0 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.2 C#CC1=CN=CN=C1 PI-35998 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 C1=CN=CC=C1CCl PI-31734 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 C1=CN=CC=C1CO PI-16744 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.2 C1=CN=CN=C1C=O PI-34868 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.2 C1=CN=CN=C1CO PI-35498 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 C1CC(OC=C1)CO PI-28456 [0,0,0,0,0,0|1,0,3]=4 20 B8R1.2 CCC1=CC=CC=N1 PI-49466 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 CCC1=NC=CN=C1 PI-11040 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 CNC1=CC=CC=N1 PI-11864 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 CNC1=CC=NC=C1 PI-23603 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.2 CNC1=CN=CC=C1 PI-11328 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 COC1=CC=CC=N1 PI-33887 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.2 COC1=CC=NC=C1 PI-10034 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.2 COC1=CN=CC=C1 PI-33889 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 COC1=NC=CN=C1 PI-11859 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.2 CSC1=CC=CC=N1 PI-16757 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 CSC1=NC=CN=C1 PI-11048 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 ClCc1ccccn1 PI-16716 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 ClCc1ncccn1 PI-35014 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.2 ClCc1ncccn1 PI-40553 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 N#Cc1cncnc1 PI-38932 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.2 NCC1=CC=CC=C1 PI-37209 [0,0,0,0,0,0|1,0,0]=1 40 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.2 NCc1ccccn1 PI-33905 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.2 NCc1cccnc1 PI-15236 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.2 NCc1ccncc1 PI-31790 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 NCc1ncccn1 PI-34855 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.2 NCc1ncccn1 PI-34856 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.2 NNC1=CC=CC=C1 PI-41551 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.2 O=Cc1ccccn1 PI-33895 [0,0,0,0,0,0|1,0,2]=3 48 B8R1.2 O=Cc1cccnc1 PI-33908 [0,0,0,0,0,0|1,0,2]=3 49 B8R1.2 O=Cc1ccncc1 PI-13140 [0,0,0,0,0,0|1,0,2]=3 50 B8R1.2 OCC1=CC=CN=C1 PI-11019 [0,0,0,0,0,0|1,0,0]=1 51 B8R1.2 OCC1=NC=CC=C1 PI-16261 [0,0,0,0,0,0|1,0,0]=1 52 B8R1.2 OCc1ccncc1 PI-16686 [0,0,0,0,0,0|1,0,0]=1 53 B8R1.2 ONc1ccccc1 PI-38448 [0,0,0,0,0,0|1,0,0]=1 54 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [0,0,0,0,0,0|1,0,1]=2 55 B8R1.2 c1nccnc1C#N PI-11837 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.3 Brc1cccnc1 PI-11914 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 Brc1cccnn1 PI-37395 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 Brc1ccncc1 PI-10390 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 Brc1ccnnc1 PI-34084 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.3 C1=C(C=NC=N1)Br PI-16276 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.3 C1=C(C=NC=N1)Cl PI-21317 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 C1=C(C=NC=N1)F PI-28750 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 C1=CC(=CN=C1)I PI-11390 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.3 C1=CC(=CN=C1)O PI-44714 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [1,0,0,0,0,0|1,0,1]=3 66 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [1,0,0,0,0,0|1,0,1]=3 68 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [1,0,0,0,0,0|1,1,0]=3 70 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [1,0,0,0,0,0|0,1,0]=2 71 B7R1.3 C1=CC=NC(=C1)I PI-32173 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.3 C1=CN=C(N=C1)N PI-33106 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.3 C1=CN=CC=C1Cl PI-16703 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.3 C1=CN=CC=C1F PI-10293 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 C1=CN=CC=C1F PI-28763 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 C1=CN=CC=C1I PI-16167 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 C1=CN=CN=C1Cl PI-47317 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 C1=CN=CN=C1N