0 B7R1.3 Brc1cccnc1 PI-11914 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 Brc1cccnn1 PI-37395 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 Brc1ccncc1 PI-10390 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 Brc1ccnnc1 PI-34084 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 C1=C(C=NC=N1)Br PI-16276 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 C1=C(C=NC=N1)Cl PI-21317 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 C1=C(C=NC=N1)F PI-28750 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 C1=CC(=CN=C1)I PI-11390 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 C1=CC(=CN=C1)O PI-44714 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [0,0,0,0,0,0|1,0,1]=2 10 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [0,0,0,0,0,0|1,0,1]=2 12 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,0,0,0,0,0|1,0,1]=2 13 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [0,0,0,0,0,0|1,1,0]=2 14 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 C1=CC=NC(=C1)I PI-32173 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 C1=CN=C(N=C1)N PI-33106 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [0,0,0,0,0,0|2,1,0]=3 20 B7R1.3 C1=CN=CC=C1Cl PI-16703 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 C1=CN=CC=C1F PI-10293 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 C1=CN=CC=C1F PI-28763 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 C1=CN=CC=C1I PI-16167 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 C1=CN=CN=C1Cl PI-47317 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 C1=CN=CN=C1N PI-34789 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 C1=CN=CNC1=O PI-21341 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 C1=CN=CNC1=O PI-45002 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 C1=CNC(=S)N=C1 PI-15316 [0,0,0,0,0,0|2,1,0]=3 31 B7R1.3 C1=CNC=CC1=S PI-33123 [0,0,0,0,0,0|1,1,0]=2 32 B7R1.3 C1=COC=CC1=O PI-43972 [0,0,0,0,0,0|1,0,1]=2 33 B7R1.3 C1=C[N+](=CC=N1)[O-] PI-50198 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,0,0,0|1,0,3]=4 35 B7R1.3 CC1=CC=CC=N1 PI-38534 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.3 CC1=NC=CN=C1 PI-48495 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.3 C[n+]1ccccc1 PI-17168 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.3 Cc1ncccn1 PI-35192 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.3 ClC1=NN=CC=C1 PI-37010 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.3 Clc1cccnc1 PI-11921 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.3 Clc1ccncn1 PI-38789 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.3 Clc1ncccn1 PI-16275 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.3 Fc1ccccn1 PI-11583 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.3 Fc1cccnc1 PI-16759 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.3 Ic1ccccc1 PI-37973 [0,0,0,0,0,0|1,0,0]=1 49 B7R1.3 Ic1cnccn1 PI-38885 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.3 N[n+]1ccccc1 PI-10984 [0,0,0,0,0,0|2,0,0]=2 51 B7R1.3 Nc1cccnn1 PI-38601 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.3 Nc1ccnnc1 PI-35933 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.3 Nc1cnccn1 PI-29636 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.3 Nc1cncnc1 PI-38883 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.3 Nc1ncncn1 PI-14137 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.3 O=C1C=CC=NN1 PI-40006 [0,0,0,0,0,0|2,0,1]=3 57 B7R1.3 O=C1C=CNC=C1 PI-33984 [0,0,0,0,0,0|1,0,1]=2 58 B7R1.3 Oc1cncnc1 PI-36495 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.3 [S-]c1ccccc1 PI-17985 [0,0,0,0,0,0|0,1,0]=1 60 B6R1.1 C1=CN=CC=N1 PI-14237 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.1 [c-]1ncccn1 PI-40989 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.1 c1[c-]cccc1 PI-15765 [1,0,0,0,0,0|0,0,1]=2 63 B6R1.1 c1[c-]cccc1 PI-24613 [1,0,0,0,0,0|0,0,1]=2 64 B6R1.1 c1cccn[c-]1 PI-24182 [1,0,0,0,0,0|1,0,1]=3 65 B6R1.1 c1cccnc1 PI-14207 [1,0,0,0,0,0|1,0,0]=2 66 B6R1.1 c1ccncn1 PI-11036 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.2 C#CC1=CN=CN=C1 PI-35998 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 C1=CN=CC=C1CCl PI-31734 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 C1=CN=CC=C1CO PI-16744 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.2 C1=CN=CN=C1C=O PI-34868 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.2 C1=CN=CN=C1CO PI-35498 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 CCC1=CC=CC=N1 PI-49466 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.2 CCC1=NC=CN=C1 PI-11040 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 CNC1=CC=CC=N1 PI-11864 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.2 CNC1=CC=NC=C1 PI-23603 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 CNC1=CN=CC=C1 PI-11328 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 COC1=CC=CC=N1 PI-33887 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.2 COC1=CC=NC=C1 PI-10034 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.2 COC1=CN=CC=C1 PI-33889 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.2 COC1=NC=CN=C1 PI-11859 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.2 CSC1=CC=CC=N1 PI-16757 [0,1,0,0,0,0|1,1,0]=3 98 B8R1.2 CSC1=NC=CN=C1 PI-11048 [0,1,0,0,0,0|2,1,0]=4 99 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.2 ClCc1ccccn1 PI-16716 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.2 ClCc1ncccn1 PI-35014 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.2 ClCc1ncccn1 PI-40553 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.2 N#Cc1cncnc1 PI-38932 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.2 NCC1=CC=CC=C1 PI-37209 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.2 NCc1ccccn1 PI-33905 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.2 NCc1cccnc1 PI-15236 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.2 NCc1ccncc1 PI-31790 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.2 NCc1ncccn1 PI-34855 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.2 NCc1ncccn1 PI-34856 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.2 NNC1=CC=CC=C1 PI-41551 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.2 O=Cc1ccccn1 PI-33895 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.2 O=Cc1cccnc1 PI-33908 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.2 O=Cc1ccncc1 PI-13140 [0,1,0,0,0,0|1,0,1]=3 116 B8R1.2 OCC1=CC=CN=C1 PI-11019 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.2 OCC1=NC=CC=C1 PI-16261 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.2 OCc1ccncc1 PI-16686 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.2 ONc1ccccc1 PI-38448 [0,1,0,0,0,0|0,0,0]=1 120 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.2 c1nccnc1C#N PI-11837 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.3 Brc1ccc(C)cn1 PI-10149 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.3 Brc1ccc(I)cc1 PI-21525 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.3 Brc1ccc(cn1)F PI-23448 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.3 Brc1ccc(cn1)N PI-31056 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.3 Brc1cnc(Cl)nc1 PI-20664 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.3 Brc1cnc(nc1)I PI-24188 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.3 Brc1cnc(nc1)N PI-31304 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.3 C1=C(C=NC(=N1)Cl)Cl PI-32939 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.3 C1=C(C=NC(=N1)Cl)I PI-39116 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.3 C1=C(C=NC(=N1)Cl)O PI-40987 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.3 C1=C(C=NC(=N1)F)I PI-45099 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.3 C1=C(C=NC(=N1)N)Cl PI-30697 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.3 C1=C(C=NC(=N1)N)F PI-43297 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.3 C1=C(C=NC(=N1)N)I PI-21304 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.3 C1=C(C=NC(=N1)N)N PI-34826 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.3 C1=C(C=NC(=O)N1)Br PI-31176 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.3 C1=C(C=NC(=O)N1)I PI-32628 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.3 C1=C(I)C=CC(=N1)Br PI-38918 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.3 C1=C(N=CC(=N1)Br)Br PI-45094 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.3 C1=C(N=CC(=N1)Br)N PI-45009 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.3 C1=C(N=CC(=N1)Cl)Cl PI-43294 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.3 C1=C(N=CC(=N1)Cl)N PI-44940 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.3 C1=C(N=CC(=O)N1)Cl PI-45666 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [0,1,0,0,0,0|0,1,0]=2 148 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [0,1,0,0,0,0|0,1,0]=2 149 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [0,1,0,0,0,0|0,1,0]=2 150 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [0,1,0,0,0,0|0,1,0]=2 151 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.3 C1=CC(=NC=C1Br)I PI-22827 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.3 C1=CC(=NC=C1Cl)Br PI-10389 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.3 C1=CC(=NC=C1Cl)I PI-34652 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.3 C1=CC(=NC=C1I)Cl PI-20140 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.3 C1=CC(=NN=C1Cl)I PI-40021 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.3 C1=CC(=NN=C1N)Cl PI-30704 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.3 C1=CC(=NNC1=O)Cl PI-48747 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.3 CC1=CN=C(C=N1)N PI-48187 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [0,1,0,0,0,0|1,0,1]=3 171 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.3 CC1=NC=C(C=N1)Br PI-35175 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.3 CC1=NC=C(C=N1)N PI-32948 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.3 Cc1ccc(Cl)nn1 PI-30064 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.3 Cc1ccc(F)cc1 PI-34120 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.3 Cc1ccc(I)cc1 PI-13709 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.3 Cc1ccc(cn1)Br PI-23479 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.3 Cc1ccc(cn1)N PI-13104 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.3 Cc1ncc(nc1)Br PI-36981 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.3 ClC1=NN=C(Cl)C=C1 PI-16281 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.3 Clc1ccc(Br)cn1 PI-31223 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.3 Clc1ccc(Cl)nc1 PI-10179 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.3 Clc1ccc(cn1)C PI-16696 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.3 Clc1ccc(cn1)N PI-10026 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.3 Clc1cnc(O)nc1 PI-21321 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.3 Clc1cnc(nc1)I PI-38331 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.3 Clc1ncc(nc1)Br PI-39468 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [0,1,0,0,0,0|1,0,0]=2 196 B8R1.3 Fc1ccc(I)cc1 PI-15769 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.3 Fc1ccc(N)cn1 PI-10292 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.3 Fc1ccc(cc1)F PI-11683 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.3 Fc1ccc(cn1)F