0 B7R1.3 BrC1=CC=CN=C1 27044 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 BrC1=CC=CN=C1 29560 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 BrC1=CC=NC=C1 28252 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 BrC1=NC=CC=C1 30363 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 CC1=CC=CC=C1 01740 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 CC1=CC=CC=C1 30234 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1=CC=CN=C1 27052 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CC1=CC=NC=C1 29179 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 CC1=NC=CC=C1 27038 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 CC1=NC=CN=C1 31194 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.3 ClC1=CC=CN=C1 27046 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 ClC1=CC=NC=C1 27337 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 ClC1=NC=CC=C1 32073 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 ClC1=NC=CC=N1 26977 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.3 ClC1=NN=CC=C1 26208 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.3 FC1=CC=CN=C1 27045 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 FC1=NC=CC=C1 27001 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 IC1=CC=CC=N1 30769 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 IC1=CC=CN=C1 22280 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 NC1=CC=NC=C1 27983 [0,0,0,0,0,0|0,0,0]=0 20 B7R1.3 NC1=CC=NN=C1 20858 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.3 NC1=CN=CN=C1 19494 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 NC1=NC=CC=C1 27027 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 NC1=NC=CN=C1 24511 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 O=C1C=CCCC1 31546 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 O=C1C=CNC=N1 27537 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.3 OC1=CC=CN=C1 02324 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 OC1=NC=CC=C1 02323 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 OC1=NC=CC=N1 28592 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.3 SC1=NC=CC=C1 12993 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 SC1=NC=CC=N1 26978 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.3 [O-][N+]1=CC=CC=C1 26988 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.1 C1=CC=NC=C1 00762 [1,0,0,0,0,0|0,0,0]=1 34 B6R1.1 C1=CC=NC=C1 02006 [1,0,0,0,0,0|0,0,0]=1 35 B6R1.1 C1=CC=NC=C1 14289 [1,0,0,0,0,0|0,0,0]=1 36 B6R1.1 C1=CC=NC=C1 16894 [1,0,0,0,0,0|0,0,0]=1 37 B6R1.1 C1=CC=NC=C1 27333 [1,0,0,0,0,0|0,0,0]=1 38 B6R1.1 C1=CC=NC=C1 29993 [1,0,0,0,0,0|0,0,0]=1 39 B6R1.1 C1=NC=NC=N1 31505 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 BrCC1=CC=CC=C1 00332 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 C#CC1=CC=CC=C1 24540 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 CC[N+]1=CC=CC=C1 31419 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.2 CNC1=CN=CC=C1 18208 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 COC1=CC=CC=C1 02045 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.2 COC1=CC=NC=C1 28387 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.2 COC1=NC=CC=C1 27017 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.2 ClCC1=CC=CN=C1 06928 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.2 ClCC1=CC=NC=C1 06929 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.2 ClCC1=NC=CC=C1 06927 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 N#CC1=CC=CC=C1 27352 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.2 N#CC1=CC=NC=C1 27057 [0,1,0,0,0,0|0,0,1]=2 52 B8R1.2 NCC1=CC=CC=C1 29916 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.2 NCC1=CC=CN=C1 27056 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.2 NCC1=CC=NC=C1 27066 [0,1,0,0,0,0|0,0,0]=1 55 B8R1.2 NCC1=CC=NC=C1 28201 [0,1,0,0,0,0|0,0,0]=1 56 B8R1.2 NCC1=CN=CC=N1 23715 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.2 NCC1=NC=CC=N1 18223 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.2 NCC1=NC=CC=N1 23716 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.2 NNC1=CC=CC=C1 02348 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.2 NNC1=CN=CC=N1 17541 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.2 NNC1=NC=CC=N1 25034 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.2 O=CC1=CC=NC=C1 07252 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.2 O=CC1=NC=CC=C1 02023 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.2 OCC1=CC=CC=C1 00371 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.2 OCC1=CC=CN=C1 27054 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.2 OCC1=CC=NC=C1 12966 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.3 BrC1=CC=C(Br)C=C1 26734 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.3 BrC1=CC=C(Br)C=C1 29550 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.3 BrC1=CC=C(I)N=C1 25762 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.3 BrC1=CN=C(Br)C=C1 24773 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.3 BrC1=NC=C(I)C=C1 25761 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.3 CC1=CC=C(F)C=C1 30018 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.3 CC1=CC=C(F)C=N1 31011 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.3 CC1=CC=C(N)C=N1 28425 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.3 CC1=CC=C(O)C=C1 02046 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.3 CC1=CC=C(S)N=C1 28655 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.3 CC1=CN=C(Br)C=C1 28196 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.3 CC1=CN=C(F)C=C1 29327 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.3 