PI-34789 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.3 C1=CN=CNC1=O PI-21341 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.3 C1=CN=CNC1=O PI-45002 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.3 C1=CNC(=S)N=C1 PI-15316 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.3 C1=CNC=CC1=S PI-33123 [1,0,0,0,0,0|1,1,0]=3 88 B7R1.3 C1=COC=CC1=O PI-43972 [1,0,0,0,0,0|1,0,1]=3 89 B7R1.3 C1=C[N+](=CC=N1)[O-] PI-50198 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.3 CC1=CC=CC=N1 PI-38534 [1,0,0,0,0,0|1,0,0]=2 91 B7R1.3 CC1=CN=CN=C1 PI-21343 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 CC1=CN=NC=C1 PI-31701 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.3 CC1=NC=CN=C1 PI-48495 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [1,0,0,0,0,0|1,0,0]=2 95 B7R1.3 C[n+]1ccccc1 PI-17168 [1,0,0,0,0,0|1,0,0]=2 96 B7R1.3 Cc1ncccn1 PI-35192 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.3 ClC1=NN=CC=C1 PI-37010 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.3 Clc1cccnc1 PI-11921 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.3 Clc1ccncn1 PI-38789 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.3 Clc1ncccn1 PI-16275 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.3 Fc1ccccn1 PI-11583 [1,0,0,0,0,0|2,0,0]=3 102 B7R1.3 Fc1cccnc1 PI-16759 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.3 Ic1ccccc1 PI-37973 [1,0,0,0,0,0|1,0,0]=2 104 B7R1.3 Ic1cnccn1 PI-38885 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.3 N[n+]1ccccc1 PI-10984 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 Nc1cccnn1 PI-38601 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.3 Nc1ccnnc1 PI-35933 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.3 Nc1cnccn1 PI-29636 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.3 Nc1cncnc1 PI-38883 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.3 O=C1C=CC=NN1 PI-40006 [1,0,0,0,0,0|2,0,1]=4 111 B7R1.3 O=C1C=CNC=C1 PI-33984 [1,0,0,0,0,0|1,0,1]=3 112 B7R1.3 Oc1cncnc1 PI-36495 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.3 [S-]c1ccccc1 PI-17985 [1,0,0,0,0,0|0,1,0]=2 114 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.1 C1=C(C=NC(=N1)N)CO PI-45149 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [0,1,0,0,0,0|1,0,1]=3 123 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [0,1,0,0,0,0|0,0,2]=3 124 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [0,1,0,0,0,0|0,0,2]=3 125 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [0,1,0,0,0,0|0,0,0]=1 131 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [0,1,0,0,0,0|0,0,0]=1 132 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [0,1,0,0,0,0|0,1,0]=2 133 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.1 C1=CC(=NC=C1Br)C#N PI-23441 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.1 C1=CC(=NC=C1Br)NN PI-35293 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.1 C1=CC(=NC=C1C#N)Br PI-16041 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [0,1,0,0,0,0|1,0,2]=4 144 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [0,1,0,0,0,0|1,0,2]=4 145 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.1 C1=CC(=NC=C1Cl)C#N PI-10169 [0,1,0,0,0,0|2,0,1]=4 148 B9R1.1 C1=CC(=NC=C1F)C#N PI-40473 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.1 C1=CC(=NC=C1N)C#N PI-13117 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [0,1,0,0,0,0|1,0,2]=4 151 B9R1.1 C1=C[N+](=CC=C1C#N)[O-] PI-11388 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [0,1,0,0,0,0|1,0,1]=3 153 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [0,1,0,0,0,0|1,0,1]=3 155 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [0,1,0,0,0,0|1,0,1]=3 157 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.1 CC1=CN=C(C=C1)C#N PI-38220 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [0,1,0,0,0,0|1,0,2]=4 161 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [0,1,0,0,0,0|1,0,0]=2 163 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.1 CCC1=CN=C(N=C1)Cl PI-21315 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.1 CCc1ccc(C)cc1 PI-36542 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.1 CNc1ccc(cc1)Br PI-21585 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.1 COc1ccc(N)cn1 PI-16695 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.1 