PI-35922 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.3 Fc1cnc(Cl)nc1 PI-21320 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.3 Ic1ccc(cc1)I PI-10976 [0,1,0,0,0,0|1,0,0]=2 202 B8R1.3 Ic1ccc(cn1)I PI-32190 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.3 Nc1ccc(O)cc1 PI-34110 [0,1,0,0,0,0|0,0,0]=1 205 B8R1.3 Nc1ccc(cc1)F PI-33065 [0,1,0,0,0,0|1,0,0]=2 206 B8R1.3 Nc1ccc(cc1)I PI-25653 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.3 Nc1ccc(cn1)Br PI-22846 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.3 Nc1ccc(cn1)C PI-25208 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.3 Nc1ccc(cn1)I PI-10252 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.3 Nc1cnc(nc1)Cl PI-21313 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [0,1,0,0,0,0|1,0,0]=2 213 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [0,1,0,0,0,0|1,0,0]=2 214 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [0,1,0,0,0,0|0,0,0]=1 215 B8R1.3 Oc1ccc(I)cc1 PI-10956 [0,1,0,0,0,0|0,0,0]=1 216 B8R1.3 Oc1ccc(cc1)F PI-27532 [0,1,0,0,0,0|0,0,0]=1 217 B8R1.3 Oc1ccc(cc1)S PI-21361 [0,1,0,0,0,0|0,0,0]=1 218 B8R1.3 Oc1ccc(cn1)Br PI-16568 [0,1,0,0,0,0|1,0,0]=2 219 B8R1.3 Oc1ccc(cn1)C PI-37410 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.3 Oc1ccc(cn1)F PI-34437 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.3 Oc1ccc(cn1)N PI-28402 [0,1,0,0,0,0|1,0,0]=2 223 B8R1.3 Oc1cnc(N)nc1 PI-36493 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.4 BrC1=NC=CC(N)=N1 PI-46732 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [0,1,0,0,0,0|1,0,1]=3 227 B8R1.4 Brc1cccc(I)c1 PI-21524 [0,1,0,0,0,0|1,0,0]=2 228 B8R1.4 Brc1cccc(I)n1 PI-36513 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.4 Brc1cccc(c1)Br PI-11676 [0,1,0,0,0,0|1,0,0]=2 230 B8R1.4 Brc1cccc(n1)Br PI-31381 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.4 Brc1ccnc(c1)C PI-32240 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.4 Brc1ccnc(c1)Cl PI-31296 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.4 Brc1ccnc(c1)N PI-35022 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.4 Brc1cncc(Br)c1 PI-10080 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.4 Brc1ncnc(c1)Br PI-38773 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.4 C1=C(C=NC=C1Br)Cl PI-34454 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.4 C1=C(C=NC=C1Br)F PI-10088 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.4 C1=C(C=NC=C1Br)N PI-10515 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.4 C1=C(C=NC=C1Cl)Cl PI-32420 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.4 C1=C(C=NC=C1Cl)F PI-34439 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.4 C1=C(C=NN=C1N)Br PI-44595 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.4 C1=C(C=NN=C1N)Br PI-44596 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.4 C1=C(N=C(C=N1)Cl)N PI-30484 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.4 C1=C(N=CN=C1N)N PI-21325 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.4 C1=C(N=CNC1=O)Cl PI-16343 [0,1,0,0,0,0|2,0,1]=4 247 B8R1.4 C1=C(N=CNC1=O)N PI-21312 [0,1,0,0,0,0|2,0,1]=4 248 B8R1.4 C1=C(N=CNC1=O)O PI-15320 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.4 C1=C(NC(=S)N=C1)N PI-21307 [0,1,0,0,0,0|2,1,0]=4 250 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [0,1,0,0,0,0|1,0,0]=2 251 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [0,1,0,0,0,0|0,1,0]=2 252 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [0,1,0,0,0,0|0,0,0]=1 253 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.4 C1=CC(=C[N+](=C1)[O-])Br PI-42571 [0,1,0,0,0,0|1,0,1]=3 256 B8R1.4 C1=CC(=C[N+](=C1)[O-])Cl PI-42572 [0,1,0,0,0,0|1,0,1]=3 257 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [0,1,0,0,0,0|1,0,0]=2 258 B8R1.4 C1=CC(=NC(=C1)Br)F PI-33061 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.4 C1=CC(=NC(=C1)Br)N PI-14243 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.4 C1=CC(=NC(=C1)Cl)F PI-34440 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [0,1,0,0,0,0|1,0,1]=3 262 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.4 C1=CN=C(C=C1Br)F PI-24079 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.4 C1=CN=C(C=C1F)F PI-40869 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.4 C1=CN=C(C=C1I)Cl PI-11387 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.4 C1=CN=C(N=C1Br)Br PI-50057 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.4 C1=CN=C(N=C1Cl)Br PI-39637 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.4 C1=CN=C(N=C1N)Cl PI-10283 [0,1,0,0,0,0|3,0,0]=4 269 B8R1.4 C1=CN=C(N=C1N)F PI-45161 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.4 C1=CN=C(N=C1N)N PI-11759 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.4 C1=CN=C(NC1=O)N PI-12796 [0,1,0,0,0,0|2,0,1]=4 272 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [0,1,0,0,0,0|1,0,1]=3 273 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [0,1,0,0,0,0|1,0,1]=3 274 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [0,1,0,0,0,0|1,0,1]=3 275 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [0,1,0,0,0,0|1,0,0]=2 276 B8R1.4 C1=CNC(=S)NC1=O PI-48541 [0,1,0,0,0,0|2,0,1]=4 277 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [0,1,0,0,0,0|2,0,0]=3 279 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.4 CC1=CC(=NC=N1)Br PI-45128 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,1,0,0,0,0|2,0,1]=4 284 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,1,0,0,0,0|2,0,1]=4 285 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,1,0,0,0,0|1,0,1]=3 286 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [0,1,0,0,0,0|1,0,1]=3 288 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.4 CC1=NC(=NC=C1)Br PI-21314 [0,1,0,0,0,0|3,0,0]=4 290 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.4 Cc1cc[nH]c(=O)n1 PI-21340 [0,1,0,0,0,0|2,0,1]=4 292 B8R1.4 Cc1cccc(N)n1 PI-32836 [0,1,0,0,0,0|2,0,0]=3 293 B8R1.4 Cc1cccc(n1)Cl PI-28225 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.4 Cc1cccc(n1)F PI-16770 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.4 Cc1ccnc(Cl)n1 PI-32949 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.4 Cc1ccnc(N)c1 PI-32462 [0,1,0,0,0,0|2,0,0]=3 297 B8R1.4 Cc1ccnc(c1)F PI-23598 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.4 Cc1ccnc(n1)N PI-21305 [0,1,0,0,0,0|3,0,0]=4 299 B8R1.4 Cc1ccnc(n1)S PI-21344 [0,1,0,0,0,0|2,1,0]=4 300 B8R1.4 Cc1cncc(Br)n1 PI-32830 [0,1,0,0,0,0|3,0,0]=4 301 B8R1.4 Clc1cccc(c1)I PI-39251 [0,1,0,0,0,0|1,0,0]=2 302 B8R1.4 Clc1ccnc(Cl)c1 PI-16701 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.4 Clc1ccnc(Cl)n1 PI-28484 [0,1,0,0,0,0|3,0,0]=4 304 B8R1.4 Clc1ccnc(c1)N PI-11783 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.4 Clc1ccnc(n1)C PI-38934 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.4 Clc1ccnc(n1)N PI-27559 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.4 Clc1cncc(Cl)n1 PI-16282 [0,1,0,0,0,0|3,0,0]=4 308 B8R1.4 Clc1ncnc(Cl)c1 PI-31039 [0,1,0,0,0,0|3,0,0]=4 309 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [0,1,0,0,0,0|1,0,0]=2 310 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [0,1,0,0,0,0|1,0,0]=2 311 B8R1.4 Fc1cccc(c1)F PI-11677 [0,1,0,0,0,0|1,0,0]=2 312 B8R1.4 Fc1cccc(c1)S PI-16910 [0,1,0,0,0,0|0,1,0]=2 313 B8R1.4 Fc1cccc(n1)F PI-11766 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.4 Fc1ccnc(Cl)c1 PI-16761 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.4 Fc1ccnc(c1)Br PI-34451 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.4 Fc1cncc(c1)F PI-33060 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.4 Ic1ccnc(Br)c1 PI-27035 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.4 Ic1ccnc(N)c1 PI-36261 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.4 Ic1ccnc(c1)F PI-34431 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.4 NC1=CC(=CN=C1)F PI-40469 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.4 NC1=CC(N)=NC=C1 PI-37257 [0,1,0,0,0,0|2,0,0]=3 322 B8R1.4 NC1=NC=CC(=C1)F PI-39567 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.4 NC1=NC=CC(=N1)Br PI-40255 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.4 Nc1cc[nH]c(=O)n1 PI-16002 [0,1,0,0,0,0|2,0,1]=4 325 B8R1.4 Nc1cccc(F)c1 PI-16946 [0,1,0,0,0,0|1,0,0]=2 326 B8R1.4 Nc1cccc(F)n1 PI-15934 [0,1,0,0,0,0|2,0,0]=3 327 B8R1.4 Nc1cccc(N)n1 PI-33126 [0,1,0,0,0,0|2,0,0]=3 328 B8R1.4 Nc1cccc(S)c1 PI-21351 [0,1,0,0,0,0|0,1,0]=2 329 B8R1.4 Nc1cccc(n1)Cl PI-27605 [0,1,0,0,0,0|2,0,0]=3 330 B8R1.4 Nc1ccnc(c1)Br PI-23436 [0,1,0,0,0,0|2,0,0]=3 331 B8R1.4 Nc1ccnc(c1)Cl PI-23438 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.4 Nc1cnnc(c1)Cl PI-39012 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.4 Nc1ncnc(c1)Cl PI-21308 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.4 O=C1C=CC=C(Cl)N1 PI-35283 [0,1,0,0,0,0|1,0,1]=3 335 B8R1.4 O=C1NC(C=CN1)=O PI-37339 [0,1,0,0,0,0|2,0,1]=4 336 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [0,1,0,0,0,0|1,0,0]=2 337 B8R1.4 Oc1cccc(c1)I PI-10955 [0,1,0,0,0,0|0,0,0]=1 338 B8R1.4 Oc1cccc(c1)S PI-21360 [0,1,0,0,0,0|0,0,0]=1 339 B8R1.4 Oc1ccnc(c1)N PI-34188 [0,1,0,0,0,0|1,0,0]=2 340 B8R1.4 Oc1ccnc(n1)Cl PI-38931 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.4 Oc1cncc(c1)Br PI-27886 [0,1,0,0,0,0|1,0,0]=2 342 B8R1.4 Oc1cnnc(n1)S PI-12573 [0,1,0,0,0,0|3,0,0]=4 343 B8R1.4 S=c1cc[nH]c(=O)[nH]1 PI-12580 [0,1,0,0,0,0|2,0,1]=4 344 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [0,1,0,0,0,0|0,1,0]=2 345 B8R1.4 [O-][n+]1cccc(F)c1 PI-33008 [0,1,0,0,0,0|1,0,1]=3 346 B8R1.5 BrC1=NC=CC=C1N PI-28492 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.5 Brc1ccccc1Br PI-38145 [0,1,0,0,0,0|1,0,0]=2 348 B8R1.5 Brc1cccnc1Cl PI-28602 [0,1,0,0,0,0|2,0,0]=3 349 B8R1.5 Brc1cccnc1N PI-30126 [0,1,0,0,0,0|2,0,0]=3 350 B8R1.5 C1=C(C(=NC=N1)Cl)F PI-42904 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.5 C1=C(C(=NC=N1)N)F PI-45138 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.5 C1=C(C(=O)NC=N1)Br PI-45070 [0,1,0,0,0,0|2,0,1]=4 353 B8R1.5 C1=C(C(=O)NC=N1)F PI-15254 [0,1,0,0,0,0|2,0,1]=4 354 B8R1.5 C1=C(C(=O)NC=N1)N PI-45141 [0,1,0,0,0,0|2,0,1]=4 355 B8R1.5 C1=CC(=C(N=C1)Br)Br PI-28122 [0,1,0,0,0,0|2,0,0]=3 356 B8R1.5 C1=CC(=C(N=C1)Br)Cl PI-27992 [0,1,0,0,0,0|2,0,0]=3 357 B8R1.5 C1=CC(=C(N=C1)Br)F PI-34450 [0,1,0,0,0,0|2,0,0]=3 358 B8R1.5 C1=CC(=C(N=C1)Cl)Cl PI-10112 [0,1,0,0,0,0|2,0,0]=3 359 B8R1.5 C1=CC(=C(N=C1)Cl)F PI-16375 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.5 C1=CC(=C(N=C1)Cl)I PI-11389 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [0,1,0,0,0,0|1,0,0]=2 362 B8R1.5 C1=CC(=C(N=C1)F)I PI-16040 [0,1,0,0,0,0|2,0,0]=3 363 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [0,1,0,0,0,0|2,0,0]=3 364 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [0,1,0,0,0,0|1,0,0]=2 365 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [0,1,0,0,0,0|1,0,0]=2 367 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [0,1,0,0,0,0|1,0,0]=2 368 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [0,1,0,0,0,0|1,0,0]=2 369 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [0,1,0,0,0,0|1,0,0]=2 370 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [0,1,0,0,0,0|1,0,0]=2 371 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [0,1,0,0,0,0|1,0,0]=2 372 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [0,1,0,0,0,0|0,1,0]=2 373 