CC1=CN=C(N)C=C1 16973 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.3 CC1=CN=C(N)C=N1 20422 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.3 CC1=CN=C(O)C=C1 28671 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.3 CC1=NC=C(Br)C=C1 16976 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.3 CC1=NC=C(I)C=C1 29038 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.3 CC1=NC=C(O)C=C1 27039 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.3 ClC1=CC=C(Br)C=N1 28495 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.3 ClC1=CC=C(Br)N=C1 28243 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.3 ClC1=CC=C(Cl)C=C1 31165 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.3 ClC1=CC=C(I)C=N1 25903 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.3 ClC1=CC=C(I)N=C1 29018 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.3 ClC1=CN=C(Cl)C=C1 27007 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.3 ClC1=CN=C(Cl)C=C1 28912 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.3 FC1=CC=C(Br)C=C1 30412 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 FC1=CC=C(Br)N=C1 28247 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.3 FC1=CC=C(Cl)C=N1 28844 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.3 FC1=CN=C(Cl)C=C1 28720 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.3 FC1=NC=C(I)C=C1 28716 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.3 IC1=CC=C(I)C=C1 26770 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.3 IC1=CC=C(I)N=C1 28251 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.3 NC1=CC=C(Br)C=C1 29844 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.3 NC1=CC=C(Br)N=C1 28526 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.3 NC1=CC=C(F)N=C1 17046 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.3 NC1=CC=C(I)C=C1 27150 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.3 NC1=CC=C(I)C=N1 25748 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.3 NC1=CC=C(I)N=C1 25750 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 NC1=CC=C(O)C=N1 29569 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.3 NC1=CN=C(Br)C=N1 17087 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 NC1=CN=C(Cl)N=C1 26196 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.3 NC1=CN=C(N)C=C1 27586 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.3 NC1=CNC(=O)C=C1 29435 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.3 NC1=NC=C(Br)C=C1 27033 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 NC1=NC=C(F)C=N1 29344 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.3 NC1=NC=C(O)C=C1 17752 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.3 OC1=CC=C(Br)C=N1 25760 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.3 OC1=CC=C(F)C=C1 31762 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.3 OC1=CC=C(F)C=N1 29416 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.3 OC1=CN=C(Br)C=C1 28860 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.3 OC1=NC=C(I)C=C1 25749 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.4 BrC1=CC(Br)=NC=C1 28828 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.4 BrC1=CC=CC(Br)=C1 26732 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.4 BrC1=CN=CC(Br)=C1 27383 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.4 BrC1=CN=CC(I)=C1 28668 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.4 BrC1=NC(Br)=NC=C1 29002 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.4 BrC1=NC=CC(I)=C1 28666 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.4 CC1=CC(Br)=CC=N1 17038 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.4 CC1=CC(Br)=NC=C1 27873 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.4 CC1=CC(N)=CC=N1 28156 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.4 CC1=CC(O)=CC=C1 03571 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.4 CC1=CC(O)=CN=C1 28367 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.4 CC1=CC=CC(=O)N1 28328 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.4 CC1=CC=CC(Br)=N1 27580 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.4 CC1=CC=CC(C)=N1 00800 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.4 CC1=CC=CC(F)=C1 30020 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 CC1=CC=CC(F)=N1 27601 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.4 CC1=CC=CC(I)=C1 26769 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 CC1=CC=CC(N)=N1 27037 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.4 CC1=CC=NC(O)=C1 27954 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.4 CC1=CN=CC(Br)=C1 17060 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.4 CC1=CN=CC(C)=C1 27053 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.4 CC1=CN=CC(F)=C1 17150 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.4 CC1=CN=CC(N)=C1 17044 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 CC1=CN=CC(N)=C1 29247 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 CC1=CN=NC(=O)C1 26419 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.4 CC1=CN=NC(Cl)=C1 26294 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.4 ClC1=CC(Br)=CC=C1 30362 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.4 ClC1=CC(Br)=NC=C1 28806 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.4 ClC1=CC(Cl)=NC=C1 28447 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.4 ClC1=CC(Cl)=NC=N1 24509 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.4 ClC1=CC(Cl)=NN=C1 31470 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.4 ClC1=CC=CC(Br)=N1 28148 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.4 ClC1=CC=CC(Cl)=N1 27010 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.4 