COc1ccc(O)cn1 PI-26700 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.1 COc1ccc(cc1)Br PI-34196 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.1 COc1ccc(cc1)I PI-33808 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.1 COc1ccc(cc1)O PI-31355 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.1 COc1ccc(cn1)Br PI-22840 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.1 CSc1ccc(cc1)O PI-18075 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.1 ClCc1cnc(C)nc1 PI-36502 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [0,1,0,0,0,0|1,0,1]=3 190 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [0,1,0,0,0,0|1,0,1]=3 191 B9R1.1 N#Cc1ccc(Cl)nc1 PI-16032 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.1 N#Cc1ccc(N)nc1 PI-28520 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [0,1,0,0,0,0|1,0,1]=3 194 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [0,1,0,0,0,0|1,0,1]=3 195 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.1 NCc1ccc(F)cc1 PI-11985 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.1 NCc1ccc(cc1)Br PI-20544 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.1 NCc1ccc(cc1)Br PI-38542 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.1 NNc1ccc(C)cc1 PI-13126 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [0,1,0,0,0,0|1,0,2]=4 202 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [0,1,0,0,0,0|1,0,2]=4 203 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [0,1,0,0,0,0|0,0,2]=3 204 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [0,1,0,0,0,0|0,0,2]=3 205 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [0,1,0,0,0,0|0,0,2]=3 206 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.1 OCc1ccc(S)cc1 PI-35674 [0,1,0,0,0,0|0,0,0]=1 208 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [0,1,0,0,0,0|0,0,0]=1 209 B9R1.1 OCc1ccc(cc1)I PI-33685 [0,1,0,0,0,0|0,0,0]=1 210 B9R1.1 OCc1ccc(cc1)O PI-29788 [0,1,0,0,0,0|0,0,0]=1 211 B9R1.1 OCc1ccc(cn1)Br PI-10546 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.1 OCc1cnc(cn1)Cl PI-39045 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.1 OCc1cnc(nc1)C PI-32943 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.2 BrCc1cccc(I)c1 PI-29628 [0,1,0,0,0,0|1,0,0]=2 216 B9R1.2 BrCc1cccc(c1)Br PI-13393 [0,1,0,0,0,0|1,0,0]=2 217 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [0,1,0,0,0,0|1,0,0]=2 218 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [0,1,0,0,0,0|1,0,2]=4 219 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [0,1,0,0,0,0|1,0,1]=3 220 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [0,1,0,0,0,0|1,0,1]=3 221 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [0,1,0,0,0,0|1,0,1]=3 222 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [0,1,0,0,0,0|1,0,1]=3 223 B9R1.2 C1=C(C=NC=C1Br)C#N PI-21589 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.2 C1=C(C=NC=C1F)NN PI-48989 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.2 C1=C(C=NC=C1N)C#N PI-36516 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [0,1,0,0,0,0|1,0,1]=3 229 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [0,1,0,0,0,0|1,0,0]=2 230 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [0,1,0,0,0,0|0,0,0]=1 231 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [0,1,0,0,0,0|1,0,0]=2 234 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [0,1,0,0,0,0|1,0,0]=2 235 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [0,1,0,0,0,0|0,0,0]=1 236 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [0,1,0,0,0,0|0,0,2]=3 238 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [0,1,0,0,0,0|0,0,2]=3 239 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [0,1,0,0,0,0|1,0,1]=3 240 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [0,1,0,0,0,0|1,0,0]=2 241 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [0,1,0,0,0,0|0,0,0]=1 242 B9R1.2 C1=CC(=C[N+](=C1)[O-])C#N PI-30158 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [0,1,0,0,0,0|1,0,2]=4 244 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [0,1,0,0,0,0|1,0,0]=2 247 B9R1.2 C1=CC(=NC(=C1)Br)NN PI-34719 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [0,1,0,0,0,0|1,0,0]=2 249 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [0,1,0,0,0,0|1,0,0]=2 250 B9R1.2 C1=CN=C(C=C1C#N)Br PI-38893 [0,1,0,0,0,0|2,0,1]=4 251 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.2 C1=CN=C(C=C1Cl)C#N PI-40241 [0,1,0,0,0,0|2,0,1]=4 255 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [0,1,0,0,0,0|1,0,1]=3 257 B9R1.2 C=Cc1cccc(c1)C PI-40767 [0,1,0,0,0,0|1,0,1]=3 258 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [0,1,0,0,0,0|0,0,2]=3 259 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [0,1,0,0,0,0|1,0,0]=2 260 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [0,1,0,0,0,0|1,0,2]=4 261 B9R1.2 CC1=CC(=NC=C1)C#N PI-11834 [0,1,0,0,0,0|2,0,1]=4 262 B9R1.2 CC1=CC=CC(=N1)C#N PI-44998 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [0,1,0,0,0,0|2,0,1]=4 264 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [0,1,0,0,0,0|1,0,2]=4 265 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.2 CCC1=CC(=NC=N1)Cl PI-47323 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.2 CCc1cccc(N)n1 PI-30318 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.2 CCc1ccnc(c1)N PI-30483 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.2 CNc1cccc(c1)F PI-29299 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.2 COc1cc(Br)cnc1 PI-38259 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.2 COc1cc(N)ccn1 PI-26277 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.2 COc1cc(N)cnc1 PI-33855 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.2 COc1cccc(c1)O PI-34658 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [0,1,0,0,0,0|2,0,0]=3 289 B9R1.2 CSc1cccc(c1)N PI-11908 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [0,1,0,0,0,0|1,0,2]=4 291 B9R1.2 Clc1cccc(c1)C#N PI-31301 [0,1,0,0,0,0|1,0,1]=3 292 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [0,1,0,0,0,0|1,0,2]=4 293 B9R1.2 Fc1cc(cnc1)C#N PI-38882 [0,1,0,0,0,0|2,0,1]=4 294 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [0,1,0,0,0,0|1,0,1]=3 295 B9R1.2 N#Cc1cccc(c1)I PI-10114 [0,1,0,0,0,0|1,0,1]=3 296 B9R1.2 N#Cc1cccc(n1)Br PI-44992 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.2 N#Cc1ccnc(Cl)c1 PI-10231 [0,1,0,0,0,0|2,0,1]=4 298 B9R1.2 N#Cc1ccnc(N)c1 PI-10170 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.2 N#Cc1ccnc(O)c1 PI-20781 [0,1,0,0,0,0|2,0,1]=4 300 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [0,1,0,0,0,0|1,0,0]=2 302 B9R1.2 NCc1cccc(c1)Br PI-21372 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.2 NCc1cccc(c1)Br PI-38545 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.2 NCc1cccc(c1)F PI-23480 [0,1,0,0,0,0|1,0,0]=2 305 B9R1.2 NNc1cccc(Cl)n1 PI-34718 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.2 NNc1cccc(c1)Br PI-29422 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.2 NNc1cccc(c1)C PI-29814 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [0,1,0,0,0,0|0,0,2]=3 309 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [0,1,0,0,0,0|0,0,2]=3 310 B9R1.2 O=Cc1cccc(c1)F PI-11925 [0,1,0,0,0,0|0,0,2]=3 311 B9R1.2 O=Cc1cccc(c1)N PI-11906 [0,1,0,0,0,0|0,0,2]=3 312 B9R1.2 O=Cc1cccc(c1)O PI-34273 [0,1,0,0,0,0|0,0,2]=3 313 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [0,1,0,0,0,0|1,0,2]=4 314 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [0,1,0,0,0,0|1,0,2]=4 315 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [0,1,0,0,0,0|1,0,0]=2 316 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [0,1,0,0,0,0|1,0,0]=2 317 B9R1.2 OCc1cccc(c1)C PI-38620 [0,1,0,0,0,0|0,0,0]=1 318 B9R1.2 OCc1cccc(c1)Cl PI-11919 [0,1,0,0,0,0|0,0,0]=1 319 B9R1.2 SCc1cccc(F)c1 PI-23495 [0,1,0,0,0,0|0,1,0]=2 320 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,1,0,0,0,0|2,0,1]=4 323 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,1,0,0,0,0|1,0,2]=4 324 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,1,0,0,0,0|1,0,2]=4 325 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,1,0,0,0,0|1,1,1]=4 326 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,1,0,0,0,0|0,0,2]=3 327 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,1,0,0,0,0|1,0,2]=4 328 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,1,0,0,0,0|1,0,1]=3 329 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,1,0,0,0,0|2,0,1]=4 330 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,1,0,0,0,0|2,0,1]=4 331 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,1,0,0,0,0|1,0,2]=4 332 