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [0,1,0,0,0,0|1,0,0]=2 374 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [0,1,0,0,0,0|1,0,0]=2 375 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [0,1,0,0,0,0|0,0,0]=1 376 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-10991 [0,1,0,0,0,0|1,0,1]=3 377 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-31783 [0,1,0,0,0,0|1,0,1]=3 378 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-11832 [0,1,0,0,0,0|1,0,1]=3 379 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-42568 [0,1,0,0,0,0|1,0,1]=3 380 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [0,1,0,0,0,0|3,0,0]=4 381 B8R1.5 C1=CN=C(C(=N1)Cl)Cl PI-11728 [0,1,0,0,0,0|3,0,0]=4 382 B8R1.5 C1=CN=CC(=C1Cl)Br PI-28453 [0,1,0,0,0,0|2,0,0]=3 383 B8R1.5 C1=CN=CC(=C1Cl)Cl PI-28640 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.5 C1=CN=CC(=C1Cl)F PI-10413 [0,1,0,0,0,0|2,0,0]=3 385 B8R1.5 C1=CN=CC(=C1Cl)N PI-28262 [0,1,0,0,0,0|2,0,0]=3 386 B8R1.5 C1=CN=CC(=C1I)F PI-34425 [0,1,0,0,0,0|2,0,0]=3 387 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [0,1,0,0,0,0|1,0,1]=3 388 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [0,1,0,0,0,0|1,0,1]=3 389 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [0,1,0,0,0,0|1,0,1]=3 390 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [0,1,0,0,0,0|1,1,0]=3 391 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [0,1,0,0,0,0|1,0,1]=3 392 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [0,1,0,0,0,0|2,0,0]=3 393 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [0,1,0,0,0,0|2,0,0]=3 394 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [0,1,0,0,0,0|2,0,0]=3 395 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [0,1,0,0,0,0|2,0,0]=3 396 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [0,1,0,0,0,0|2,0,0]=3 397 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [0,1,0,0,0,0|1,0,0]=2 398 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [0,1,0,0,0,0|2,0,0]=3 399 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [0,1,0,0,0,0|2,0,0]=3 400 B8R1.5 CC1=CC=CC=C1I PI-10980 [0,1,0,0,0,0|1,0,0]=2 401 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [0,1,0,0,0,0|2,0,0]=3 402 B8R1.5 CC1=NC=CN=C1C PI-11734 [0,1,0,0,0,0|3,0,0]=4 403 B8R1.5 CC1=NC=CN=C1Cl PI-11816 [0,1,0,0,0,0|3,0,0]=4 404 B8R1.5 CC1=NC=CNC1=O PI-40998 [0,1,0,0,0,0|2,0,1]=4 405 B8R1.5 Cc1ccccc1F PI-34118 [0,1,0,0,0,0|1,0,0]=2 406 B8R1.5 Cc1cccnc1Br PI-28405 [0,1,0,0,0,0|2,0,0]=3 407 B8R1.5 Cc1cccnc1Cl PI-33878 [0,1,0,0,0,0|2,0,0]=3 408 B8R1.5 Cc1ccncc1Br PI-23509 [0,1,0,0,0,0|2,0,0]=3 409 B8R1.5 Cc1ccncc1N PI-24336 [0,1,0,0,0,0|2,0,0]=3 410 B8R1.5 Cc1ccnnc1Cl PI-34083 [0,1,0,0,0,0|3,0,0]=4 411 B8R1.5 Cc1cnccc1Br PI-33360 [0,1,0,0,0,0|2,0,0]=3 412 B8R1.5 Cc1cnccc1O PI-38275 [0,1,0,0,0,0|1,0,0]=2 413 B8R1.5 ClC1=CC=NN=C1Cl PI-37111 [0,1,0,0,0,0|3,0,0]=4 414 B8R1.5 Clc1cccc[n+]1C PI-17309 [0,1,0,0,0,0|2,0,0]=3 415 B8R1.5 Clc1ncncc1Cl PI-31681 [0,1,0,0,0,0|3,0,0]=4 416 B8R1.5 FC1=NC=CC=C1Br PI-34449 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.5 Fc1ccccc1Br PI-33063 [0,1,0,0,0,0|1,0,0]=2 418 B8R1.5 Fc1ccccc1F PI-11671 [0,1,0,0,0,0|1,0,0]=2 419 B8R1.5 Fc1cnccc1Br PI-10110 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.5 Fc1ncccc1F PI-16764 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.5 IC1=CC=CC=C1Br PI-21523 [0,1,0,0,0,0|1,0,0]=2 422 B8R1.5 IC1=CC=CC=C1I PI-21274 [0,1,0,0,0,0|1,0,0]=2 423 B8R1.5 Ic1cccnc1N PI-36512 [0,1,0,0,0,0|2,0,0]=3 424 B8R1.5 Ic1cncnc1Cl PI-39068 [0,1,0,0,0,0|3,0,0]=4 425 B8R1.5 NC1=C(C=NC=C1)F PI-40470 [0,1,0,0,0,0|2,0,0]=3 426 B8R1.5 Nc1cccnc1C PI-13066 [0,1,0,0,0,0|2,0,0]=3 427 B8R1.5 Nc1cccnc1Cl PI-24529 [0,1,0,0,0,0|2,0,0]=3 428 B8R1.5 Nc1cccnc1N PI-10159 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.5 Nc1ccncc1Br PI-16045 [0,1,0,0,0,0|2,0,0]=3 430 B8R1.5 Nc1cnccc1I PI-36511 [0,1,0,0,0,0|2,0,0]=3 431 B8R1.5 Nc1cnccc1N PI-16569 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.5 Nc1cncnc1Cl PI-38851 [0,1,0,0,0,0|3,0,0]=4 433 B8R1.5 Nc1nccnc1Br PI-38204 [0,1,0,0,0,0|3,0,0]=4 434 B8R1.5 Nc1nccnc1Cl PI-38205 [0,1,0,0,0,0|3,0,0]=4 435 B8R1.5 Nc1ncncc1N PI-21323 [0,1,0,0,0,0|3,0,0]=4 436 B8R1.5 O=c1[nH]cccc1C PI-16687 [0,1,0,0,0,0|1,0,1]=3 437 B8R1.5 O=c1ccccn1C PI-10985 [0,1,0,0,0,0|1,0,1]=3 438 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [0,1,0,0,0,0|0,0,0]=1 439 B8R1.5 OC1=NC=CC=C1Br PI-37057 [0,1,0,0,0,0|1,0,0]=2 440 B8R1.5 Oc1ccccc1Br PI-10952 [0,1,0,0,0,0|0,0,0]=1 441 B8R1.5 Oc1ccccc1O PI-31351 [0,1,0,0,0,0|0,0,0]=1 442 B8R1.5 Oc1ccccc1S PI-20878 [0,1,0,0,0,0|0,0,0]=1 443 B8R1.5 Oc1cccnc1Br PI-16727 [0,1,0,0,0,0|1,0,0]=2 444 B8R1.5 Oc1cccnc1C PI-13315 [0,1,0,0,0,0|1,0,0]=2 445 B8R1.5 Oc1cccnc1N PI-16260 [0,1,0,0,0,0|1,0,0]=2 446 B8R1.5 Oc1ccncc1Br PI-38971 [0,1,0,0,0,0|1,0,0]=2 447 B8R1.5 Oc1ncccc1O PI-11386 [0,1,0,0,0,0|1,0,0]=2 448 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15322 [0,1,0,0,0,0|1,0,1]=3 449 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15323 [0,1,0,0,0,0|1,0,1]=3 450 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,0,1,0,0,0|2,0,1]=4 451 B6R0.4 CC=CCC(=O)O PI-47130 [0,0,1,0,0,0|1,0,2]=4 452 B6R0.6 CC=CC=CCO PI-24146 [0,0,1,0,0,0|0,0,2]=3 453 B8R2.34 C12C=CC(C1)C=C2 PI-39675 [0,0,0,1,0,0|1,0,2]=4 454 B6R1.2 Brc1c[nH]cn1 PI-31938 [0,0,0,0,1,0|3,0,0]=4 455 B6R1.2 Brc1ccco1 PI-14449 [0,0,0,0,1,0|2,0,0]=3 456 B6R1.2 Brc1cccs1 PI-11144 [0,0,0,0,1,0|2,0,0]=3 457 B6R1.2 Brc1cscc1 PI-10760 [0,0,0,0,1,0|2,0,0]=3 458 B6R1.2 Brc1cscn1 PI-38310 [0,0,0,0,1,0|3,0,0]=4 459 B6R1.2 Brc1ncc[nH]1 PI-39207 [0,0,0,0,1,0|3,0,0]=4 460 B6R1.2 C1=C(C=NN1)Br PI-31345 [0,0,0,0,1,0|3,0,0]=4 461 B6R1.2 C1=C(C=NN1)Cl PI-33036 [0,0,0,0,1,0|3,0,0]=4 462 B6R1.2 C1=C(C=NN1)I PI-21303 [0,0,0,0,1,0|3,0,0]=4 463 B6R1.2 C1=C(C=NO1)Br PI-39735 [0,0,0,0,1,0|3,0,0]=4 464 B6R1.2 C1=C(NN=C1)N PI-10514 [0,0,0,0,1,0|3,0,0]=4 465 B6R1.2 C1=C(ON=C1)N PI-34865 [0,0,0,0,1,0|3,0,0]=4 466 B6R1.2 C1=C(SC=N1)Br PI-45402 [0,0,0,0,1,0|3,0,0]=4 467 B6R1.2 C1=CN=C(N1)N PI-11170 [0,0,0,0,1,0|3,0,0]=4 468 B6R1.2 C1=CN=C(N1)N PI-45241 [0,0,0,0,1,0|3,0,0]=4 469 B6R1.2 C1=CN=C(N1)N PI-45281 [0,0,0,0,1,0|3,0,0]=4 470 B6R1.2 C1=CNC=C1F PI-49258 [0,0,0,0,1,0|2,0,0]=3 471 B6R1.2 C1=CSC(=N1)Br PI-11814 [0,0,0,0,1,0|3,0,0]=4 472 B6R1.2 C1=CSC=C1F PI-49323 [0,0,0,0,1,0|2,0,0]=3 473 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,0,1,0|1,0,2]=4 474 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,0,1,0|2,0,0]=3 475 B6R1.2 CC1=CN=CN1 PI-44758 [0,0,0,0,1,0|3,0,0]=4 476 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,0,1,0|2,0,0]=3 477 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,0,0,0,1,0|3,0,0]=4 478 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,0,0,0,1,0|3,0,0]=4 479 B6R1.2 Cc1cncs1 PI-33497 [0,0,0,0,1,0|3,0,0]=4 480 B6R1.2 Cc1nccs1 PI-11132 [0,0,0,0,1,0|3,0,0]=4 481 B6R1.2 ClC1=CSC=C1 PI-11160 [0,0,0,0,1,0|2,0,0]=3 482 B6R1.2 Clc1ncc[nH]1 PI-20136 [0,0,0,0,1,0|3,0,0]=4 483 B6R1.2 Clc1nccs1 PI-39297 [0,0,0,0,1,0|3,0,0]=4 484 B6R1.2 Cn1cccn1 PI-37584 [0,0,0,0,1,0|3,0,0]=4 485 B6R1.2 Cn1cncc1 PI-31809 [0,0,0,0,1,0|3,0,0]=4 486 B6R1.2 Ic1c[nH]cn1 PI-31936 [0,0,0,0,1,0|3,0,0]=4 487 B6R1.2 Ic1cc[nH]n1 PI-39060 [0,0,0,0,1,0|3,0,0]=4 488 B6R1.2 Ic1cccs1 PI-11145 [0,0,0,0,1,0|2,0,0]=3 489 B6R1.2 NC1=CN=CS1 PI-33967 [0,0,0,0,1,0|3,0,0]=4 490 B6R1.2 NC1=NC=CO1 PI-40002 [0,0,0,0,1,0|3,0,0]=4 491 B6R1.2 NC1=NOC=C1 PI-13009 [0,0,0,0,1,0|3,0,0]=4 492 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,0,1,0|0,0,3]=4 493 B6R1.2 O=c1occo1 PI-15331 [0,0,0,0,1,0|2,0,1]=4 494 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,0,1,0|0,0,3]=4 495 B6R1.2 Sc1cccs1 PI-27908 [0,0,0,0,1,0|1,1,0]=3 496 B6R1.2 Sc1nccs1 PI-11130 [0,0,0,0,1,0|2,1,0]=4 497 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,1,0,0,0|1,0,1]=4 498 B5R0.3 C=CC(C=C)O PI-44995 [1,0,1,0,0,0|0,0,1]=3 499 B7R0.7 C=CCC(CC=C)O PI-46529 [0,1,1,0,0,0|0,0,2]=4 500 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,1,1,0,0,0|0,0,2]=4 501 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [0,1,1,0,0,0|1,0,1]=4 502 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,1,1,0,0,0|1,0,1]=4 503 B7R1.1 BrCc1cscc1 PI-14311 [0,1,0,0,1,0|2,0,0]=4 504 B7R1.1 C#CC1=CC=CS1 PI-44556 [0,1,0,0,1,0|2,0,0]=4 505 B7R1.1 C#Cc1cscc1 PI-39299 [0,1,0,0,1,0|2,0,0]=4 506 B7R1.1 C1=C(NC=N1)CO PI-31940 [0,1,0,0,1,0|2,0,0]=4 507 B7R1.1 C1=C(SC=N1)CO PI-12202 [0,1,0,0,1,0|2,0,0]=4 508 B7R1.1 C1=CNC=C1C=O PI-34088 [0,1,0,0,1,0|1,0,1]=4 509 B7R1.1 C1=COC(=C1)CS PI-48474 [0,1,0,0,1,0|1,1,0]=4 510 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,1,0,0,1,0|1,0,1]=4 511 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,1,0,0,1,0|2,0,0]=4 512 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,1,0,0,1,0|1,0,0]=3 513 B7R1.1 C1=CSC=C1C#N PI-20214 [0,1,0,0,1,0|2,0,0]=4 514 B7R1.1 C1=CSC=C1CN PI-31789 [0,1,0,0,1,0|2,0,0]=4 515 B7R1.1 C1=N[NH]C=C1CO PI-39407 [0,1,0,0,1,0|2,0,0]=4 516 B7R1.1 CCC1=CC=CS1 PI-10993 [0,1,0,0,1,0|2,0,0]=4 517 B7R1.1 CCC1=CSC=C1 PI-35073 [0,1,0,0,1,0|2,0,0]=4 518 B7R1.1 CCN1C=CC=C1 PI-12065 [0,1,0,0,1,0|2,0,0]=4 519 B7R1.1 COC1=NC=CS1 PI-11131 [0,1,0,0,1,0|2,0,0]=4 520 B7R1.1 COc1cccs1 PI-33573 [0,1,0,0,1,0|1,0,0]=3 521 B7R1.1 COc1cscc1 PI-27269 [0,1,0,0,1,0|1,0,0]=3 522 B7R1.1 CSC1=CSC=C1 PI-29322 [0,1,0,0,1,0|1,1,0]=4 523 B7R1.1 N#Cc1cccs1 PI-10787 [0,1,0,0,1,0|2,0,0]=4 524 B7R1.1 NCc1cccs1 PI-11152 [0,1,0,0,1,0|2,0,0]=4 525 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,1,0,0,1,0|1,0,1]=4 526 B7R1.1 O=Cc1cscc1 PI-10763 [0,1,0,0,1,0|1,0,1]=4 527 B7R1.1 OCC1=NC=CN1 PI-36879 [0,1,0,0,1,0|2,0,0]=4 528 B7R1.1 OCc1c[nH]cn1 PI-27482 [0,1,0,0,1,0|2,0,0]=4 529 B7R1.1 OCc1cnco1 PI-38536 [0,1,0,0,1,0|2,0,0]=4 530 B7R1.1 OCc1cscc1 PI-29874 [0,1,0,0,1,0|1,0,0]=3 531 B7R1.1 OCc1cscn1 PI-25015 [0,1,0,0,1,0|2,0,0]=4 532 B7R1.1 OCc1nccs1 PI-38807 [0,1,0,0,1,0|2,0,0]=4 533 B7R1.2 Brc1ccc(Br)o1 PI-17239 [0,1,0,0,1,0|2,0,0]=4 534 B7R1.2 C1=C(Br)SC(=C1)Br PI-11156 [0,1,0,0,1,0|2,0,0]=4 535 B7R1.2 C1=C(N=C(S1)N)O PI-45401 [0,1,0,0,1,0|2,0,0]=4 536 B7R1.2 C1=C(SC(=C1)Br)Cl PI-20666 [0,1,0,0,1,0|2,0,0]=4 537 B7R1.2 C1=C(SC(=C1)Br)N PI-45449 [0,1,0,0,1,0|2,0,0]=4 538 B7R1.2 C1=C(SC(=C1)Cl)Cl PI-11157 [0,1,0,0,1,0|2,0,0]=4 539 B7R1.2 C1=C(SC(=C1)I)I PI-21280 [0,1,0,0,1,0|2,0,0]=4 540 B7R1.2 C1=C(SC=C1Br)Br PI-26554 [0,1,0,0,1,0|2,0,0]=4 541 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,0,1,0|0,0,2]=4 542 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,1,0,0,1,0|2,0,0]=4 543 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,1,0,0,1,0|2,0,0]=4 544 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,1,0,0,1,0|2,0,0]=4 545 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,0,1,0|2,0,0]=4 546 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,1,0,0,1,0|2,0,0]=4 547 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,1,0,0,1,0|2,0,0]=4 548 B7R1.2 Cc1scc(c1)C PI-29816 [0,1,0,0,1,0|2,0,0]=4 549 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,1,0,0,1,0|1,0,1]=4 550 B7R1.4 Brc1cocc1Br PI-19445 [0,1,0,0,1,0|2,0,0]=4 551 B7R1.4 Brc1cscc1Br PI-10758 [0,1,0,0,1,0|2,0,0]=4 552 B7R1.4 Brc1cscc1C PI-39112 [0,1,0,0,1,0|2,0,0]=4 553 B7R1.4 Brc1sccc1Br PI-11154 [0,1,0,0,1,0|2,0,0]=4 554 B7R1.4 C1=C(C(=CN1)F)F PI-49257 [0,1,0,0,1,0|2,0,0]=4 555 B7R1.4 C1=C(C(=CS1)F)F PI-49324 [0,1,0,0,1,0|2,0,0]=4 556 B7R1.4 