ClC1=CN=CC(Br)=C1 28866 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.4 ClC1=CN=CC(Cl)=C1 27047 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.4 ClC1=NC(Cl)=NC=C1 24507 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.4 ClC1=NC=CC(Br)=C1 28805 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.4 ClC1=NC=CC(I)=C1 28566 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.4 ClC1=NC=NC(Cl)=N1 26184 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.4 FC1=CC(Br)=NC=C1 26279 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.4 FC1=CC(I)=CC=N1 28675 [0,1,0,0,0,0|1,0,0]=2 170 B8R1.4 FC1=CC=CC(Br)=N1 28712 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.4 FC1=CN=CC(Br)=C1 28847 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.4 NC1=CC(Br)=CC=C1 27143 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.4 NC1=CC(Br)=CC=N1 17206 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [0,1,0,0,0,0|0,0,0]=1 175 B8R1.4 NC1=CC(F)=NC=C1 17653 [0,1,0,0,0,0|0,0,0]=1 176 B8R1.4 NC1=CC(O)=CN=C1 19077 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.4 NC1=CC=CC(Br)=N1 24610 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.4 NC1=CC=CC(Cl)=N1 28256 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 NC1=CC=CC(N)=C1 27147 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.4 NC1=CC=CC(N)=N1 27036 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.4 NC1=CC=NC(Br)=C1 28521 [0,1,0,0,0,0|0,0,0]=1 182 B8R1.4 NC1=CC=NC(O)=C1 18971 [0,1,0,0,0,0|0,0,0]=1 183 B8R1.4 NC1=CN=CC(Br)=C1 17002 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.4 NC1=CN=CC(Cl)=C1 17737 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.4 NC1=CN=CC(F)=C1 31748 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.4 NC1=NC(=O)NC=C1 00814 [0,1,0,0,0,0|1,0,1]=3 187 B8R1.4 NC1=NC(=O)NC=N1 21836 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.4 NC1=NC(Cl)=NC=C1 23191 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.4 NC1=NC(F)=CC=C1 17512 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.4 NC1=NC=CC(O)=C1 17441 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.4 O=C1C=C(Br)C=CN1 29326 [0,1,0,0,0,0|1,0,1]=3 194 B8R1.4 O=C1C=CNC(=O)N1 31792 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.4 O=C1C=CNC(=O)N1 33050 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.4 O=C1C=CNC(=S)N1 21934 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.4 OC1=CC(O)=NC=N1 27415 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.4 OC1=CC=CC(O)=C1 30180 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.4 OC1=CN=CC(Br)=C1 28369 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.4 OC1=NC(Cl)=CC=C1 28450 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.4 OC1=NC=CC(S)=N1 21484 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.4 S=C1C=CNC(=S)N1 21607 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 17678 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.5 BrC1=C(Br)C=CC=C1 26731 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.5 BrC1=C(Br)C=CC=C1 29549 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.5 BrC1=C(Br)N=CC=C1 28249 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.5 BrC1=C(I)C=CC=C1 26767 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.5 BrC1=CC=NC=C1Br 28250 [0,1,0,0,0,0|1,0,0]=2 210 B8R1.5 CC1=C(Br)C=CC=N1 17037 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.5 CC1=C(Br)N=CC=C1 28290 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.5 CC1=C(F)C=CC=C1 30019 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.5 CC1=C(F)C=NC=C1 28867 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.5 CC1=C(N)C=CC=N1 17034 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.5 CC1=CC=CN=C1F 27598 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.5 CC1=CC=CN=C1I 28830 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.5 CC1=CC=CN=C1N 27031 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.5 CC1=CC=CN=C1O 27920 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.5 CC1=CN=CC=C1Br 17700 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.5 CC1=CN=CC=C1Br 28527 [0,1,0,0,0,0|1,0,0]=2 223 B8R1.5 CC1=CN=CC=C1N 28541 [0,1,0,0,0,0|0,0,0]=1 224 B8R1.5 CC1=NC=CC=C1F 29136 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.5 CC1=NC=CC=C1I 29187 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.5 C[N+]1=C(Cl)C=CC=C1 04881 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.5 ClC1=C(Br)C=CC=C1 30431 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.5 ClC1=C(Br)C=CC=N1 28244 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.5 ClC1=C(Br)N=CC=C1 28827 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.5 ClC1=C(Cl)C=NC=C1 28567 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.5 ClC1=C(I)C=CC=N1 28368 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.5 ClC1=CC=CN=C1Cl 27002 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.5 ClC1=CC=NC=C1Br 28245 [0,1,0,0,0,0|1,0,0]=2 235 B8R1.5 ClC1=CN=CC=C1Br 24033 [0,1,0,0,0,0|1,0,0]=2 236 B8R1.5 FC1=C(Br)C=CC=C1 30361 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.5 FC1=C(Br)C=CC=N1 28839 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.5 FC1=CC=CN=C1Br 28855 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.5 FC1=CC=CN=C1Cl 28717 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.5 FC1=CC=NC=C1Cl 28887 [0,1,0,0,0,0|1,0,0]=2 241 B8R1.5 FC1=CN=CN=C1Cl 24027 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.5 FC1=NC=CC=C1Cl 28856 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.5 FC1=NC=CC=C1I 28713 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.5 