=C1 AC-27696 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.371 ClC1=C2C=CC=CC2=C(I)C=N1 AC-83127 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.371 ClC1=NN=C(Cl)C2=CN=CC=C21 AC-80303 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.371 ClC1=NN=C(Cl)C2=NC=CC=C12 AC-80630 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.371 NC1=C2C=CC=CC2=C(Br)C=C1 AC-16204 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 AC-91504 [1,1,0,0,0,0|1,0,1]=4 119 B13R2.371 O=C1NN=C(Cl)C2=C1C=CC=C2 AC-59214 [1,1,0,0,0,0|1,0,1]=4 120 B13R2.371 OC1=C2C=CC=CC2=C(Cl)N=C1 AC-26008 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.4818 CC1=C2C(Br)=CC=CC2=CN=C1 AC-89498 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.4818 CC1=CC=CC2=CC=CC(N)=C12 AC-86358 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.4818 ClC1=CC=CC2=CC=NC(Br)=C12 AC-75865 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.4818 NC1=C2C(Br)=CC=CC2=CC=N1 AC-83349 [1,1,0,0,0,0|1,0,0]=3 125 B13R2.4818 NC1=C2C(Br)=CC=CC2=NC=N1 AC-45839 [1,1,0,0,0,0|2,0,0]=4 126 B13R2.4818 NC1=CC=CC2=CC=CC(N)=C12 AC-27359 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.4818 NC1=CC=CC2=CC=NC(Cl)=C12 AC-75880 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.4818 NC1=CC=CC2=CN=CC(Br)=C12 AC-86152 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.4818 OC1=CC=CC2=CC=NC(Cl)=C12 AC-75881 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.5179 CC1=C2C=CC(N)=CC2=CC=N1 AC-75974 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.5179 CC1=CC2=CC=NC(Cl)=C2C=C1 AC-75872 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=N1 AC-24794 [1,1,0,0,0,0|2,0,0]=4 133 B13R2.5179 ClC1=CC2=CC=NC(Br)=C2C=C1 AC-75862 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.5179 ClC1=CC2=CC=NC(Cl)=C2C=C1 AC-75832 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=N1 AC-33755 [1,1,0,0,0,0|1,0,0]=3 136 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=N1 AC-79936 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.5179 NC1=CC2=CC=NC(Cl)=C2C=C1 AC-75876 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.5179 O=C1NN=CC2=C1C=CC(Br)=C2 AC-25460 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.5179 OC1=CC2=CC=NC(Cl)=C2C=C1 AC-75877 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 AC-71442 [0,1,0,0,1,0|1,0,1]=4 141 B11R2.1 BrC1=C2C=CC=CN2C=N1 AC-79462 [1,0,0,0,1,0|2,0,0]=4 142 B11R2.1 BrC1=NC=C2C=CC=CN21 AC-80842 [1,0,0,0,1,0|2,0,0]=4 143 B11R2.1 BrC1=NNC2=C1C=CC=C2 AC-25060 [1,0,0,0,1,0|1,0,1]=4 144 B11R2.1 CC1=NN=C2C=CC=CN12 AC-93460 [1,0,0,0,1,0|2,0,0]=4 145 B11R2.1 CC1=NNC2=C1C=CC=C2 AC-31044 [1,0,0,0,1,0|1,0,1]=4 146 B11R2.1 CN1N=CC2=C1C=CC=C2 AC-43239 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 ClC1=NC=C2C=CC=CN21 AC-88742 [1,0,0,0,1,0|2,0,0]=4 148 B11R2.1 ClC1=NNC2=C1C=CC=C2 AC-61426 [1,0,0,0,1,0|1,0,1]=4 149 B11R2.1 ClC1=NOC2=C1C=CC=C2 AC-16985 [1,0,0,0,1,0|2,0,0]=4 150 B11R2.1 ClC1=NSC2=CC=CC=C21 AC-14541 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.1 IC1=NN=C2C=CC=CN12 AC-88221 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.1 NC1=C2C=CC=CN2N=C1 AC-94297 [1,0,0,0,1,0|2,0,0]=4 153 B11R2.1 NC1=C2C=CC=NC2=NS1 AC-83988 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.1 NC1=C2N=CC=CC2=NS1 AC-92419 [1,0,0,0,1,0|2,0,0]=4 155 B11R2.1 NC1=CN=C2C=CC=CN12 AC-86599 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.1 NC1=CSC2=CC=CC=C12 AC-80787 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.1 NC1=NNC2=C1C=CC=C2 AC-29846 [1,0,0,0,1,0|0,0,1]=3 158 B11R2.1 NC1=NNC2=C1C=CN=C2 AC-75923 [1,0,0,0,1,0|1,0,1]=4 159 B11R2.1 NC1=NNC2=C1N=CC=C2 AC-75926 [1,0,0,0,1,0|1,0,1]=4 160 B11R2.1 NC1=NOC2=C1C=CC=C2 AC-16026 [1,0,0,0,1,0|1,0,0]=3 161 B11R2.1 NN1N=CC2=C1C=CC=C2 AC-93413 [1,0,0,0,1,0|1,0,0]=3 162 B11R2.1 OC1=NNC2=C1C=CC=C2 AC-73906 [1,0,0,0,1,0|1,0,1]=4 163 B11R2.1 ON1N=NC2=CC=CC=C21 AC-16694 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.1 ON1N=NC2=CC=CC=C21 AC-65635 [1,0,0,0,1,0|2,0,0]=4 165 B11R2.1 SC1=NN=C2C=CC=CN12 AC-56445 [1,0,0,0,1,0|2,0,0]=4 166 B11R2.106 ClC1=NN=CC2=C1C=CN2 AC-84878 [1,0,0,0,1,0|2,0,0]=4 167 B11R2.106 NC1=NC=CC2=C1C=CN2 AC-93765 [1,0,0,0,1,0|2,0,0]=4