C1=C(C(=CS1)N)N PI-45454 [0,1,0,0,1,0|2,0,0]=4 557 B7R1.4 C1=COC(=C1Br)Br PI-17204 [0,1,0,0,1,0|2,0,0]=4 558 B7R1.4 C1=CSC(=C1Br)Cl PI-11159 [0,1,0,0,1,0|2,0,0]=4 559 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,1,0,0,1,0|2,0,0]=4 560 B7R1.4 CC1=CSC=C1C PI-35053 [0,1,0,0,1,0|2,0,0]=4 561 B7R1.4 Cc1ccsc1Br PI-10990 [0,1,0,0,1,0|2,0,0]=4 562 B7R1.4 Clc1sccc1Cl PI-26200 [0,1,0,0,1,0|2,0,0]=4 563 B7R1.4 Cn1nccc1O PI-37212 [0,1,0,0,1,0|2,0,0]=4 564 B7R1.4 Oc1cscc1O PI-33661 [0,1,0,0,1,0|1,0,0]=3 565 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,1,0,0,1,0|1,1,0]=4 566 B9R1.5 Oc1cccccc1=O PI-12283 [0,1,0,0,0,1|0,0,0]=2 567 B9R1.1 BrC1=NC=C(N=C1)OC PI-35953 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.1 C1=C(C=NC(=N1)N)CO PI-45149 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [0,2,0,0,0,0|0,0,1]=3 578 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [0,2,0,0,0,0|0,0,1]=3 579 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [0,2,0,0,0,0|1,0,0]=3 580 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [0,2,0,0,0,0|1,0,0]=3 581 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [0,2,0,0,0,0|0,0,0]=2 584 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [0,2,0,0,0,0|0,0,0]=2 585 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [0,2,0,0,0,0|0,0,0]=2 586 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [0,2,0,0,0,0|0,1,0]=3 587 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.1 C1=CC(=NC=C1Br)C#N PI-23441 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.1 C1=CC(=NC=C1Br)NN PI-35293 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.1 C1=CC(=NC=C1C#N)Br PI-16041 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [0,2,0,0,0,0|1,0,1]=4 598 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [0,2,0,0,0,0|1,0,1]=4 599 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.1 C1=CC(=NC=C1Cl)C#N PI-10169 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.1 C1=CC(=NC=C1F)C#N PI-40473 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.1 C1=CC(=NC=C1N)C#N PI-13117 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.1 C1=C[N+](=CC=C1C#N)[O-] PI-11388 [0,2,0,0,0,0|1,0,1]=4 606 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [0,2,0,0,0,0|1,0,0]=3 612 B9R1.1 CC1=CN=C(C=C1)C#N PI-38220 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [0,2,0,0,0,0|1,0,0]=3 617 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [0,2,0,0,0,0|0,1,0]=3 618 B9R1.1 CCc1ccc(C)cc1 PI-36542 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.1 CNc1ccc(cc1)Br PI-21585 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [0,2,0,0,0,0|0,0,0]=2 625 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [0,2,0,0,0,0|0,0,0]=2 626 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.1 COC1=CN=C(N=C1)Br PI-45086 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.1 COC1=CN=C(N=C1)Cl PI-45011 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [0,2,0,0,0,0|1,0,0]=3 630 B9R1.1 COC1=NC=C(C=N1)Br PI-31943 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.1 COC1=NC=C(C=N1)I PI-45092 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.1 COC1=NN=C(C=C1)Cl PI-30210 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [0,2,0,0,0,0|0,0,0]=2 635 B9R1.1 COc1ccc(N)cn1 PI-16695 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.1 COc1ccc(O)cn1 PI-26700 [0,2,0,0,0,0|1,0,0]=3 637 B9R1.1 COc1ccc(cc1)Br PI-34196 [0,2,0,0,0,0|0,0,0]=2 638 B9R1.1 COc1ccc(cc1)I PI-33808 [0,2,0,0,0,0|0,0,0]=2 639 B9R1.1 COc1ccc(cc1)O PI-31355 [0,2,0,0,0,0|0,0,0]=2 640 B9R1.1 COc1ccc(cn1)Br PI-22840 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [0,2,0,0,0,0|0,1,0]=3 642 B9R1.1 CSc1ccc(cc1)O PI-18075 [0,2,0,0,0,0|0,0,0]=2 643 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [0,2,0,0,0,0|1,0,0]=3 647 B9R1.1 N#Cc1ccc(Cl)nc1 PI-16032 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.1 N#Cc1ccc(N)nc1 PI-28520 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [0,2,0,0,0,0|0,0,0]=2 651 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [0,2,0,0,0,0|0,1,0]=3 652 B9R1.1 NCc1ccc(F)cc1 PI-11985 [0,2,0,0,0,0|1,0,0]=3 653 B9R1.1 NCc1ccc(cc1)Br PI-20544 [0,2,0,0,0,0|1,0,0]=3 654 B9R1.1 NCc1ccc(cc1)Br PI-38542 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.1 NNc1ccc(C)cc1 PI-13126 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [0,2,0,0,0,0|1,0,1]=4 658 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [0,2,0,0,0,0|1,0,1]=4 659 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [0,2,0,0,0,0|0,0,1]=3 660 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [0,2,0,0,0,0|0,0,1]=3 661 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [0,2,0,0,0,0|0,0,0]=2 662 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.1 OCc1ccc(S)cc1 PI-35674 [0,2,0,0,0,0|0,0,0]=2 664 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [0,2,0,0,0,0|0,0,0]=2 665 B9R1.1 OCc1ccc(cc1)I PI-33685 [0,2,0,0,0,0|0,0,0]=2 666 B9R1.1 OCc1ccc(cc1)O PI-29788 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.1 OCc1ccc(cn1)Br PI-10546 [0,2,0,0,0,0|1,0,0]=3 668 B9R1.1 OCc1cnc(cn1)Cl PI-39045 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.1 OCc1cnc(nc1)C PI-32943 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [0,2,0,0,0,0|1,0,0]=3 671 B9R1.2 BrCc1cccc(I)c1 PI-29628 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.2 BrCc1cccc(c1)Br PI-13393 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [0,2,0,0,0,0|1,0,1]=4 675 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [0,2,0,0,0,0|1,0,0]=3 676 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [0,2,0,0,0,0|1,0,0]=3 679 B9R1.2 C1=C(C=NC=C1Br)C#N PI-21589 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [0,2,0,0,0,0|1,0,0]=3 682 B9R1.2 C1=C(C=NC=C1F)NN PI-48989 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.2 C1=C(C=NC=C1N)C#N PI-36516 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [0,2,0,0,0,0|1,0,0]=3 686 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [0,2,0,0,0,0|0,0,0]=2 687 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [0,2,0,0,0,0|1,0,0]=3 688 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [0,2,0,0,0,0|1,0,0]=3 689 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [0,2,0,0,0,0|1,0,0]=3 691 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [0,2,0,0,0,0|0,0,0]=2 692 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [0,2,0,0,0,0|1,0,0]=3 693 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [0,2,0,0,0,0|0,0,1]=3 694 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [0,2,0,0,0,0|0,0,1]=3 695 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [0,2,0,0,0,0|0,0,0]=2 696 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [0,2,0,0,0,0|0,0,0]=2 697 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [0,2,0,0,0,0|0,0,0]=2 698 B9R1.2 C1=CC(=C[N+](=C1)[O-])C#N PI-30158 [0,2,0,0,0,0|1,0,1]=4 699 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [0,2,0,0,0,0|1,0,1]=4 700 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [0,2,0,0,0,0|2,0,0]=4 701 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [0,2,0,0,0,0|1,0,0]=3 703 B9R1.2 C1=CC(=NC(=C1)Br)NN PI-34719 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.2 C1=CN=C(C=C1C#N)Br PI-38893 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.2 C1=CN=C(C=C1Cl)C#N PI-40241 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [0,2,0,0,0,0|1,0,0]=3 713 B9R1.2 C=Cc1cccc(c1)C PI-40767 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [0,2,0,0,0,0|0,0,1]=3 715 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [0,2,0,0,0,0|1,0,0]=3 716 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [0,2,0,0,0,0|1,0,1]=4 717 B9R1.2 CC1=CC(=NC=C1)C#N PI-11834 [0,2,0,0,0,0|2,0,0]=4 718 B9R1.2 CC1=CC=CC(=N1)C#N PI-44998 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [0,2,0,0,0,0|1,0,1]=4 721 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.2 CC1=NC=CC(=N1)OC PI-44930 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.2 CCc1cccc(N)n1 PI-30318 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.2 CCc1ccnc(c1)N PI-30483 [0,2,0,0,0,0|2,0,0]=4 728 B9R1.2 CNc1cccc(c1)F PI-29299 [0,2,0,0,0,0|1,0,0]=3 729 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [0,2,0,0,0,0|0,0,0]=2 730 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [0,2,0,0,0,0|0,0,0]=2 731 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [0,2,0,0,0,0|1,0,0]=3 732 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.2 COC1=CC(=NC=N1)Cl PI-16342 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [0,2,0,0,0,0|1,0,0]=3 735 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [0,2,0,0,0,0|0,0,0]=2 736 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [0,2,0,0,0,0|0,0,0]=2 737 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [0,2,0,0,0,0|1,0,0]=3 738 B9R1.2 COC1=NC(=NC=C1)Br PI-45082 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.2 COC1=NC(=NC=C1)Cl PI-45081 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.2 COC1=NC=CC(Br)=N1 PI-46750 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.2 COC1=NC=NC(=C1)N PI-11959 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.2 COc1cc(Br)cnc1 PI-38259 [0,2,0,0,0,0|1,0,0]=3 744 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [0,2,0,0,0,0|1,0,0]=3 745 B9R1.2 COc1cc(N)ccn1 PI-26277 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.2 COc1cc(N)cnc1 PI-33855 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.2 COc1cccc(c1)O PI-34658 [0,2,0,0,0,0|0,0,0]=2 748 B9R1.2 COc1ccnc(I)n1 PI-36437 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [0,2,0,0,0,0|0,1,0]=3 750 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [0,2,0,0,0,0|0,1,0]=3 751 B9R1.2 CSc1cccc(c1)N PI-11908 [0,2,0,0,0,0|0,1,0]=3 752 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [0,2,0,0,0,0|1,0,1]=4 753 B9R1.2 Clc1cccc(c1)C#N PI-31301 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.2 Fc1cc(cnc1)C#N PI-38882 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [0,2,0,0,0,0|1,0,0]=3 757 B9R1.2 N#Cc1cccc(c1)I PI-10114 [0,2,0,0,0,0|1,0,0]=3 758 B9R1.2 N#Cc1cccc(n1)Br PI-44992 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.2 N#Cc1ccnc(Cl)c1 PI-10231 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.2 N#Cc1ccnc(N)c1 PI-10170 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.2 N#Cc1ccnc(O)c1 PI-20781 [0,2,0,0,0,0|1,0,0]=3 762 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [0,2,0,0,0,0|2,0,0]=4 763 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.2 NCc1cccc(c1)Br PI-21372 [0,2,0,0,0,0|1,0,0]=3 765 B9R1.2 NCc1cccc(c1)Br PI-38545 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.2 NCc1cccc(c1)F PI-23480 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.2 NNc1cccc(Cl)n1 PI-34718 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.2 NNc1cccc(c1)Br PI-29422 [0,2,0,0,0,0|1,0,0]=3 769 B9R1.2 NNc1cccc(c1)C PI-29814 [0,2,0,0,0,0|1,0,0]=3 770 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [0,2,0,0,0,0|0,0,1]=3 771 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [0,2,0,0,0,0|0,0,1]=3 772 B9R1.2 O=Cc1cccc(c1)F PI-11925 [0,2,0,0,0,0|0,0,1]=3 773 B9R1.2 O=Cc1cccc(c1)N PI-11906 [0,2,0,0,0,0|0,0,1]=3 774 B9R1.2 O=Cc1cccc(c1)O PI-34273 [0,2,0,0,0,0|0,0,0]=2 775 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [0,2,0,0,0,0|1,0,1]=4 776 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [0,2,0,0,0,0|1,0,1]=4 