NC1=C(Br)C=CC=C1 27130 [0,1,0,0,0,0|1,0,0]=2 245 B8R1.5 NC1=C(Br)N=CC=C1 17019 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.5 NC1=C(Cl)C=NC=C1 17261 [0,1,0,0,0,0|0,0,0]=1 248 B8R1.5 NC1=C(F)C=CC=C1 27132 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.5 NC1=C(I)C=CC=N1 28533 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.5 NC1=C(N)C=CC=C1 31478 [0,1,0,0,0,0|1,0,0]=2 251 B8R1.5 NC1=C(O)C=CN=C1 17149 [0,1,0,0,0,0|1,0,0]=2 252 B8R1.5 NC1=C(O)C=NC=C1 26270 [0,1,0,0,0,0|0,0,0]=1 253 B8R1.5 NC1=CC=CN=C1Cl 16971 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.5 NC1=CC=CN=C1F 17335 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.5 NC1=CC=CN=C1I 29050 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.5 NC1=CC=CN=C1N 24516 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.5 NC1=CC=CN=C1O 28734 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.5 NC1=CC=NC=C1Br 28582 [0,1,0,0,0,0|0,0,0]=1 259 B8R1.5 NC1=CC=NC=C1F 28257 [0,1,0,0,0,0|0,0,0]=1 260 B8R1.5 NC1=CN=CC=C1Br 18983 [0,1,0,0,0,0|1,0,0]=2 261 B8R1.5 NC1=CN=CC=C1Cl 17040 [0,1,0,0,0,0|1,0,0]=2 262 B8R1.5 NC1=CN=CC=C1I 17273 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.5 NC1=CN=CN=C1Cl 26197 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.5 NC1=CN=CN=C1O 26403 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.5 NC1=NC=CC=C1Br 28705 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.5 NC1=NC=CC=C1F 18902 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.5 NC1=NC=CC=C1O 16974 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.5 O=C1NC=CC=C1Cl 29245 [0,1,0,0,0,0|3,0,0]=4 269 B8R1.5 OC1=C(I)N=CC=C1 27478 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.5 OC1=C(O)C=CC=C1 00500 [0,1,0,0,0,0|2,0,0]=3 271 B8R1.5 OC1=CC=CN=C1Br 26999 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.5 OC1=CC=CN=C1Cl 27006 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.5 OC1=NC=CC=C1Br 28737 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 27938 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.5 [O-][N+]1=C(S)C=CC=C1 26989 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.5 [O-][N+]1=CC=CC=C1O 00785 [0,1,0,0,0,0|3,0,0]=4 277 B6R1.2 BrC1=CN=CS1 29062 [0,0,0,0,1,0|2,0,0]=3 278 B6R1.2 BrC1=CNC=N1 25039 [0,0,0,0,1,0|2,0,1]=4 279 B6R1.2 BrC1=CNN=C1 27841 [0,0,0,0,1,0|2,0,0]=3 280 B6R1.2 BrC1=COC=C1 26940 [0,0,0,0,1,0|2,0,0]=3 281 B6R1.2 BrC1=CON=C1 28611 [0,0,0,0,1,0|2,0,0]=3 282 B6R1.2 BrC1=CSC=N1 17481 [0,0,0,0,1,0|3,0,0]=4 283 B6R1.2 BrC1=CSN=C1 17479 [0,0,0,0,1,0|2,0,0]=3 284 B6R1.2 BrC1=NC=CN1 26153 [0,0,0,0,1,0|3,0,0]=4 285 B6R1.2 BrC1=NC=CS1 24492 [0,0,0,0,1,0|3,0,0]=4 286 B6R1.2 CC1=CSC=N1 26939 [0,0,0,0,1,0|3,0,0]=4 287 B6R1.2 CC1=NC=CN1 26928 [0,0,0,0,1,0|3,0,0]=4 288 B6R1.2 CN1C=CN=C1 00526 [0,0,0,0,1,0|2,0,0]=3 289 B6R1.2 IC1=CNC=N1 28518 [0,0,0,0,1,0|2,0,1]=4 290 B6R1.2 IC1=CNN=C1 26932 [0,0,0,0,1,0|2,0,0]=3 291 B6R1.2 IC1=NNC=C1 30713 [0,0,0,0,1,0|2,0,1]=4 292 B6R1.2 NC1=CC=CS1 28483 [0,0,0,0,1,0|1,0,0]=2 293 B6R1.2 NC1=CNN=C1 28540 [0,0,0,0,1,0|1,0,0]=2 294 B6R1.2 NC1=NC=CO1 29492 [0,0,0,0,1,0|2,0,0]=3 295 B6R1.2 NC1=NC=CS1 24494 [0,0,0,0,1,0|2,0,0]=3 296 B6R1.2 NC1=NN=NN1 28016 [0,0,0,0,1,0|3,0,0]=4 297 B6R1.2 NC1=NN=NN1 28335 [0,0,0,0,1,0|3,0,0]=4 298 B6R1.2 NC1=NNC=C1 24487 [0,0,0,0,1,0|1,0,1]=3 299 B6R1.2 NC1=NNC=N1 21858 [0,0,0,0,1,0|2,0,1]=4 300 B6R1.2 O=C1C=CCN1 18447 [0,0,0,0,1,0|2,0,1]=4 301 B6R1.2 SC1=NN=CS1 27573 [0,0,0,0,1,0|3,0,0]=4 302 B6R1.2 [Na]N1C=NC=N1 27640 [0,0,0,0,1,0|3,0,0]=4 303 B7R1.1 CCN1C=CN=C1 30433 [0,1,0,0,1,0|2,0,0]=4 304 B7R1.1 CNC1=CC=CS1 29398 [0,1,0,0,1,0|1,0,0]=3 305 B7R1.1 CNC1=NOC=C1 18181 [0,1,0,0,1,0|2,0,0]=4 306 B7R1.1 N#CC1=CN=CO1 20848 [0,1,0,0,1,0|1,0,1]=4 307 B7R1.1 N#CC1=CSC=C1 28089 [0,1,0,0,1,0|1,0,1]=4 308 B7R1.1 NCC1=CC=NN1 17985 [0,1,0,0,1,0|1,0,0]=3 309 B7R1.1 NCC1=CC=NO1 18182 [0,1,0,0,1,0|1,0,0]=3 310 B7R1.1 NCC1=CN=CO1 20845 [0,1,0,0,1,0|1,0,0]=3 311 B7R1.1 NCC1=CN=CS1 19378 [0,1,0,0,1,0|1,0,0]=3 312 B7R1.1 NCC1=CNN=N1 19305 [0,1,0,0,1,0|2,0,0]=4 313 B7R1.1 NCC1=COC=N1 20843 [0,1,0,0,1,0|2,0,0]=4 314 B7R1.1 NCC1=COC=N1 20844 [0,1,0,0,1,0|2,0,0]=4 315 B7R1.1 NCC1=CON=C1 19372 [0,1,0,0,1,0|1,0,0]=3 316 B7R1.1 NCC1=CSC=N1 19377 [0,1,0,0,1,0|2,0,0]=4 317 B7R1.1 NCC1=NC=CN1 17521 [0,1,0,0,1,0|2,0,0]=4 318 B7R1.1 NCC1=NC=CN1 18174 [0,1,0,0,1,0|2,0,0]=4 319 B7R1.1 NCC1=NC=CS1 19376 [0,1,0,0,1,0|2,0,0]=4 320 B7R1.1 NCC1=NC=NN1 18727 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.1 O=CC1=CC=CO1 32011 [0,1,0,0,1,0|2,0,0]=4 322 B7R1.1 O=CC1=CC=CS1 26946 [0,1,0,0,1,0|2,0,0]=4 323 B7R1.1 O=CC1=CN=CO1 19473 [0,1,0,0,1,0|2,0,0]=4 324 B7R1.1 O=CC1=CN=CS1 24726 [0,1,0,0,1,0|2,0,0]=4 325 B7R1.1 O=CC1=CNN=C1 17608 [0,1,0,0,1,0|2,0,0]=4 326 B7R1.1 O=CC1=CON=C1 17796 [0,1,0,0,1,0|2,0,0]=4 327 B7R1.1 O=CN1C=CN=C1 29216 [0,1,0,0,1,0|2,0,0]=4 328 B7R1.1 OCC1=CC=CS1 14033 [0,1,0,0,1,0|2,0,0]=4 329 B7R1.1 OCC1=CC=NO1 17531 [0,1,0,0,1,0|2,0,0]=4 330 B7R1.1 OCC1=CN=CS1 28873 [0,1,0,0,1,0|2,0,0]=4 331 B7R1.1 OCC1=COC=C1 26943 [0,1,0,0,1,0|2,0,0]=4 332 B7R1.1 SCC1=CC=CO1 31196 [0,1,0,0,1,0|2,0,0]=4 333 B7R1.2 BrC1=CN=C(Br)S1 27422 [0,1,0,0,1,0|2,0,0]=4 334 B7R1.2 CC1=CC(C)=NN1 24489 [0,1,0,0,1,0|2,0,0]=4 335 B7R1.2 CC1=CN=C(N)N1 19128 [0,1,0,0,1,0|2,0,0]=4 336 B7R1.2 CC1=NOC(N)=C1 26860 [0,1,0,0,1,0|1,0,0]=3 337 B7R1.2 CC1=NSC(N)=N1 28479 [0,1,0,0,1,0|2,0,0]=4 338 B7R1.2 CN1C=C(Br)C=N1 28610 [0,1,0,0,1,0|2,0,0]=4 339 B7R1.2 NC1=NC(Br)=CS1 20249 [0,1,0,0,1,0|2,0,0]=4 340 B7R1.2 NC1=NC=C(Br)S1 29486 [0,1,0,0,1,0|2,0,0]=4 341 B7R1.2 NC1=NN=C(S)S1 26858 [0,1,0,0,1,0|2,0,0]=4 342 B7R1.2 O=C1C=CC(=O)O1 02328 [0,1,0,0,1,0|2,0,0]=4 343 B7R1.4 BrC1=CSC=C1Br 24497 [0,1,0,0,1,0|2,0,0]=4 