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,1,0,0,0,0|1,0,2]=4 333 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,1,0,0,0,0|1,1,1]=4 334 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,1,0,0,0,0|2,0,1]=4 335 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,1,0,0,0,0|1,0,2]=4 337 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,1,0,0,0,0|1,0,2]=4 338 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,1,0,0,0,0|1,0,2]=4 339 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.6 CC(c1ccccn1)N PI-38576 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.6 CC(c1ccncc1)N PI-38572 [0,1,0,0,0,0|2,0,0]=3 345 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,1,0,0,0,0|2,0,0]=3 347 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,1,0,0,0,0|0,0,0]=1 348 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,1,0,0,0,0|1,0,0]=2 349 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,1,0,0,0,0|2,0,0]=3 350 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,1,0,0,0,0|1,0,0]=2 351 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,1,0,0,0,0|1,0,0]=2 352 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,1,0,0,0,0|1,0,0]=2 353 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,1,0,0,0,0|1,0,0]=2 354 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,1,0,0,0,0|1,0,0]=2 355 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,1,0,0,0,0|0,0,0]=1 356 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,1,0,0,0,0|1,1,0]=3 357 B9R1.6 FC(c1ccccn1)F PI-35198 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,1,0,0,0,0|2,0,1]=4 359 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,1,0,0,0,0|2,0,1]=4 360 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,1,0,0,0,0|2,0,1]=4 361 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,1,0,0,0,0|1,0,1]=3 362 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,1,0,0,0,0|2,0,1]=4 363 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,1,0,0,0,0|1,0,2]=4 364 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,1,0,0,0,0|0,1,1]=3 365 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,1,0,0,0,0|2,0,1]=4 366 B9R1.6 OB(C1=NC=NC=C1)O PI-39710 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.6 OB(O)c1ccccc1 PI-16480 [0,1,0,0,0,0|1,0,0]=2 368 B9R1.6 OB(c1ccccn1)O PI-25302 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.6 OB(c1ccncc1)O PI-16484 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.6 OB(c1cncnc1)O PI-25045 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,1,0,0,0,0|1,0,1]=3 372 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,1,0,0,0,0|2,0,1]=4 373 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,1,0,0,0,0|1,0,2]=4 374 B9R1.8 BrC#Cc1ccccc1 PI-38808 [0,1,0,0,0,0|1,0,1]=3 375 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [0,1,0,0,0,0|1,0,0]=2 376 B9R1.8 C1=CC(=CN=C1)N=C=S PI-43942 [0,1,0,0,0,0|1,1,1]=4 377 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [0,1,0,0,0,0|1,0,1]=3 378 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [0,1,0,0,0,0|0,1,0]=2 379 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [0,1,0,0,0,0|0,0,0]=1 382 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [0,1,0,0,0,0|2,1,0]=4 385 B9R1.8 C1=CN=C(N=C1)C=NO PI-32947 [0,1,0,0,0,0|2,0,1]=4 386 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [0,1,0,0,0,0|1,0,1]=3 387 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [0,1,0,0,0,0|1,0,0]=2 388 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [0,1,0,0,0,0|1,0,1]=3 389 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [0,1,0,0,0,0|2,0,0]=3 391 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [0,1,0,0,0,0|2,0,0]=3 392 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [0,1,0,0,0,0|2,0,0]=3 393 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.8 COCC1=CC=CC=C1 PI-19695 [0,1,0,0,0,0|0,0,0]=1 397 B9R1.8 COCc1ccccn1 PI-38670 [0,1,0,0,0,0|1,0,0]=2 398 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [0,1,0,0,0,0|1,0,1]=3 399 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [0,1,0,0,0,0|1,0,1]=3 400 B9R1.8 N#CCc1ccccn1 PI-16690 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.8 N#CCc1cccnc1 PI-32834 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.8 N#CCc1ccncc1 PI-10376 [0,1,0,0,0,0|2,0,0]=3 403 B9R1.8 NCCc1cccnc1 