777 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.2 OCc1cccc(c1)C PI-38620 [0,2,0,0,0,0|0,0,0]=2 780 B9R1.2 OCc1cccc(c1)Cl PI-11919 [0,2,0,0,0,0|0,0,0]=2 781 B9R1.2 SCc1cccc(F)c1 PI-23495 [0,2,0,0,0,0|0,1,0]=3 782 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [0,2,0,0,0,0|1,0,0]=3 783 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,2,0,0,0,0|1,0,0]=3 784 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,2,0,0,0,0|1,0,1]=4 786 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,2,0,0,0,0|1,1,0]=4 788 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,2,0,0,0,0|0,0,1]=3 789 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,2,0,0,0,0|1,0,1]=4 790 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,2,0,0,0,0|1,0,1]=4 794 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,2,0,0,0,0|1,0,1]=4 795 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,2,0,0,0,0|1,1,0]=4 796 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,2,0,0,0,0|2,0,0]=4 797 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,2,0,0,0,0|1,0,1]=4 799 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,2,0,0,0,0|1,0,1]=4 800 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,2,0,0,0,0|1,0,1]=4 801 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.6 CC(c1ccccn1)N PI-38576 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.6 CC(c1ccncc1)N PI-38572 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,2,0,0,0,0|2,0,0]=4 806 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,2,0,0,0,0|0,0,0]=2 808 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,2,0,0,0,0|1,0,0]=3 809 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,2,0,0,0,0|1,0,0]=3 811 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,2,0,0,0,0|1,0,0]=3 812 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,2,0,0,0,0|0,0,0]=2 816 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.6 FC(c1ccccn1)F PI-35198 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,2,0,0,0,0|1,0,0]=3 822 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,2,0,0,0,0|1,0,1]=4 824 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,2,0,0,0,0|0,1,0]=3 825 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,2,0,0,0,0|1,0,1]=4 826 B9R1.6 OB(C1=NC=NC=C1)O PI-39710 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,2,0,0,0,0|0,0,0]=2 828 B9R1.6 OB(c1ccccn1)O PI-25302 [0,2,0,0,0,0|1,0,0]=3 829 B9R1.6 OB(c1ccncc1)O PI-16484 [0,2,0,0,0,0|1,0,0]=3 830 B9R1.6 OB(c1cncnc1)O PI-25045 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,2,0,0,0,0|1,0,0]=3 832 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,2,0,0,0,0|1,0,1]=4 834 B9R1.8 BrC#Cc1ccccc1 PI-38808 [0,2,0,0,0,0|1,0,0]=3 835 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.8 C1=CC(=CN=C1)N=C=S PI-43942 [0,2,0,0,0,0|1,1,0]=4 837 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [0,2,0,0,0,0|1,0,0]=3 838 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [0,2,0,0,0,0|0,1,0]=3 839 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [0,2,0,0,0,0|1,0,0]=3 840 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [0,2,0,0,0,0|1,0,0]=3 841 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [0,2,0,0,0,0|0,0,0]=2 842 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [0,2,0,0,0,0|2,0,0]=4 850 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [0,2,0,0,0,0|2,0,0]=4 851 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [0,2,0,0,0,0|1,0,0]=3 853 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.8 COCC1=CC=CC=C1 PI-19695 [0,2,0,0,0,0|0,0,0]=2 856 B9R1.8 COCc1ccccn1 PI-38670 [0,2,0,0,0,0|1,0,0]=3 857 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [0,2,0,0,0,0|1,0,0]=3 858 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.8 N#CCc1ccccn1 PI-16690 [0,2,0,0,0,0|2,0,0]=4 860 B9R1.8 N#CCc1cccnc1 PI-32834 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.8 N#CCc1ccncc1 PI-10376 [0,2,0,0,0,0|2,0,0]=4 862 B9R1.8 NCCc1cccnc1 PI-23439 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.8 NCCc1ccncc1 PI-15907 [0,2,0,0,0,0|2,0,0]=4 864 B9R1.8 NOCc1ccccc1 PI-11329 [0,2,0,0,0,0|0,0,0]=2 865 B9R1.8 O=C=Nc1cccnc1 PI-38566 [0,2,0,0,0,0|1,0,1]=4 866 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [0,2,0,0,0,0|0,0,0]=2 868 B9R1.8 O\N=C\c1ccccn1 PI-38007 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [0,2,0,0,0,0|1,0,1]=4 870 B9R1.15 BrCc1ccccc1Br PI-11809 [0,2,0,0,0,0|1,0,0]=3 871 B9R1.15 BrCc1ccccc1I PI-29573 [0,2,0,0,0,0|1,0,0]=3 872 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [0,2,0,0,0,0|1,0,0]=3 873 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [0,2,0,0,0,0|1,0,0]=3 874 B9R1.15 C#Cc1ccccc1Br PI-30911 [0,2,0,0,0,0|1,0,0]=3 875 B9R1.15 C1=CC(=C(N=C1)C#N)I PI-35289 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [0,2,0,0,0,0|1,0,0]=3 878 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [0,2,0,0,0,0|2,0,0]=4 879 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [0,2,0,0,0,0|1,0,0]=3 881 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [0,2,0,0,0,0|1,0,0]=3 882 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [0,2,0,0,0,0|1,0,1]=4 883 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [0,2,0,0,0,0|1,0,0]=3 884 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [0,2,0,0,0,0|1,0,1]=4 885 B9R1.15 C1=CC(=C(N=C1)N)C#N PI-28310 [0,2,0,0,0,0|2,0,0]=4 886 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [0,2,0,0,0,0|2,0,0]=4 887 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [0,2,0,0,0,0|0,0,1]=3 889 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [0,2,0,0,0,0|1,0,0]=3 890 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [0,2,0,0,0,0|1,0,0]=3 892 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [0,2,0,0,0,0|1,0,0]=3 893 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [0,2,0,0,0,0|1,0,0]=3 894 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [0,2,0,0,0,0|1,0,0]=3 895 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [0,2,0,0,0,0|0,0,0]=2 896 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [0,2,0,0,0,0|0,0,0]=2 897 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [0,2,0,0,0,0|0,0,0]=2 898 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [0,2,0,0,0,0|0,1,0]=3 899 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [0,2,0,0,0,0|0,1,0]=3 900 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [0,2,0,0,0,0|1,0,0]=3 901 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [0,2,0,0,0,0|1,0,0]=3 904 B9R1.15 C1=CN=CC(=C1C#N)Cl PI-32517 [0,2,0,0,0,0|2,0,0]=4 905 B9R1.15 C1=CN=CC(=C1C#N)N PI-35285 [0,2,0,0,0,0|2,0,0]=4 906 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [0,2,0,0,0,0|1,0,0]=3 907 B9R1.15 C1=CN=CC(=C1Cl)C#N PI-48248 [0,2,0,0,0,0|2,0,0]=4 908 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [0,2,0,0,0,0|1,0,0]=3 909 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [0,2,0,0,0,0|1,0,1]=4 910 B9R1.15 C1=CNC(=O)C(=C1)C#N PI-35286 [0,2,0,0,0,0|1,0,1]=4 911 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [0,2,0,0,0,0|1,0,0]=3 912 B9R1.15 C=Cc1ccccc1F PI-33746 [0,2,0,0,0,0|1,0,0]=3 913 B9R1.15 CC1=C(N=CC=C1)C#N PI-16162 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [0,2,0,0,0,0|0,0,1]=3 915 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [0,2,0,0,0,0|1,0,0]=3 916 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [0,2,0,0,0,0|1,0,0]=3 917 B9R1.15 CCC1=CC=CC=C1I PI-19242 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [0,2,0,0,0,0|2,0,0]=4 919 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [0,2,0,0,0,0|2,0,0]=4 920 B9R1.15 CCc1ccccc1C PI-36541 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.15 CNC1=CC=CC=C1F PI-28236 [0,2,0,0,0,0|1,0,0]=3 922 B9R1.15 CNC1=CC=CC=C1N PI-23401 [0,2,0,0,0,0|1,0,0]=3 923 B9R1.15 CNC1=CC=CC=C1N PI-28564 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.15 CNc1cccnc1Cl PI-32645 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [0,2,0,0,0,0|1,0,0]=3 926 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [0,2,0,0,0,0|1,0,0]=3 927 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.15 COC1=CC=CC=C1Br PI-34200 [0,2,0,0,0,0|0,0,0]=2 929 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [0,2,0,0,0,0|0,0,0]=2 930 B9R1.15 COC1=CC=CC=C1F PI-12348 [0,2,0,0,0,0|0,0,0]=2 931 B9R1.15 COC1=CC=CC=C1I PI-50209 [0,2,0,0,0,0|0,0,0]=2 932 B9R1.15 COC1=NC=NC=C1Br PI-45125 [0,2,0,0,0,0|2,0,0]=4 933 B9R1.15 COC1=NC=NC=C1Cl PI-45151 [0,2,0,0,0,0|2,0,0]=4 934 B9R1.15 COc1ccc[nH]c1=O PI-26288 [0,2,0,0,0,0|1,0,0]=3 935 B9R1.15 COc1ccccc1S PI-21364 [0,2,0,0,0,0|0,0,0]=2 936 B9R1.15 COc1cccnc1Br PI-26342 [0,2,0,0,0,0|1,0,0]=3 937 B9R1.15 COc1cccnc1Cl PI-27671 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.15 COc1cncnc1Cl PI-36368 [0,2,0,0,0,0|2,0,0]=4 939 B9R1.15 COc1nccnc1C PI-11042 [0,2,0,0,0,0|2,0,0]=4 940 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [0,2,0,0,0,0|0,1,0]=3 941 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [0,2,0,0,0,0|0,1,0]=3 942 B9R1.15 CSC1=CC=CC=C1F PI-11849 [0,2,0,0,0,0|0,1,0]=3 943 B9R1.15 CSC1=CC=CC=C1O PI-20874 [0,2,0,0,0,0|0,0,0]=2 944 B9R1.15 CSc1ccccc1I PI-13705 [0,2,0,0,0,0|0,1,0]=3 945 B9R1.15 N#Cc1ccccc1Br PI-11808 [0,2,0,0,0,0|1,0,0]=3 946 B9R1.15 N#Cc1ccccc1Cl PI-34735 [0,2,0,0,0,0|1,0,0]=3 947 B9R1.15 N#Cc1ccccc1F PI-27555 [0,2,0,0,0,0|1,0,0]=3 948 B9R1.15 N#Cc1ccccc1N PI-11517 [0,2,0,0,0,0|1,0,0]=3 949 B9R1.15 N#Cc1ccccc1O PI-11836 [0,2,0,0,0,0|0,0,0]=2 950 B9R1.15 N#Cc1cccnc1Cl PI-16699 [0,2,0,0,0,0|2,0,0]=4 951 B9R1.15 N#Cc1cccnc1F PI-24385 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.15 N#Cc1ccncc1F PI-32520 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.15 N#Cc1cnccc1Br PI-35912 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.15 N#Cc1cnccc1C PI-16376 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.15 N#Cc1cncnc1O PI-31680 [0,2,0,0,0,0|2,0,0]=4 956 B9R1.15 N#Cc1ncccc1Br PI-32202 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.15 N#Cc1ncccc1Cl PI-32518 [0,2,0,0,0,0|2,0,0]=4 958 B9R1.15 N#Cc1ncccc1F PI-32519 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.15 NC1=NC=CC=C1OC PI-39996 [0,2,0,0,0,0|1,0,0]=3 960 B9R1.15 NCc1ccccc1Br PI-38543 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.15 NCc1ncccc1C PI-36263 [0,2,0,0,0,0|2,0,0]=4 962 B9R1.15 NNc1ccccc1C PI-29808 [0,2,0,0,0,0|1,0,0]=3 963 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [0,2,0,0,0,0|1,0,1]=4 964 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [0,2,0,0,0,0|0,0,1]=3 965 B9R1.15 O=Cc1ccccc1Cl PI-34387 [0,2,0,0,0,0|0,0,1]=3 966 B9R1.15 O=Cc1ccccc1F PI-27600 [0,2,0,0,0,0|0,0,1]=3 967 B9R1.15 O=Cc1cccnc1N PI-15940 [0,2,0,0,0,0|1,0,1]=4 968 B9R1.15 O=Cc1cnccc1Br PI-36813 [0,2,0,0,0,0|1,0,1]=4 969 B9R1.15 OCc1ccccc1F PI-28537 [0,2,0,0,0,0|0,0,0]=2 970 B9R1.15 OCc1ccccc1O PI-36548 [0,2,0,0,0,0|0,0,0]=2 971 B9R1.15 OCc1cccnc1N PI-33953 [0,2,0,0,0,0|1,0,0]=3 972 B9R1.15 SCc1ccccc1F PI-23494 [0,2,0,0,0,0|0,1,0]=3 973 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [0,2,0,0,0,0|1,0,0]=3 975 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.69 Brc1ccc(=O)n(C)c1 PI-35908 [0,2,0,0,0,0|1,0,1]=4 977 B9R1.69 Brc1ccc(N)c(Br)n1 PI-10325 [0,2,0,0,0,0|2,0,0]=4 978 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [0,2,0,0,0,0|1,0,0]=3 979 B9R1.69 Brc1ccc(N)c(N)c1 PI-34413 [0,2,0,0,0,0|1,0,0]=3 980 B9R1.69 