344 B7R1.4 CC1=C(Br)SC=N1 26386 [0,1,0,0,1,0|2,0,0]=4 345 B7R1.4 CC1=C(S)C=CO1 29781 [0,1,0,0,1,0|2,0,0]=4 346 B7R1.4 CC1=NC=CN1C 30384 [0,1,0,0,1,0|2,0,0]=4 347 B7R1.4 CN1C=CN=C1Cl 24054 [0,1,0,0,1,0|2,0,0]=4 348 B7R1.4 CN1N=CC=C1O 28907 [0,1,0,0,1,0|2,0,0]=4 349 B7R1.4 NC1=C(Br)C=NN1 31044 [0,1,0,0,1,0|1,0,0]=3 350 B7R1.4 NC1=NNC=C1Br 31033 [0,1,0,0,1,0|1,0,1]=4 351 B9R1.5 O=C1C=CC=CC=C1O 31100 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.1 C#CC1=CC=C(N)C=C1 28132 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.1 CC1=CC=C(CO)C=C1 15163 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.1 CNC1=CC=C(O)C=C1 32029 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.1 COC1=CC=C(Br)C=C1 30359 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.1 COC1=CC=C(C)C=C1 27173 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.1 COC1=CC=C(F)C=C1 30024 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.1 COC1=CC=C(N)N=C1 26213 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.1 COC1=CC=[N+]([O-])C=C1 26996 [0,2,0,0,0,0|1,0,1]=4 363 B9R1.1 COC1=NC=C(N)C=C1 27019 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.1 N#CC1=CC=C(N)C=N1 28683 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.1 N#CC1=CC=[N+]([O-])C=C1 26994 [0,2,0,0,0,0|0,0,2]=4 366 B9R1.1 N#CC1=CN=C(N)C=C1 27932 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.1 NC1=CC=C(CCl)N=C1 29166 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.1 NC1=CC=C(CO)C=C1 29757 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.1 NCC1=CC=C(Br)N=C1 19332 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.1 NCC1=CC=C(O)C=C1 17203 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.1 NNC1=CC=C(Cl)C=C1 21870 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.1 NNC1=CC=C(F)C=C1 31299 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.1 O=CC1=CC=C(Br)C=C1 21850 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.1 O=CC1=CC=C(Cl)C=C1 31158 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.1 O=CC1=CC=C(F)C=C1 30012 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.1 O=CC1=CC=C(I)C=C1 22320 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.1 O=CC1=CC=C(O)C=C1 03776 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.1 O=CC1=CC=C([O-])C=C1 24249 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.1 OCC1=CC=C(F)C=C1 30025 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.1 OCC1=CC=C(O)C=C1 00198 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.2 BrCC1=CC(Br)=CC=C1 00425 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.2 C#CC1=CC=CC(N)=C1 27389 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.2 CC1=CC(C#N)=NC=C1 27929 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.2 CC1=CC(CN)=NC=C1 26193 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.2 CC1=NC(CN)=CC=C1 17766 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.2 CCC1=CC(Br)=NC=C1 28599 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.2 CCC1=CC(N)=NC=C1 27934 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.2 CCC1=CC=CC(Br)=C1 28104 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.2 CCC1=CC=CC(O)=C1 26816 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.2 CCC1=CC=CC(O)=C1 29553 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.2 COC1=CC(Br)=NC=C1 28934 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.2 COC1=CC(Cl)=CC=N1 17704 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.2 COC1=CC(N)=CC=N1 17450 [0,2,0,0,0,0|0,0,0]=2 395 B9R1.2 COC1=CC(N)=NC=C1 26221 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.2 COC1=CC=CC(Br)=C1 21480 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.2 COC1=CC=CC(Cl)=C1 26754 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.2 COC1=CC=CC(F)=C1 30017 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.2 COC1=CC=CC(N)=N1 17159 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.2 COC1=CC=CC(O)=C1 00432 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.2 COC1=CC=NC(Cl)=C1 26079 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.2 COC1=NC=CC(Br)=N1 26320 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.2 COC1=NC=CC(C)=C1 28913 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.2 COC1=NC=CC(N)=N1 24717 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.2 CSC1=NC=CC(=O)N1 17249 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.2 CSC1=NC=CC(Cl)=N1 29981 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.2 ClC1=CC(CBr)=CC=C1 14035 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.2 FC1=CC(CBr)=CC=C1 07254 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.2 N#CC1=CC(Cl)=NC=C1 28142 [0,2,0,0,0,0|0,0,1]=3 410 B9R1.2 N#CC1=CC=CC(N)=C1 27142 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.2 N#CC1=CC=NC(Cl)=N1 24718 [0,2,0,0,0,0|1,0,1]=4 412 B9R1.2 NCC1=CC(I)=CC=C1 28182 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.2 NCC1=CC=CC(I)=C1 27339 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.2 OCC1=CC(F)=CC=C1 31155 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.6 CC(=O)C1=CC=NC=C1 27062 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.6 CC(N)C1=CC=NC=C1 17007 [0,2,0,0,0,0|0,0,0]=2 426 B9R1.6 CC(N)C1=CN=CC=C1 17106 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.6 CC(N)C1=NC=CC=C1 17105 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.6 CN(C)C1=CC=NC=C1 00120 [0,2,0,0,0,0|0,0,0]=2 429 B9R1.6 CN(C)C1=CC=NC=C1 30845 [0,2,0,0,0,0|0,0,0]=2 430 B9R1.6 CN(C)C1=CC=NC=C1 30846 [0,2,0,0,0,0|0,0,0]=2 431 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.6 N=C(N)C1=CC=CC=C1 00376 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.6 