Brc1ccc(c(c1)Br)F PI-28149 [0,2,0,0,0,0|1,0,0]=3 981 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [0,2,0,0,0,0|1,0,0]=3 982 B9R1.69 Brc1ccc(c(c1)F)Br PI-20968 [0,2,0,0,0,0|1,0,0]=3 983 B9R1.69 Brc1ccc(c(c1)F)Cl PI-28679 [0,2,0,0,0,0|1,0,0]=3 984 B9R1.69 Brc1ccc(c(c1)F)F PI-10759 [0,2,0,0,0,0|1,0,0]=3 985 B9R1.69 Brc1ccc(c(c1)F)O PI-31106 [0,2,0,0,0,0|0,0,0]=2 986 B9R1.69 Brc1ccc(c(c1)N)F PI-21432 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [0,2,0,0,0,0|0,0,0]=2 988 B9R1.69 Brc1cnc(Br)c(C)c1 PI-16819 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.69 Brc1cnc(c(c1)F)Br PI-36814 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.69 Brc1cnc(c(c1)F)Cl PI-36963 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.69 Brc1cnc(c(c1)F)N PI-36949 [0,2,0,0,0,0|2,0,0]=4 992 B9R1.69 Brc1ncc(N)c(C)c1 PI-20000 [0,2,0,0,0,0|2,0,0]=4 993 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [0,2,0,0,0,0|0,0,0]=2 994 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [0,2,0,0,0,0|0,0,0]=2 995 B9R1.69 C1=C(C(=CN=C1Br)N)N PI-44067 [0,2,0,0,0,0|2,0,0]=4 996 B9R1.69 C1=C(C(=CN=C1Cl)Br)Cl PI-43244 [0,2,0,0,0,0|2,0,0]=4 997 B9R1.69 C1=C(C(=CN=C1Cl)F)I PI-34441 [0,2,0,0,0,0|2,0,0]=4 998 B9R1.69 C1=C(C(=CN=C1Cl)I)F PI-48142 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.69 C1=C(C(=CN=C1Cl)I)N PI-50551 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.69 C1=C(C(=CN=C1Cl)N)Cl PI-48149 [0,2,0,0,0,0|2,0,0]=4 1001 B9R1.69 C1=C(C(=CN=C1Cl)O)N PI-43996 [0,2,0,0,0,0|1,0,0]=3 1002 B9R1.69 C1=C(C(=CN=C1F)Cl)I PI-34438 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.69 C1=C(C(=CN=C1N)Br)F PI-45767 [0,2,0,0,0,0|2,0,0]=4 1004 B9R1.69 C1=C(C(=CNC1=O)Cl)O PI-33382 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.69 C1=C(C(=O)NC=C1Br)Cl PI-38894 [0,2,0,0,0,0|1,0,1]=4 1006 B9R1.69 C1=C(C(=O)NC=C1Br)O PI-46997 [0,2,0,0,0,0|1,0,0]=3 1007 B9R1.69 C1=C(C(=O)NC=C1Cl)I PI-47309 [0,2,0,0,0,0|1,0,1]=4 1008 B9R1.69 C1=C(C=NC(=C1Br)Br)Br PI-28803 [0,2,0,0,0,0|2,0,0]=4 1009 B9R1.69 C1=C(C=NC(=C1Br)Cl)Br PI-10513 [0,2,0,0,0,0|2,0,0]=4 1010 B9R1.69 C1=C(C=NC(=C1Br)F)Br PI-28562 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.69 C1=C(C=NC(=C1Br)F)Cl PI-40457 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.69 C1=C(C=NC(=C1Br)N)Br PI-16741 [0,2,0,0,0,0|2,0,0]=4 1013 B9R1.69 C1=C(C=NC(=C1Cl)Cl)Cl PI-16732 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.69 C1=C(C=NC(=C1Cl)N)Br PI-34981 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.69 C1=C(C=NC(=C1Cl)N)Cl PI-16165 [0,2,0,0,0,0|2,0,0]=4 1016 B9R1.69 C1=C(C=NC(=C1F)F)Cl PI-25958 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.69 C1=C(C=NC(=C1I)Cl)F PI-32876 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.69 C1=C(C=NC(=C1N)Br)Br PI-47236 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.69 C1=C(C=NC(=C1N)Cl)Br PI-44963 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.69 C1=C(C=NC(=C1N)Cl)Cl PI-47237 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.69 C1=C(C=NC(=C1N)N)Br PI-33906 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl PI-21594 [0,2,0,0,0,0|1,0,0]=3 1023 B9R1.69 C1=CC(=C(C=C1Br)Cl)I PI-20639 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.69 C1=CC(=C(C=C1Br)Cl)N PI-20600 [0,2,0,0,0,0|1,0,0]=3 1025 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-21433 [0,2,0,0,0,0|1,0,0]=3 1026 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-32450 [0,2,0,0,0,0|1,0,0]=3 1027 B9R1.69 C1=CC(=C(C=C1Br)N)O PI-33346 [0,2,0,0,0,0|0,0,0]=2 1028 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [0,2,0,0,0,0|0,0,0]=2 1029 B9R1.69 C1=CC(=C(C=C1Cl)Br)O PI-33867 [0,2,0,0,0,0|0,0,0]=2 1030 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br PI-21592 [0,2,0,0,0,0|1,0,0]=3 1031 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F PI-16889 [0,2,0,0,0,0|1,0,0]=3 1032 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S PI-21086 [0,2,0,0,0,0|0,1,0]=3 1033 B9R1.69 C1=CC(=C(C=C1Cl)F)Cl PI-16933 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.69 C1=CC(=C(C=C1Cl)F)I PI-20092 [0,2,0,0,0,0|1,0,0]=3 1035 B9R1.69 C1=CC(=C(C=C1Cl)F)N PI-31238 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.69 C1=CC(=C(C=C1Cl)F)O PI-28420 [0,2,0,0,0,0|0,0,0]=2 1037 B9R1.69 C1=CC(=C(C=C1Cl)I)Cl PI-21046 [0,2,0,0,0,0|1,0,0]=3 1038 B9R1.69 C1=CC(=C(C=C1Cl)N)F PI-28267 [0,2,0,0,0,0|1,0,0]=3 1039 B9R1.69 C1=CC(=C(C=C1Cl)N)N PI-16272 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [0,2,0,0,0,0|0,0,0]=2 1041 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [0,2,0,0,0,0|0,0,0]=2 1042 B9R1.69 C1=CC(=C(C=C1Cl)S)Cl PI-21357 [0,2,0,0,0,0|0,1,0]=3 1043 B9R1.69 C1=CC(=C(C=C1F)Br)Br PI-20967 [0,2,0,0,0,0|1,0,0]=3 1044 B9R1.69 C1=CC(=C(C=C1F)Br)Cl PI-20627 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.69 C1=CC(=C(C=C1F)Br)F PI-28496 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.69 C1=CC(=C(C=C1F)Br)N PI-16538 [0,2,0,0,0,0|1,0,0]=3 1047 B9R1.69 C1=CC(=C(C=C1F)Cl)Br PI-20629 [0,2,0,0,0,0|1,0,0]=3 1048 B9R1.69 C1=CC(=C(C=C1F)Cl)Cl PI-16890 [0,2,0,0,0,0|1,0,0]=3 1049 B9R1.69 C1=CC(=C(C=C1F)Cl)O PI-16901 [0,2,0,0,0,0|0,0,0]=2 1050 B9R1.69 C1=CC(=C(C=C1F)F)Cl PI-16888 [0,2,0,0,0,0|1,0,0]=3 1051 B9R1.69 C1=CC(=C(C=C1F)F)O PI-16940 [0,2,0,0,0,0|0,0,0]=2 1052 B9R1.69 C1=CC(=C(C=C1F)I)Br PI-14444 [0,2,0,0,0,0|1,0,0]=3 1053 B9R1.69 C1=CC(=C(C=C1F)I)N PI-10294 [0,2,0,0,0,0|1,0,0]=3 1054 B9R1.69 C1=CC(=C(C=C1F)N)Cl PI-28546 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.69 C1=CC(=C(C=C1F)N)I PI-10621 [0,2,0,0,0,0|1,0,0]=3 1056 B9R1.69 C1=CC(=C(C=C1F)N)N PI-30535 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [0,2,0,0,0,0|0,0,0]=2 1058 B9R1.69 C1=CC(=C(C=C1I)Cl)Cl PI-30279 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.69 C1=CC(=C(C=C1I)Cl)F PI-17308 [0,2,0,0,0,0|1,0,0]=3 1060 B9R1.69 C1=CC(=C(C=C1I)Cl)N PI-12088 [0,2,0,0,0,0|1,0,0]=3 1061 B9R1.69 C1=CC(=C(C=C1I)F)F PI-28714 [0,2,0,0,0,0|1,0,0]=3 1062 B9R1.69 C1=CC(=C(C=C1I)F)N PI-16385 [0,2,0,0,0,0|1,0,0]=3 1063 B9R1.69 C1=CC(=C(C=C1I)F)O PI-43132 [0,2,0,0,0,0|0,0,0]=2 1064 B9R1.69 C1=CC(=C(C=C1N)Cl)F PI-15213 [0,2,0,0,0,0|1,0,0]=3 1065 B9R1.69 C1=CC(=C(C=C1N)Cl)N PI-30776 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.69 C1=CC(=C(C=C1N)F)Cl PI-28447 [0,2,0,0,0,0|1,0,0]=3 1067 B9R1.69 C1=CC(=C(C=C1N)I)N PI-34733 [0,2,0,0,0,0|1,0,0]=3 1068 B9R1.69 C1=CC(=C(C=C1N)N)F PI-28702 [0,2,0,0,0,0|1,0,0]=3 1069 B9R1.69 C1=CC(=C(C=C1N)N)N PI-30777 [0,2,0,0,0,0|1,0,0]=3 1070 B9R1.69 C1=CC(=C(C=C1O)Cl)F PI-16912 [0,2,0,0,0,0|0,0,0]=2 1071 B9R1.69 C1=CC(=C(C=C1O)F)Cl PI-10651 [0,2,0,0,0,0|0,0,0]=2 1072 B9R1.69 C1=CC(=C(C=C1O)F)N PI-16958 [0,2,0,0,0,0|0,0,0]=2 1073 B9R1.69 C1=CC(=C(C=C1S)Cl)Cl PI-21087 [0,2,0,0,0,0|0,1,0]=3 1074 B9R1.69 C1=CC(=C(C=C1S)Cl)F PI-20118 [0,2,0,0,0,0|0,1,0]=3 1075 B9R1.69 C1=CC(=C(C=C1S)F)F PI-28680 [0,2,0,0,0,0|0,1,0]=3 1076 B9R1.69 C1=CC(=C(C=C1S)S)Cl PI-11011 [0,2,0,0,0,0|0,1,0]=3 1077 B9R1.69 C1=CC(=NC(=C1N)Cl)Cl PI-30798 [0,2,0,0,0,0|2,0,0]=4 1078 B9R1.69 C1=CC(=NC(=C1N)N)Cl PI-32634 [0,2,0,0,0,0|2,0,0]=4 1079 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [0,2,0,0,0,0|0,0,1]=3 1080 B9R1.69 C1=CC(=[N+](C=C1F)[O-])Br PI-42574 [0,2,0,0,0,0|1,0,1]=4 1081 B9R1.69 C1=CC(=[N+](C=C1F)[O-])Cl PI-42567 [0,2,0,0,0,0|1,0,1]=4 1082 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [0,2,0,0,0,0|1,0,0]=3 1083 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [0,2,0,0,0,0|1,0,0]=3 1084 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [0,2,0,0,0,0|1,0,0]=3 1085 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [0,2,0,0,0,0|1,0,0]=3 1086 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [0,2,0,0,0,0|0,0,0]=2 1087 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [0,2,0,0,0,0|1,0,0]=3 1088 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [0,2,0,0,0,0|1,0,0]=3 1089 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [0,2,0,0,0,0|1,0,0]=3 1090 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [0,2,0,0,0,0|1,0,0]=3 1091 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [0,2,0,0,0,0|1,0,0]=3 1092 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [0,2,0,0,0,0|1,0,0]=3 1093 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [0,2,0,0,0,0|1,0,0]=3 1094 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [0,2,0,0,0,0|1,0,0]=3 1095 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [0,2,0,0,0,0|1,0,0]=3 1096 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [0,2,0,0,0,0|1,0,0]=3 1097 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [0,2,0,0,0,0|1,0,0]=3 1098 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [0,2,0,0,0,0|0,0,0]=2 1099 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [0,2,0,0,0,0|0,0,0]=2 1100 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [0,2,0,0,0,0|0,1,0]=3 1101 B9R1.69 CC1=C(C=C(C=N1)Br)N PI-40246 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [0,2,0,0,0,0|1,0,0]=3 1103 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [0,2,0,0,0,0|1,0,0]=3 1104 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [0,2,0,0,0,0|1,0,0]=3 1105 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [0,2,0,0,0,0|1,0,0]=3 1106 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [0,2,0,0,0,0|0,0,0]=2 1107 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [0,2,0,0,0,0|1,0,0]=3 1108 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [0,2,0,0,0,0|1,0,0]=3 1110 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [0,2,0,0,0,0|1,0,0]=3 1111 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [0,2,0,0,0,0|1,0,0]=3 1112 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [0,2,0,0,0,0|1,0,0]=3 1113 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [0,2,0,0,0,0|1,0,0]=3 1114 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [0,2,0,0,0,0|1,0,0]=3 1115 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [0,2,0,0,0,0|1,0,0]=3 1116 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [0,2,0,0,0,0|1,0,0]=3 1117 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [0,2,0,0,0,0|0,0,0]=2 1118 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [0,2,0,0,0,0|0,0,0]=2 1119 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [0,2,0,0,0,0|0,0,0]=2 1120 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [0,2,0,0,0,0|0,1,0]=3 1121 B9R1.69 CC1=C(C=CC(=N1)Br)Br PI-34456 [0,2,0,0,0,0|2,0,0]=4 1122 B9R1.69 CC1=C(C=CC(=N1)Br)F PI-10396 [0,2,0,0,0,0|2,0,0]=4 1123 B9R1.69 CC1=C(C=CC(=N1)Br)N PI-34984 [0,2,0,0,0,0|2,0,0]=4 1124 B9R1.69 CC1=C(C=CC(=N1)Cl)F PI-34442 [0,2,0,0,0,0|2,0,0]=4 1125 B9R1.69 CC1=C(C=CC(=N1)F)Br PI-35833 [0,2,0,0,0,0|2,0,0]=4 1126 B9R1.69 CC1=C(C=CC(=N1)F)N PI-32879 [0,2,0,0,0,0|2,0,0]=4 1127 B9R1.69 CC1=C(C=CC(=N1)N)Br PI-10444 [0,2,0,0,0,0|2,0,0]=4 1128 B9R1.69 CC1=C(C=CC(=N1)N)Cl PI-34982 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.69 CC1=C(N=C(C=C1)N)Cl PI-39853 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [0,2,0,0,0,0|1,0,0]=3 1131 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [0,2,0,0,0,0|0,0,0]=2 1132 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [0,2,0,0,0,0|0,1,0]=3 1133 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [0,2,0,0,0,0|1,0,0]=3 1134 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [0,2,0,0,0,0|1,0,0]=3 1135 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [0,2,0,0,0,0|1,0,0]=3 1136 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [0,2,0,0,0,0|1,0,0]=3 1137 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [0,2,0,0,0,0|0,0,0]=2 1138 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [0,2,0,0,0,0|1,0,0]=3 1139 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [0,2,0,0,0,0|1,0,0]=3 1140 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [0,2,0,0,0,0|1,0,0]=3 1141 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [0,2,0,0,0,0|1,0,0]=3 1142 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [0,2,0,0,0,0|0,0,0]=2 1143 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [0,2,0,0,0,0|1,0,0]=3 1144 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [0,2,0,0,0,0|1,0,0]=3 1145 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [0,2,0,0,0,0|1,0,0]=3 1146 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [0,2,0,0,0,0|1,0,0]=3 1147 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [0,2,0,0,0,0|1,0,0]=3 1148 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [0,2,0,0,0,0|0,0,0]=2 1150 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [0,2,0,0,0,0|0,1,0]=3 1151 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [0,2,0,0,0,0|0,0,0]=2 1152 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [0,2,0,0,0,0|0,0,0]=2 1153 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [0,2,0,0,0,0|0,1,0]=3 1154 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [0,2,0,0,0,0|0,1,0]=3 1155 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [0,2,0,0,0,0|0,1,0]=3 1156 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [0,2,0,0,0,0|2,0,0]=4 1157 B9R1.69 CC1=CC(=C(N=C1)Cl)F PI-16765 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.69 CC1=CC(=C(N=C1)Cl)N PI-30504 [0,2,0,0,0,0|2,0,0]=4 1159 B9R1.69 CC1=CC(=C(N=C1)F)Br PI-34448 [0,2,0,0,0,0|2,0,0]=4 1160 B9R1.69 CC1=CC(=C(N=C1)N)Br PI-24152 [0,2,0,0,0,0|2,0,0]=4 1161 B9R1.69 CC1=CC(=CN=C1Br)N PI-27538 [0,2,0,0,0,0|2,0,0]=4 1162 B9R1.69 CC1=CC(=CN=C1Cl)Br PI-24299 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.69 CC1=CC(=CN=C1Cl)F PI-32877 [0,2,0,0,0,0|2,0,0]=4 1164 B9R1.69 CC1=CC(=CN=C1Cl)N PI-34979 [0,2,0,0,0,0|2,0,0]=4 1165 B9R1.69 CC1=CC(=CN=C1F)Br PI-32872 [0,2,0,0,0,0|2,0,0]=4 1166 B9R1.69 CC1=CC(=CN=C1F)N PI-32878 [0,2,0,0,0,0|2,0,0]=4 1167 B9R1.69 CC1=CC(=CN=C1N)Br PI-25459 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.69 CC1=CC(=NC=C1Br)Br PI-39259 [0,2,0,0,0,0|2,0,0]=4 1169 B9R1.69 CC1=CC(=NC=C1N)Cl PI-30838 [0,2,0,0,0,0|2,0,0]=4 1170 B9R1.69 CC1=CC(N)=NC=C1B PI-30996 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.69 CC1=CC(N)=NC=C1Cl PI-31795 [0,2,0,0,0,0|2,0,0]=4 1172 B9R1.69 CC1=CC=C(F)C(Br)=N1 PI-40471 [0,2,0,0,0,0|2,0,0]=4 1173 B9R1.69 CC1=NC(=C(C=C1)Br)Cl PI-44133 [0,2,0,0,0,0|2,0,0]=4 1174 B9R1.69 CC1=NC(=C(C=C1)Br)N PI-30104 [0,2,0,0,0,0|2,0,0]=4 1175 B9R1.69 CC1=NC(=C(C=C1)I)F PI-34430 [0,2,0,0,0,0|2,0,0]=4 1176 B9R1.69 CC1=NC(=C(C=C1)N)Br PI-27124 [0,2,0,0,0,0|2,0,0]=4 1177 B9R1.69 CC1=NC(=C(C=C1)N)C PI-16694 [0,2,0,0,0,0|2,0,0]=4 1178 B9R1.69 CC1=NC(=C(C=C1)N)C PI-33783 [0,2,0,0,0,0|2,0,0]=4 1179 B9R1.69 CC1=NC(=C(C=C1)N)F PI-24368 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [0,2,0,0,0,0|1,0,0]=3 1181 B9R1.69 CC1=[N+](C=C(C=C1)Br)[O-] PI-34301 [0,2,0,0,0,0|1,0,1]=4 1182 B9R1.69 CN1C=CC(=CC1=O)Br PI-40242 [0,2,0,0,0,0|1,0,1]=4 1183 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [0,2,0,0,0,0|1,0,0]=3 1184 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [0,2,0,0,0,0|1,0,0]=3 1185 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [0,2,0,0,0,0|1,0,0]=3 1187 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [0,2,0,0,0,0|1,0,0]=3 1188 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [0,2,0,0,0,0|1,0,0]=3 1189 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [0,2,0,0,0,0|1,0,0]=3 1190 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [0,2,0,0,0,0|1,0,0]=3 1191 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [0,2,0,0,0,0|1,0,0]=3 1192 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [0,2,0,0,0,0|0,0,0]=2 1193 B9R1.69 Cc1ccc(c(n1)C)Br PI-14419 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.69 Cc1ccc(c(n1)Cl)N PI-30570 [0,2,0,0,0,0|2,0,0]=4 1195 B9R1.69 Cc1cnc(Br)c(F)c1 PI-34446 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.69 Cc1cnc(c(c1)I)F PI-32874 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.69 Cc1ncc(c(c1)C)N PI-38589 [0,2,0,0,0,0|2,0,0]=4 1198 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [0,2,0,0,0,0|0,0,0]=2 1199 B9R1.69 ClC1=CC(I)=CC=C1Br PI-41927 [0,2,0,0,0,0|1,0,0]=3 1200 B9R1.69 ClC1=NC=C(Br)C(N)=C1 PI-39470 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.69 Clc1ccc(c(c1)Br)Cl PI-21593 [0,2,0,0,0,0|1,0,0]=3 1202 B9R1.69 Clc1ccc(c(c1)Br)F PI-20628 [0,2,0,0,0,0|1,0,0]=3 1203 B9R1.69 Clc1ccc(c(c1)Br)I PI-38902 [0,2,0,0,0,0|1,0,0]=3 1204 B9R1.69 Clc1ccc(c(c1)Br)N PI-21370 [0,2,0,0,0,0|1,0,0]=3 1205 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [0,2,0,0,0,0|1,0,0]=3 1207 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [0,2,0,0,0,0|1,0,0]=3 1208 B9R1.69 Clc1ccc(c(c1)F)Br PI-20626 [0,2,0,0,0,0|1,0,0]=3 1209 B9R1.69 Clc1ccc(c(c1)F)F PI-12302 [0,2,0,0,0,0|1,0,0]=3 1210 B9R1.69 Clc1ccc(c(c1)N)S PI-14245 [0,2,0,0,0,0|0,1,0]=3 1211 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [0,2,0,0,0,0|0,0,0]=2 1212 B9R1.69 Clc1ccc(c(n1)C)N PI-38623 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.69 Clc1ccc(c(n1)Cl)F PI-36904 [0,2,0,0,0,0|2,0,0]=4 1214 B9R1.69 Clc1ccc(c(n1)Cl)I PI-10338 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.69 Clc1cnc(Br)c(C)c1 PI-35935 [0,2,0,0,0,0|2,0,0]=4 1216 B9R1.69 Clc1cnc(Br)c(Cl)c1 PI-16039 [0,2,0,0,0,0|2,0,0]=4 1217 B9R1.69 Clc1cnc(c(c1)F)N PI-36849 [0,2,0,0,0,0|2,0,0]=4 1218 B9R1.69 Clc1cnc(c(c1)I)N PI-38332 [0,2,0,0,0,0|2,0,0]=4 1219 B9R1.69 Clc1ncc(c(c1)C)Br PI-38910 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [0,2,0,0,0,0|0,1,0]=3 1221 B9R1.69 Fc1ccc(I)c(Br)c1 PI-14445 [0,2,0,0,0,0|1,0,0]=3 1222 B9R1.69 Fc1ccc(N)c(F)c1 PI-15215 [0,2,0,0,0,0|1,0,0]=3 1223 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [0,2,0,0,0,0|0,1,0]=3 1224 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [0,2,0,0,0,0|1,0,0]=3 1225 B9R1.69 Fc1ccc(c(c1)Br)O PI-21470 [0,2,0,0,0,0|0,0,0]=2 1226 B9R1.69 Fc1ccc(c(c1)Cl)F PI-28303 [0,2,0,0,0,0|1,0,0]=3 1227 B9R1.69 Fc1ccc(c(c1)Cl)S PI-20117 [0,2,0,0,0,0|0,1,0]=3 1228 B9R1.69 Fc1ccc(c(c1)F)Br PI-32222 [0,2,0,0,0,0|1,0,0]=3 1229 B9R1.69 Fc1ccc(c(c1)F)F PI-10729 [0,2,0,0,0,0|1,0,0]=3 1230 B9R1.69 Fc1ccc(c(c1)F)S PI-16902 [0,2,0,0,0,0|0,1,0]=3 1231 B9R1.69 Fc1ccc(c(c1)N)Br PI-10617 [0,2,0,0,0,0|1,0,0]=3 1232 B9R1.69 Fc1ccc(c(c1)N)F PI-16941 [0,2,0,0,0,0|1,0,0]=3 1233 B9R1.69 Fc1ccc(c(c1)N)O PI-15926 [0,2,0,0,0,0|0,0,0]=2 1234 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [0,2,0,0,0,0|0,0,0]=2 1235 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [0,2,0,0,0,0|0,0,0]=2 1236 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [0,2,0,0,0,0|0,0,0]=2 1237 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [0,2,0,0,0,0|0,0,0]=2 1238 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [0,2,0,0,0,0|0,0,0]=2 1239 B9R1.69 Fc1cnc(N)c(Br)c1 PI-32880 [0,2,0,0,0,0|2,0,0]=4 1240 B9R1.69 Fc1cnc(c(c1)C)Br PI-34447 [0,2,0,0,0,0|2,0,0]=4 1241 B9R1.69 Fc1cnc(c(c1)F)F PI-33059 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.69 Fc1ncc(C)c(I)c1 PI-34432 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.69 Fc1ncc(c(c1)C)Br PI-38328 [0,2,0,0,0,0|2,0,0]=4 1244 B9R1.69 IC1=CC(Br)=CN=C1N PI-46623 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [0,2,0,0,0,0|0,0,0]=2 1246 B9R1.69 IC1=CC=C(Br)C(Br)=C1 PI-41928 [0,2,0,0,0,0|1,0,0]=3 1247 B9R1.69 IC1=CC=C(Br)C=C1F PI-21451 [0,2,0,0,0,0|1,0,0]=3 1248 B9R1.69 IC1=CC=C(F)C=C1F PI-28291 [0,2,0,0,0,0|1,0,0]=3 1249 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [0,2,0,0,0,0|1,0,0]=3 1250 B9R1.69 Ic1ccc(F)c(Br)c1 PI-21453 [0,2,0,0,0,0|1,0,0]=3 1251 B9R1.69 Ic1ccc(c(c1)F)Br PI-14443 [0,2,0,0,0,0|1,0,0]=3 1252 B9R1.69 NC1=C(Cl)C=C(O)C=C1 PI-39809 [0,2,0,0,0,0|0,0,0]=2 1253 B9R1.69 NC1=CC(Br)=CC=C1Cl PI-20602 [0,2,0,0,0,0|1,0,0]=3 1254 B9R1.69 NC1=CC=C(Br)C=C1I PI-39519 [0,2,0,0,0,0|1,0,0]=3 1255 B9R1.69 NC1=CC=C(Cl)C(N)=C1 PI-11322 [0,2,0,0,0,0|1,0,0]=3 1256 B9R1.69 NC1=NC(Br)=C(C)C=C1 PI-39854 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.69 NC1=NC(N)=CC=C1Br PI-46757 [0,2,0,0,0,0|2,0,0]=4 1258 B9R1.69 NC1=NC=C(Br)C(Cl)=C1 PI-42591 [0,2,0,0,0,0|2,0,0]=4 1259 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [0,2,0,0,0,0|1,0,0]=3 1260 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [0,2,0,0,0,0|0,0,0]=2 1261 B9R1.69 Nc1ccc(F)c(C)n1 PI-34452 [0,2,0,0,0,0|2,0,0]=4 1262 B9R1.69 Nc1ccc(O)c(Cl)c1 PI-11818 [0,2,0,0,0,0|0,0,0]=2 1263 B9R1.69 Nc1ccc(O)c(F)c1 PI-28497 [0,2,0,0,0,0|0,0,0]=2 1264 B9R1.69 Nc1ccc(c(c1)Br)F PI-12304 [0,2,0,0,0,0|1,0,0]=3 1265 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [0,2,0,0,0,0|1,0,0]=3 1266 B9R1.69 Nc1ccc(c(c1)Cl)Br PI-20601 [0,2,0,0,0,0|1,0,0]=3 1267 B9R1.69 Nc1ccc(c(c1)Cl)I PI-30125 [0,2,0,0,0,0|1,0,0]=3 1268 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38011 [0,2,0,0,0,0|1,0,0]=3 1269 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38070 [0,2,0,0,0,0|1,0,0]=3 1270 B9R1.69 Nc1ccc(c(c1)F)Br PI-10618 [0,2,0,0,0,0|1,0,0]=3 1271 B9R1.69 Nc1ccc(c(c1)F)I PI-10620 [0,2,0,0,0,0|1,0,0]=3 1272 B9R1.69 O=C1C=CC(N)=CN1C PI-46613 [0,2,0,0,0,0|1,0,1]=4 1273 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [0,2,0,0,0,0|0,0,0]=2 1274 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [0,2,0,0,0,0|0,0,0]=2 1275 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [0,2,0,0,0,0|0,0,0]=2 1276 B9R1.69 OC1=CC=C(N)C(Cl)=C1 PI-42395 [0,2,0,0,0,0|0,0,0]=2 1277 B9R1.69 OC1=CC=C(N)C=C1N PI-32464 [0,2,0,0,0,0|0,0,0]=2 1278 B9R1.69 OC1=NC=C(Br)N=C1Br PI-38253 [0,2,0,0,0,0|2,0,0]=4 1279 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [0,2,0,0,0,0|0,0,0]=2 1280 B9R1.69 Oc1ccc(Br)c(F)c1 PI-10426 [0,2,0,0,0,0|0,0,0]=2 1281 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [0,2,0,0,0,0|0,0,0]=2 1282 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [0,2,0,0,0,0|0,0,0]=2 1283 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [0,2,0,0,0,0|0,0,0]=2 1284 B9R1.69 Oc1ccc(F)c(N)c1 PI-33926 [0,2,0,0,0,0|0,0,0]=2 1285 B9R1.69 Oc1ccc(c(c1)Br)Cl PI-39217 [0,2,0,0,0,0|0,0,0]=2 1286 B9R1.69 Oc1ccc(c(c1)Br)F PI-10647 [0,2,0,0,0,0|0,0,0]=2 1287 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [0,2,0,0,0,0|0,0,0]=2 1288 B9R1.69 Oc1ccc(c(c1)F)F PI-16914 [0,2,0,0,0,0|0,0,0]=2 1289 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [0,2,0,0,0,0|0,0,0]=2 1290 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [0,2,0,0,0,0|0,0,0]=2 1291 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [0,2,0,0,0,0|0,0,0]=2 1292 B9R1.69 Oc1cnc(c(c1)Br)Cl PI-39120 [0,2,0,0,0,0|1,0,0]=3 1293 B9R1.69 Oc1ncc(c(c1)Br)F PI-38921 [0,2,0,0,0,0|1,0,0]=3 1294 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [0,2,0,0,0,0|0,1,0]=3 1295 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [0,2,0,0,0,0|0,0,0]=2 1296 B9R1.3 BrC1=C(C=CC=C1F)N PI-10616 [0,2,0,0,0,0|1,0,0]=3 1297 B9R1.3 Brc1c(Cl)cccc1Br PI-36772 [0,2,0,0,0,0|1,0,0]=3 1298 B9R1.3 Brc1c(N)ccnc1N PI-39323 [0,2,0,0,0,0|2,0,0]=4 1299 B9R1.3 Brc1c(O)cccc1F PI-27596 [0,2,0,0,0,0|0,0,0]=2 1300 