N=C(N)C1=CC=CC=C1 02005 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.6 N=C(N)C1=CC=CN=C1 31254 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.6 NC(=O)C1=CC=CN=C1 01504 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.6 NC(=O)C1=CC=NC=C1 27061 [0,2,0,0,0,0|0,0,0]=2 438 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.6 O=C(O)C1=CC=NC=C1 27060 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.6 O=C(O)C1=NC=NC=C1 17543 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.6 O=C([O-])C1=CC=CC=C1 01934 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.6 O=C([O-])C1=CC=CC=C1 26491 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.6 OB(O)C1=CC=CC=C1 26799 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.6 OB(O)C1=CC=CC=C1 29551 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.6 OB(O)C1=CC=NC=C1 29071 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.8 CCCC1=CC=CC=C1 27219 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.8 CCCC1=CC=CC=C1 29530 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.8 CCOC1=CC=CC=C1 30856 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.8 CNCC1=CC=CC=C1 23236 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.8 CNCC1=CC=CN=C1 23300 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.8 CNCC1=CC=NC=C1 23632 [0,2,0,0,0,0|0,0,0]=2 454 B9R1.8 CNCC1=NC=CC=C1 23554 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.8 COCC1=CC=NC=C1 29392 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.8 NCCC1=CC=CC=C1 21747 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.8 NOCC1=CC=CC=C1 02279 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.8 OCCC1=CC=CC=C1 01623 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.8 ONCC1=CC=CC=C1 31261 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.8 S=C=NC1=CC=CC=C1 24479 [0,2,0,0,0,0|1,0,1]=4 461 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.15 CC1=C(CN)C=CN=C1 18175 [0,2,0,0,0,0|0,0,0]=2 463 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.15 CCC1=C(O)C=CC=C1 26809 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.15 COC1=C(Br)C=CC=C1 30420 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.15 COC1=C(F)C=CC=C1 30023 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.15 COC1=C(I)C=CC=C1 26768 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.15 COC1=C(N)C=CN=C1 26333 [0,2,0,0,0,0|0,0,0]=2 469 B9R1.15 COC1=CC=CN=C1N 26214 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.15 COC1=CC=NC=C1Br 18025 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.15 COC1=CC=NC=C1I 20132 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.15 COC1=CC=NC=C1N 26215 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.15 COC1=NC=CC=C1N 30330 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.15 N#CC1=C(N)C=CC=N1 17258 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.15 N#CC1=C(N)C=CN=C1 18056 [0,2,0,0,0,0|0,0,0]=2 478 B9R1.15 N#CC1=C(N)C=NC=C1 17343 [0,2,0,0,0,0|0,0,1]=3 479 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [0,2,0,0,0,0|1,0,1]=4 480 B9R1.15 N#CC1=CC=CN=C1N 27928 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.15 N#CC1=CN=CN=C1O 25038 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.15 NC1=C(C=O)C=CC=N1 28552 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.15 NC1=C(C=O)C=CN=C1 17082 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.15 NC1=C(CCl)C=CC=N1 18029 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.15 NC1=C(CO)C=CC=N1 17074 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.15 NC1=CC=NC=C1C=O 17064 [0,2,0,0,0,0|0,0,0]=2 487 B9R1.15 NC1=CC=NC=C1C=O 18057 [0,2,0,0,0,0|0,0,0]=2 488 B9R1.15 NC1=CN=CC=C1CO 17398 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.15 NC1=NC=CC=C1C=O 17970 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.15 NNC1=C(Cl)C=CC=N1 26149 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.15 O=CC1=C(Br)C=CC=C1 21252 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.15 O=CC1=C(F)C=CC=C1 30013 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.15 O=CC1=CN=CC=C1Cl 28845 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.15 OCC1=C(F)C=CC=C1 31154 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.69 BrC1=CC(I)=C(Br)C=C1 30841 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.69 CC1=C(Br)C=C(N)C=N1 29069 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.69 CC1=C(Br)C=NC(Br)=C1 28275 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.69 CC1=C(Br)C=NC(Cl)=C1 28770 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.69 CC1=C(Br)C=NC(N)=C1 28768 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.69 CC1=C(Br)C=NC(O)=C1 28771 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.69 CC1=C(Br)N=CC(N)=C1 28701 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.69 CC1=C(C)N=C(N)C=C1 28911 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.69 CC1=C(Cl)N=C(N)C=C1 29400 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.69 CC1=C(I)C=C(N)C=C1 27676 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.69 CC1=C(I)C=CC(N)=N1 28878 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=C(N)C=CC(I)=C1 30827 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.69 CC1=C(N)C=CC(N)=C1 17451 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.69 CC1=C(N)C=CC(N)=N1 28765 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=C(N)C=NC(N)=C1 28772 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.69 CC1=C(O)C=C(Cl)C=C1 27750 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.69 CC1=C(O)C=CC(Cl)=C1 26818 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.69 CC1=C(O)C=CC(O)=C1 