B9R1.3 Brc1cccc(c1C)Br PI-30854 [0,2,0,0,0,0|1,0,0]=3 1301 B9R1.3 Brc1cccc(c1F)Br PI-38886 [0,2,0,0,0,0|1,0,0]=3 1302 B9R1.3 Brc1cncc(c1C)Br PI-39130 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.3 C1=C(C(=C(C=C1)F)O)O PI-19501 [0,2,0,0,0,0|0,0,0]=2 1304 B9R1.3 C1=C(C(=C(C=N1)Cl)Br)Cl PI-28407 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.3 C1=C(C(=C(C=N1)Cl)N)Cl PI-16166 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.3 C1=C(C(=C(C=N1)N)N)N PI-35294 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.3 C1=C(C(=O)C(=CN1)Cl)Cl PI-28203 [0,2,0,0,0,0|1,0,1]=4 1308 B9R1.3 C1=CC(=C(C(=C1)Br)Br)Br PI-49334 [0,2,0,0,0,0|1,0,0]=3 1309 B9R1.3 C1=CC(=C(C(=C1)Br)Br)F PI-43232 [0,2,0,0,0,0|1,0,0]=3 1310 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)O PI-34265 [0,2,0,0,0,0|0,0,0]=2 1311 B9R1.3 C1=CC(=C(C(=C1)Br)I)O PI-44588 [0,2,0,0,0,0|0,0,0]=2 1312 B9R1.3 C1=CC(=C(C(=C1)Br)N)F PI-28732 [0,2,0,0,0,0|1,0,0]=3 1313 B9R1.3 C1=CC(=C(C(=C1)Br)O)F PI-10646 [0,2,0,0,0,0|0,0,0]=2 1314 B9R1.3 C1=CC(=C(C(=C1)Br)O)N PI-33348 [0,2,0,0,0,0|0,0,0]=2 1315 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)Cl PI-33015 [0,2,0,0,0,0|1,0,0]=3 1316 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)F PI-21033 [0,2,0,0,0,0|1,0,0]=3 1317 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S PI-21353 [0,2,0,0,0,0|0,1,0]=3 1318 B9R1.3 C1=CC(=C(C(=C1)Cl)F)F PI-28648 [0,2,0,0,0,0|1,0,0]=3 1319 B9R1.3 C1=CC(=C(C(=C1)Cl)N)F PI-16936 [0,2,0,0,0,0|1,0,0]=3 1320 B9R1.3 C1=CC(=C(C(=C1)Cl)N)S PI-41796 [0,2,0,0,0,0|0,1,0]=3 1321 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F PI-16877 [0,2,0,0,0,0|0,0,0]=2 1322 B9R1.3 C1=CC(=C(C(=C1)Cl)S)Cl PI-17253 [0,2,0,0,0,0|0,1,0]=3 1323 B9R1.3 C1=CC(=C(C(=C1)F)Cl)F PI-28470 [0,2,0,0,0,0|1,0,0]=3 1324 B9R1.3 C1=CC(=C(C(=C1)F)F)F PI-28163 [0,2,0,0,0,0|1,0,0]=3 1325 B9R1.3 C1=CC(=C(C(=C1)F)F)N PI-28539 [0,2,0,0,0,0|1,0,0]=3 1326 B9R1.3 C1=CC(=C(C(=C1)F)I)F PI-34348 [0,2,0,0,0,0|1,0,0]=3 1327 B9R1.3 C1=CC(=C(C(=C1)I)Br)F PI-42952 [0,2,0,0,0,0|1,0,0]=3 1328 B9R1.3 C1=CC(=C(C(=C1)I)Cl)Cl PI-31839 [0,2,0,0,0,0|1,0,0]=3 1329 B9R1.3 C1=CC(=C(C(=C1)I)N)F PI-34647 [0,2,0,0,0,0|1,0,0]=3 1330 B9R1.3 C1=CC(=C(C(=C1)O)Cl)N PI-34749 [0,2,0,0,0,0|0,0,0]=2 1331 B9R1.3 C1=CC(=C(C(=C1)O)F)N PI-49267 [0,2,0,0,0,0|0,0,0]=2 1332 B9R1.3 C1=CC=C(C(=C1Br)C)N PI-19715 [0,2,0,0,0,0|1,0,0]=3 1333 B9R1.3 C1=CC=C(O)C(=C1O)Cl PI-10240 [0,2,0,0,0,0|0,0,0]=2 1334 B9R1.3 C1=CN=C(C(=C1I)F)Cl PI-34445 [0,2,0,0,0,0|2,0,0]=4 1335 B9R1.3 C1=CN=C(C(=C1N)I)Cl PI-50550 [0,2,0,0,0,0|2,0,0]=4 1336 B9R1.3 C1=NC(=C(C(=O)N1)Br)O PI-16305 [0,2,0,0,0,0|2,0,0]=4 1337 B9R1.3 C1=NC(=C(C(=O)N1)F)O PI-45140 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.3 CC1=C(Br)C(F)=NC=C1 PI-39751 [0,2,0,0,0,0|2,0,0]=4 1339 B9R1.3 CC1=C(C(=CC=C1)Br)F PI-10666 [0,2,0,0,0,0|1,0,0]=3 1340 B9R1.3 CC1=C(C(=CC=C1)Br)N PI-21583 [0,2,0,0,0,0|1,0,0]=3 1341 B9R1.3 CC1=C(C(=CC=C1)Br)O PI-46963 [0,2,0,0,0,0|0,0,0]=2 1342 B9R1.3 CC1=C(C(=CC=C1)C)Cl PI-11596 [0,2,0,0,0,0|1,0,0]=3 1343 B9R1.3 CC1=C(C(=CC=C1)C)F PI-11594 [0,2,0,0,0,0|1,0,0]=3 1344 B9R1.3 CC1=C(C(=CC=C1)C)O PI-48960 [0,2,0,0,0,0|0,0,0]=2 1345 B9R1.3 CC1=C(C(=CC=C1)C)S PI-19078 [0,2,0,0,0,0|0,1,0]=3 1346 B9R1.3 CC1=C(C(=CC=C1)Cl)Br PI-19844 [0,2,0,0,0,0|1,0,0]=3 1347 B9R1.3 CC1=C(C(=CC=C1)Cl)F PI-28868 [0,2,0,0,0,0|1,0,0]=3 1348 B9R1.3 CC1=C(C(=CC=C1)Cl)I PI-19664 [0,2,0,0,0,0|1,0,0]=3 1349 B9R1.3 CC1=C(C(=CC=C1)F)Br PI-33074 [0,2,0,0,0,0|1,0,0]=3 1350 B9R1.3 CC1=C(C(=CC=C1)F)F PI-16367 [0,2,0,0,0,0|1,0,0]=3 1351 B9R1.3 CC1=C(C(=CC=C1)F)I PI-34489 [0,2,0,0,0,0|1,0,0]=3 1352 B9R1.3 CC1=C(C(=CC=C1)F)N PI-10462 [0,2,0,0,0,0|1,0,0]=3 1353 B9R1.3 CC1=C(C(=CC=C1)I)F PI-10671 [0,2,0,0,0,0|1,0,0]=3 1354 B9R1.3 CC1=C(C(=CC=C1)N)C PI-27689 [0,2,0,0,0,0|1,0,0]=3 1355 B9R1.3 CC1=C(C(=CC=C1)N)F PI-28254 [0,2,0,0,0,0|1,0,0]=3 1356 B9R1.3 CC1=C(C(=CC=C1)N)N PI-20954 [0,2,0,0,0,0|1,0,0]=3 1357 B9R1.3 CC1=C(C(=CC=C1)N)O PI-42097 [0,2,0,0,0,0|0,0,0]=2 1358 B9R1.3 CC1=C(C(=CC=C1)O)Cl PI-42107 [0,2,0,0,0,0|0,0,0]=2 1359 B9R1.3 CC1=C(C(=NC=C1)Cl)N PI-10382 [0,2,0,0,0,0|2,0,0]=4 1360 B9R1.3 CC1=C(C(=NC=N1)C)O PI-45131 [0,2,0,0,0,0|2,0,0]=4 1361 B9R1.3 CC1=C(C)C(F)=CC=C1 PI-11597 [0,2,0,0,0,0|1,0,0]=3 1362 B9R1.3 CC1=C(C=CC=C1Br)Cl PI-20670 [0,2,0,0,0,0|1,0,0]=3 1363 B9R1.3 CC1=C(C=CC=C1Br)F PI-10665 [0,2,0,0,0,0|1,0,0]=3 1364 B9R1.3 CC1=C(C=CC=C1F)F PI-10670 [0,2,0,0,0,0|1,0,0]=3 1365 B9R1.3 CC1=C(C=CC=C1F)N PI-28534 [0,2,0,0,0,0|1,0,0]=3 1366 B9R1.3 CC1=C(C=CC=C1F)O PI-33695 [0,2,0,0,0,0|0,0,0]=2 1367 B9R1.3 CC1=C(C=CC=C1I)F PI-10674 [0,2,0,0,0,0|1,0,0]=3 1368 B9R1.3 CC1=C(Cl)C(Cl)=CC=C1 PI-27484 [0,2,0,0,0,0|1,0,0]=3 1369 B9R1.3 CC1=[N+](C(=CC=C1)C)[O-] PI-29049 [0,2,0,0,0,0|1,0,1]=4 1370 B9R1.3 Cc1c(C)cccc1Br PI-38905 [0,2,0,0,0,0|1,0,0]=3 1371 B9R1.3 Cc1c(F)cccc1Cl PI-33407 [0,2,0,0,0,0|1,0,0]=3 1372 B9R1.3 Cc1c(O)cccc1O PI-13269 [0,2,0,0,0,0|0,0,0]=2 1373 B9R1.3 Cc1cccc(c1Br)C PI-11595 [0,2,0,0,0,0|1,0,0]=3 1374 B9R1.3 Cc1ccnc(c1F)Cl PI-34473 [0,2,0,0,0,0|2,0,0]=4 1375 B9R1.3 ClC1=CC=CC(Br)=C1I PI-41926 [0,2,0,0,0,0|1,0,0]=3 1376 B9R1.3 Clc1c(N)cccc1F PI-10619 [0,2,0,0,0,0|1,0,0]=3 1377 B9R1.3 Clc1c(O)cccc1Cl PI-37792 [0,2,0,0,0,0|0,0,0]=2 1378 B9R1.3 Clc1cccc(Cl)[n+]1[O-] PI-42561 [0,2,0,0,0,0|1,0,1]=4 1379 B9R1.3 Clc1cncc(Cl)c1Cl PI-33527 [0,2,0,0,0,0|2,0,0]=4 1380 B9R1.3 Clc1cncc(c1F)Cl PI-28912 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.3 F[n+]1c(Cl)cccc1Cl PI-23568 [0,2,0,0,0,0|2,0,0]=4 1382 B9R1.3 Fc1c(C)cccc1O PI-38225 [0,2,0,0,0,0|0,0,0]=2 1383 B9R1.3 Fc1c(Cl)cccc1Br PI-11590 [0,2,0,0,0,0|1,0,0]=3 1384 B9R1.3 Fc1c(Cl)cccc1I PI-20091 [0,2,0,0,0,0|1,0,0]=3 1385 B9R1.3 Fc1c(F)cccc1Br PI-16365 [0,2,0,0,0,0|1,0,0]=3 1386 B9R1.3 Fc1c(N)cccc1Br PI-38904 [0,2,0,0,0,0|1,0,0]=3 1387 B9R1.3 Fc1c(O)cccc1F PI-10291 [0,2,0,0,0,0|0,0,0]=2 1388 B9R1.3 Fc1cccc(c1Br)F PI-16368 [0,2,0,0,0,0|1,0,0]=3 1389 B9R1.3 Fc1cccc(c1N)F PI-31231 [0,2,0,0,0,0|1,0,0]=3 1390 B9R1.3 IC1=C(Br)C=CC=C1Br PI-46843 [0,2,0,0,0,0|1,0,0]=3 1391 B9R1.3 NC1=C(N)C=CN=C1Cl PI-35295 [0,2,0,0,0,0|2,0,0]=4 1392 B9R1.3 Nc1c(C)cccc1Cl PI-12044 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.3 Nc1c(C)cccc1O PI-11311 [0,2,0,0,0,0|0,0,0]=2 1394 B9R1.3 Nc1c(Cl)cccc1I PI-36760 [0,2,0,0,0,0|1,0,0]=3 1395 B9R1.3 Nc1c(N)ncnc1O PI-34788 [0,2,0,0,0,0|2,0,0]=4 1396 B9R1.3 Nc1c(O)cccc1Br PI-36538 [0,2,0,0,0,0|0,0,0]=2 1397 B9R1.3 Nc1ccnc(Cl)c1Br PI-37155 [0,2,0,0,0,0|2,0,0]=4 1398 B9R1.3 OC1=C(F)C(Br)=CC=C1 PI-40482 [0,2,0,0,0,0|0,0,0]=2 1399 B9R1.3 OC1=C(F)C=CC=C1F PI-16916 [0,2,0,0,0,0|0,0,0]=2 1400 B9R1.3 Oc1c(Br)cccc1Br PI-20984 [0,2,0,0,0,0|0,0,0]=2 1401 B9R1.3 Oc1c(C)cccc1Cl PI-20168 [0,2,0,0,0,0|0,0,0]=2 1402 B9R1.3 Oc1c(F)cccc1I PI-10652 [0,2,0,0,0,0|0,0,0]=2 1403 B9R1.3 Oc1c(N)cccc1F PI-34504 [0,2,0,0,0,0|0,0,0]=2 1404 B9R1.3 Oc1cccc(c1N)O PI-32329 [0,2,0,0,0,0|0,0,0]=2 1405 B9R1.34 Brc1cc(Br)cc(Br)c1 PI-11674 [0,2,0,0,0,0|1,0,0]=3 1406 B9R1.34 C1=C(C=C(C=C1Br)Br)F PI-28148 [0,2,0,0,0,0|1,0,0]=3 1407 B9R1.34 C1=C(C=C(C=C1Br)Br)O PI-34092 [0,2,0,0,0,0|0,0,0]=2 1408 B9R1.34 C1=C(C=C(C=C1Cl)Br)F PI-11589 [0,2,0,0,0,0|1,0,0]=3 1409 B9R1.34 C1=C(C=C(C=C1Cl)Br)O PI-34267 [0,2,0,0,0,0|0,0,0]=2 1410 B9R1.34 C1=C(C=C(C=C1Cl)Cl)F PI-21034 [0,2,0,0,0,0|1,0,0]=3 1411 B9R1.34 C1=C(C=C(C=C1Cl)Cl)S PI-17419 [0,2,0,0,0,0|0,1,0]=3 1412 B9R1.34 C1=C(C=C(C=C1F)F)F PI-28455 [0,2,0,0,0,0|1,0,0]=3 1413 B9R1.34 C1=C(C=C(C=C1F)F)N PI-16948 [0,2,0,0,0,0|1,0,0]=3 1414 B9R1.34 C1=C(C=C(C=C1F)I)F PI-28290 [0,2,0,0,0,0|1,0,0]=3 1415 B9R1.34 C1=C(C=C(C=C1I)I)O PI-35825 [0,2,0,0,0,0|0,0,0]=2 1416 B9R1.34 C1=C(C=C(N=C1N)N)Br PI-33870 [0,2,0,0,0,0|2,0,0]=4 1417 B9R1.34 C1=C(C=[N+](C=C1Br)[O-])Br PI-42575 [0,2,0,0,0,0|1,0,1]=4 1418 B9R1.34 C1=C(C=[N+](C=C1Cl)[O-])Cl PI-42562 [0,2,0,0,0,0|1,0,1]=4 1419 B9R1.34 CC1=CC(=CC(=C1)Br)Br PI-30186 [0,2,0,0,0,0|1,0,0]=3 1420 B9R1.34 CC1=CC(=CC(=C1)Br)F PI-10667 [0,2,0,0,0,0|1,0,0]=3 1421 B9R1.34 CC1=CC(=CC(=C1)Cl)C PI-19721 [0,2,0,0,0,0|1,0,0]=3 1422 B9R1.34 CC1=CC(=CC(=C1)Cl)F PI-19987 [0,2,0,0,0,0|1,0,0]=3 1423 B9R1.34 CC1=CC(=CC(=C1)F)C PI-21948 [0,2,0,0,0,0|1,0,0]=3 1424 B9R1.34 CC1=CC(=CC(=C1)O)O PI-10527 [0,2,0,0,0,0|0,0,0]=2 1425 B9R1.34 CC1=CC(=CC(=N1)C)Br PI-35010 [0,2,0,0,0,0|2,0,0]=4 1426 B9R1.34 CC1=CC(=CC(=N1)C)Cl PI-35009 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.34 CC1=CC(=CC(=N1)C)I PI-35012 [0,2,0,0,0,0|2,0,0]=4 1428 B9R1.34 CC1=CC(=C[N+](=C1)[O-])C PI-42565 [0,2,0,0,0,0|1,0,1]=4 1429 B9R1.34 CC1=CC(=NC(=C1)C)C PI-20726 [0,2,0,0,0,0|2,0,0]=4 1430 B9R1.34 CC1=CC(=NC(=C1)N)C PI-30696 [0,2,0,0,0,0|2,0,0]=4 1431 B9R1.34 CC1=CC(=[O+]C(=C1)C)C PI-47145 [0,2,0,0,0,0|2,0,0]=4 1432 B9R1.34 CC1=NC(=CC(=O)N1)O PI-12843 [0,2,0,0,0,0|2,0,0]=4 1433 B9R1.34 Cc1cc(C)cc(S)c1 PI-22000 [0,2,0,0,0,0|0,1,0]=3 1434 B9R1.34 Cc1cc(C)cc(c1)Br PI-38330 [0,2,0,0,0,0|1,0,0]=3 1435 B9R1.34 Cc1cc(C)nc(C)c1 PI-32521 [0,2,0,0,0,0|2,0,0]=4 1436 B9R1.34 Cc1cc(F)cc(c1)F PI-33075 [0,2,0,0,0,0|1,0,0]=3 1437 B9R1.34 Cc1cc(N)cc(c1)Cl PI-39722 [0,2,0,0,0,0|1,0,0]=3 1438 B9R1.34 Cc1cc(N)cc(c1)F PI-10625 [0,2,0,0,0,0|1,0,0]=3 1439 B9R1.34 Cc1cc(O)cc(c1)Br PI-33356 [0,2,0,0,0,0|0,0,0]=2 1440 B9R1.34 Cc1cc(O)nc(N)n1 PI-33693 [0,2,0,0,0,0|2,0,0]=4 1441 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 PI-37420 [0,2,0,0,0,0|2,0,0]=4 1442 B9R1.34 Clc1cc(Br)cc(c1)Br PI-35806 [0,2,0,0,0,0|1,0,0]=3 1443 B9R1.34 Clc1cc(Br)cc(c1)I PI-36792 [0,2,0,0,0,0|1,0,0]=3 1444 B9R1.34 Clc1cc(Cl)cc(Br)c1 PI-11894 [0,2,0,0,0,0|1,0,0]=3 1445 B9R1.34 Clc1cc(Cl)cc(I)c1 PI-30450 [0,2,0,0,0,0|1,0,0]=3 1446 B9R1.34 Clc1cc(N)nc(Cl)c1 PI-27094 [0,2,0,0,0,0|2,0,0]=4 1447 B9R1.34 Fc1cc(Br)cc(I)c1 PI-21452 [0,2,0,0,0,0|1,0,0]=3 1448 B9R1.34 Fc1cc(F)cc(Cl)c1 PI-28147 [0,2,0,0,0,0|1,0,0]=3 1449 B9R1.34 Fc1cc(F)cc(c1)Br PI-11897 [0,2,0,0,0,0|1,0,0]=3 1450 B9R1.34 Fc1cc(F)nc(F)c1 PI-11018 [0,2,0,0,0,0|2,0,0]=4 1451 B9R1.34 IC1=CC(Br)=CC(Br)=C1 PI-41778 [0,2,0,0,0,0|1,0,0]=3 1452 B9R1.34 Ic1cc(C)nc(c1)F PI-39154 [0,2,0,0,0,0|2,0,0]=4 1453 B9R1.34 NC1=CC(Br)=CC(Br)=C1 PI-41779 [0,2,0,0,0,0|1,0,0]=3 1454 B9R1.34 NC1=CC(Cl)=CC(N)=C1 PI-30495 [0,2,0,0,0,0|1,0,0]=3 1455 B9R1.34 NC1=CC(N)=CC(N)=C1 PI-39677 [0,2,0,0,0,0|1,0,0]=3 1456 B9R1.34 Nc1cc(C)nc(c1)C PI-38724 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.34 Nc1cc(O)nc(n1)N PI-15456 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.34 O=c1cc(C)oc(C)c1 PI-29024 [0,2,0,0,0,0|1,0,1]=4 1459 B9R1.34 Oc1cc(C)nc(c1)C PI-16037 [0,2,0,0,0,0|1,0,0]=3 1460 B9R1.34 Oc1cc(Cl)cc(c1)Cl PI-37316 [0,2,0,0,0,0|0,0,0]=2 1461 B9R1.34 Oc1cc(F)cc(Br)c1 PI-34268 [0,2,0,0,0,0|0,0,0]=2 1462 B9R1.34 Oc1cc(F)cc(c1)Cl PI-38861 [0,2,0,0,0,0|0,0,0]=2 1463 B9R1.34 Oc1cc(F)cc(c1)F PI-16915 [0,2,0,0,0,0|0,0,0]=2 1464 B9R1.34 Oc1cc(O)cc(c1)O PI-16481 [0,2,0,0,0,0|0,0,0]=2 1465 B9R1.34 Oc1cc(O)cc(c1)O PI-39326 [0,2,0,0,0,0|0,0,0]=2 1466 B9R1.34 Oc1cc(O)nc(N)n1 PI-28001 [0,2,0,0,0,0|2,0,0]=4 1467 B9R1.34 Oc1cc(O)nc(S)n1 PI-33477 [0,2,0,0,0,0|2,0,0]=4 1468 B7R1.24 C1=CC=C[CH+]C=C1 PI-30408 [0,0,1,1,0,0|1,0,0]=3 1469 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [0,1,0,1,0,0|1,0,0]=3 1470 B5R1.1 C1=CSC=C1 PI-45119 [1,0,0,0,1,0|1,0,0]=3 1471 B5R1.1 C1=CSC=N1 PI-45012 [1,0,0,0,1,0|2,0,0]=4 1472 B5R1.1 C1=CSN=C1 PI-41498 [1,0,0,0,1,0|2,0,0]=4 1473 B5R1.1 O1C=NC=C1 PI-37188 [1,0,0,0,1,0|2,0,0]=4 1474 B5R1.1 O1N=CC=C1 PI-37186 [1,0,0,0,1,0|2,0,0]=4 1475 B5R1.1 c1ccn[nH]1 PI-12159 [1,0,0,0,1,0|2,0,0]=4