30342 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.69 CC1=CC(Br)=C(N)N=C1 27806 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=CC(Br)=C(O)C=C1 26805 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.69 CC1=CC(Br)=NC=C1N 29096 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.69 CC1=CC(C)=C(Br)C=N1 29242 [0,2,0,0,0,0|1,0,0]=3 521 B9R1.69 CC1=CC(Cl)=CN=C1N 27936 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=CC(Cl)=NC=C1Cl 29036 [0,2,0,0,0,0|1,0,0]=3 523 B9R1.69 CC1=CC(Cl)=NC=C1N 28769 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.69 CC1=CC(I)=C(N)N=C1 29156 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=CC(I)=CN=C1N 28604 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=CC(N)=C(Br)C=N1 29016 [0,2,0,0,0,0|0,0,0]=2 527 B9R1.69 CC1=CC(N)=C(Cl)N=C1 28766 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=CC(N)=NC=C1Cl 28939 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.69 CC1=CC(N)=NC=C1I 28945 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.69 CC1=CC(O)=CC=C1Br 27863 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.69 CC1=CC=C(Br)C(I)=C1 29060 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=CC=C(Br)C(N)=C1 17974 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.69 CC1=CC=C(Br)C(N)=N1 28707 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=CC=C(Br)C=C1C 12975 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 27858 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=CC=C(F)C=C1Cl 31163 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.69 CC1=CC=C(F)C=C1N 21901 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.69 CC1=CC=C(I)C(Br)=C1 27860 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.69 CC1=CC=C(N)C(Cl)=N1 28706 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.69 CC1=CC=C(N)C(F)=N1 17334 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.69 CC1=CC=C(N)C(I)=C1 28728 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.69 CC1=CC=C(O)C=C1Br 29091 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=CN=C(Br)C(N)=C1 29097 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=CN=C(Cl)C=C1Cl 26266 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.69 CC1=CN=C(F)C=C1I 28715 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.69 CC1=CN=C(N)C(C)=C1 29283 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.69 CC1=CN=C(O)N=C1N 01486 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.69 CC1=NC(Br)=C(N)C=C1 28699 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.69 CC1=NC(C)=C(N)C=C1 28532 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.69 CC1=NC(Cl)=CC=C1N 28711 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.69 CC1=NC(N)=CC=C1Cl 29183 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.69 CC1=NC=C(Br)C=C1N 29148 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.69 ClC1=CC(Cl)=NN=C1Cl 31465 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.69 ClC1=NC=C(Br)C(Cl)=N1 31768 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.69 FC1=CC(I)=C(Cl)C=N1 28848 [0,2,0,0,0,0|1,0,0]=3 556 B9R1.69 NC1=C(Br)C=C(Br)C=C1 27131 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.69 NC1=C(Br)C=C(Cl)C=N1 28448 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.69 NC1=C(Br)C=C(F)C=N1 26161 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.69 NC1=C(Br)C=NC(Cl)=C1 29159 [0,2,0,0,0,0|0,0,0]=2 560 B9R1.69 NC1=C(Br)N=C(Cl)C=C1 29330 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.69 NC1=C(Br)N=CC(Cl)=C1 29021 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.69 NC1=C(Cl)C=C(I)C=C1 27507 [0,2,0,0,0,0|1,0,0]=3 563 B9R1.69 NC1=C(Cl)N=C(Cl)N=C1 17626 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.69 NC1=C(F)C=C(Br)C=C1 24974 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.69 NC1=C(F)C=CC(Br)=C1 29748 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.69 NC1=C(I)C=CC(Cl)=C1 17354 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.69 NC1=CC(Br)=C(N)N=C1 28762 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.69 NC1=CC(Br)=CC=C1O 28279 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.69 NC1=CC(Br)=CN=C1Br 29181 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.69 NC1=CC(Br)=CN=C1Cl 28638 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.69 NC1=CC(Br)=CN=C1N 29224 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.69 NC1=CC(Br)=CN=C1O 28801 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.69 NC1=CC(Cl)=C(F)C=C1 21867 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.69 NC1=CC(Cl)=CN=C1Cl 28193 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.69 NC1=CC(Cl)=CN=C1O 29454 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.69 NC1=CC(F)=CC=C1O 24900 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.69 NC1=CC(F)=CN=C1N 29077 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.69 NC1=CC=C(Br)N=C1Br 27927 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.69 NC1=CC=C(Br)N=C1N 26339 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.69 NC1=CC=C(Br)N=C1O 18861 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.69 NC1=CC=C(Cl)N=C1Cl 27475 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.69 NC1=CN=C(Br)C(Cl)=C1 29222 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.69 NC1=CN=C(Cl)C(Br)=C1 28799 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.69 NC1=CN=C(Cl)C(Cl)=C1 28800 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.69 NC1=CN=C(Cl)C(N)=C1 29208 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.69 NC1=CN=C(Cl)C=C1Cl 17694 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.69 NC1=NC(=O)NC=C1F 01260 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.69 NC1=NC=C(Br)C=C1Br 27539 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.69 NC1=NC=C(Br)C=C1Cl 29314 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.69 NC1=NC=C(Br)C=C1O 29190 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.69 NC1=NC=C(Cl)C=C1Cl 27028 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.69 NC1=NC=C(Cl)C=C1F 29248 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.69 NC1=NC=C(Cl)C=C1I 29039 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.69 NC1=NC=C(O)C=C1Cl 29220 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.69 OC1=C(Br)C=C(Br)C=C1 26804 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.69 OC1=C(Br)C=C(F)C=C1 25759 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.69 OC1=CC=C(I)C=C1F 26368 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.3 BrC1=CN=CC(Br)=C1Br 28520 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.3 CC1=C(Br)C(N)=CC=C1 28943 [0,2,0,0,0,0|1,0,0]=3 600 B9R1.3 CC1=C(Br)C=NC=C1Br 27925 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.3 CC1=C(Cl)C=CC=C1F 31164 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.3 CC1=C(Cl)C=NC=C1Cl 29236 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.3 CC1=C(Cl)N=CC=C1Cl 29180 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.3 CC1=C(I)C=CN=C1F 28714 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.3 CC1=C(N)C(O)=CC=C1 30843 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.3 CC1=C(O)C=CC=C1O 21880 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.3 CC1=CC=CC(N)=C1C 15001 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.3 CC1=CC=NC(Br)=C1N 28840 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.3 CC1=CC=NC(C)=C1Br 29376 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.3 CC1=CC=NC(Cl)=C1Br 28843 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.3 CC1=CC=NC(Cl)=C1Cl 29228 [0,2,0,0,0,0|1,0,0]=3 612 B9R1.3 CC1=CC=NC(Cl)=C1F 28842 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.3 CC1=CC=NC(Cl)=C1N 28383 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.3 CC1=CN=CC(Br)=C1C 29340 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.3 CC1=CN=CC(C)=C1Br 26410 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.3 CC1=CN=CC(C)=C1N 24012 [0,2,0,0,0,0|0,0,0]=2 617 B9R1.3 CC1=NC=CC(Br)=C1N 29438 [0,2,0,0,0,0|1,0,0]=3 618 B9R1.3 ClC1=CN=CC(Cl)=C1Cl 27693 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.3 NC1=C(Cl)C=CN=C1Cl 29193 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.3 NC1=C(Cl)C=NC=C1Cl 27916 [0,2,0,0,0,0|0,0,0]=2 621 B9R1.3 NC1=C(Cl)N=CN=C1Cl 24508 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.3 NC1=C(F)C=NC=C1F 17672 [0,2,0,0,0,0|0,0,0]=2 623 B9R1.3 NC1=CC=CC(Cl)=C1I 18889 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.3 NC1=CC=NC(Cl)=C1N 29005 [0,2,0,0,0,0|0,0,0]=2 625 B9R1.3 O=C1C(Cl)=CNC=C1Cl 27692 [0,2,0,0,0,0|1,0,1]=4 626 B9R1.3 OC1=CC=CC(O)=C1Br 29047 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.3 OC1=CC=CC(O)=C1Cl 31173 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.3 OC1=CC=CC(O)=C1O 22779 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.34 BrC1=CC(Br)=NC(Br)=N1 26109 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.34 CC1=CC(C)=CC(Br)=C1 30881 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.34 CC1=CC(C)=NC(Cl)=N1 16985 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 29121 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.34 CC1=CC(Cl)=NC(Br)=C1 29233 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 26284 [0,2,0,0,0,0|1,0,0]=3 635 B9R1.34 CC1=CC(Cl)=NC(N)=C1 29231 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.34 CC1=CC(N)=CC(Br)=C1 26288 [0,2,0,0,0,0|1,0,0]=3 637 B9R1.34 CC1=CC(N)=CC(Br)=N1 26405 [0,2,0,0,0,0|0,0,0]=2 638 B9R1.34 CC1=CC(N)=CC(C)=N1 18667 [0,2,0,0,0,0|0,0,0]=2 639 B9R1.34 CC1=CC(N)=NC(C)=N1 26982 [0,2,0,0,0,0|1,0,0]=3 640 B9R1.34 CC1=CC(O)=CC(O)=C1 00235 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.34 CC1=CC(O)=CC(O)=C1 21964 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.34 CC1=CC(O)=CC(O)=N1 28560 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.34 CC1=NC(N)=NC(N)=N1 26086 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.34 CC1=NC(O)=CC(O)=N1 22017 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 30731 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 29014 [0,2,0,0,0,0|1,0,0]=3 647 B9R1.34 NC1=CC(Br)=NC(Br)=C1 28254 [0,2,0,0,0,0|0,0,0]=2 648 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 27715 [0,2,0,0,0,0|0,0,0]=2 649 B9R1.34 NC1=NC(Cl)=CC(Cl)=C1 18053 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.34 NC1=NC(Cl)=CC(Cl)=N1 21239 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.34 NC1=NC(N)=NC(Cl)=C1 21856 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.34 NC1=NC(O)=CC(O)=N1 28234 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.34 NC1=NC(O)=NC(O)=C1 21859 [0,2,0,0,0,0|1,0,0]=3 654 B9R1.34 OC1=CC(Br)=NC(Br)=C1 29955 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.34 OC1=CC(Cl)=NC(Cl)=C1 26131 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.34 OC1=CC(O)=CC(O)=C1 01479 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.34 OC1=CC(O)=CC(O)=C1 24456 [0,2,0,0,0,0|2,0,0]=4 658 B5R1.1 C1=CNC=N1 00418 [1,0,0,0,1,0|1,0,0]=3 659 B5R1.1 C1=CNC=N1 01178 [1,0,0,0,1,0|1,0,0]=3 660 B5R1.1 C1=CNC=N1 01546 [1,0,0,0,1,0|1,0,0]=3 661 B5R1.1 C1=CNN=C1 02354 [1,0,0,0,1,0|1,0,0]=3 662 B5R1.1 C1=CNN=N1 16990 [1,0,0,0,1,0|2,0,0]=4 663 B5R1.1 C1=CON=C1 01809 [1,0,0,0,1,0|1,0,0]=3 664 B5R1.1 C1=CSC=N1 03607 [1,0,0,0,1,0|1,0,0]=3 665 B5R1.1 C1=NC=NN1 00942 [1,0,0,0,1,0|2,0,0]=4