PI-23439 [0,1,0,0,0,0|2,0,0]=3 404 B9R1.8 NCCc1ccncc1 PI-15907 [0,1,0,0,0,0|2,0,0]=3 405 B9R1.8 NOCc1ccccc1 PI-11329 [0,1,0,0,0,0|0,0,0]=1 406 B9R1.8 O=C=Nc1cccnc1 PI-38566 [0,1,0,0,0,0|1,0,2]=4 407 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [0,1,0,0,0,0|1,0,0]=2 408 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [0,1,0,0,0,0|0,0,0]=1 409 B9R1.8 O\N=C\c1ccccn1 PI-38007 [0,1,0,0,0,0|1,0,1]=3 410 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [0,1,0,0,0,0|1,0,2]=4 411 B9R1.15 BrCc1ccccc1Br PI-11809 [0,1,0,0,0,0|1,0,0]=2 412 B9R1.15 BrCc1ccccc1I PI-29573 [0,1,0,0,0,0|1,0,0]=2 413 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [0,1,0,0,0,0|1,0,1]=3 414 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [0,1,0,0,0,0|1,0,1]=3 415 B9R1.15 C#Cc1ccccc1Br PI-30911 [0,1,0,0,0,0|1,0,1]=3 416 B9R1.15 C1=CC(=C(N=C1)C#N)I PI-35289 [0,1,0,0,0,0|2,0,1]=4 417 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [0,1,0,0,0,0|2,0,1]=4 418 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [0,1,0,0,0,0|1,0,2]=4 419 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [0,1,0,0,0,0|2,0,0]=3 421 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [0,1,0,0,0,0|1,0,0]=2 422 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [0,1,0,0,0,0|1,0,0]=2 423 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [0,1,0,0,0,0|1,0,2]=4 424 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [0,1,0,0,0,0|1,0,0]=2 425 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [0,1,0,0,0,0|1,0,2]=4 426 B9R1.15 C1=CC(=C(N=C1)N)C#N PI-28310 [0,1,0,0,0,0|2,0,1]=4 427 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [0,1,0,0,0,0|1,0,1]=3 429 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [0,1,0,0,0,0|0,0,2]=3 430 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [0,1,0,0,0,0|1,0,0]=2 431 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [0,1,0,0,0,0|1,0,0]=2 433 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [0,1,0,0,0,0|1,0,0]=2 434 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [0,1,0,0,0,0|1,0,0]=2 435 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [0,1,0,0,0,0|1,0,0]=2 436 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [0,1,0,0,0,0|0,0,0]=1 437 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [0,1,0,0,0,0|0,0,0]=1 438 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [0,1,0,0,0,0|0,0,0]=1 439 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [0,1,0,0,0,0|0,1,0]=2 440 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [0,1,0,0,0,0|0,1,0]=2 441 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [0,1,0,0,0,0|2,0,0]=3 442 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [0,1,0,0,0,0|2,0,0]=3 445 B9R1.15 C1=CN=CC(=C1C#N)Cl PI-32517 [0,1,0,0,0,0|2,0,1]=4 446 B9R1.15 C1=CN=CC(=C1C#N)N PI-35285 [0,1,0,0,0,0|2,0,1]=4 447 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [0,1,0,0,0,0|1,0,2]=4 448 B9R1.15 C1=CN=CC(=C1Cl)C#N PI-48248 [0,1,0,0,0,0|2,0,1]=4 449 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [0,1,0,0,0,0|1,0,0]=2 450 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [0,1,0,0,0,0|1,0,2]=4 451 B9R1.15 C1=CNC(=O)C(=C1)C#N PI-35286 [0,1,0,0,0,0|2,0,1]=4 452 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [0,1,0,0,0,0|1,0,1]=3 453 B9R1.15 C=Cc1ccccc1F PI-33746 [0,1,0,0,0,0|1,0,1]=3 454 B9R1.15 CC1=C(N=CC=C1)C#N PI-16162 [0,1,0,0,0,0|2,0,1]=4 455 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [0,1,0,0,0,0|0,0,2]=3 456 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [0,1,0,0,0,0|1,0,0]=2 457 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [0,1,0,0,0,0|1,0,0]=2 458 B9R1.15 CCC1=CC=CC=C1I PI-19242 [0,1,0,0,0,0|1,0,0]=2 459 B9R1.15 CCC1=NC=CN=C1C PI-11842 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [0,1,0,0,0,0|2,0,0]=3 461 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [0,1,0,0,0,0|2,0,0]=3 462 B9R1.15 CCc1ccccc1C PI-36541 [0,1,0,0,0,0|1,0,0]=2 463 B9R1.15 CCc1nccnc1C PI-11841 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.15 CCc1ncncc1F PI-15252 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.15 CNC1=CC=CC=C1F PI-28236 [0,1,0,0,0,0|2,0,0]=3 466 B9R1.15 CNC1=CC=CC=C1N PI-23401 [0,1,0,0,0,0|2,0,0]=3 467 B9R1.15 CNC1=CC=CC=C1N PI-28564 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.15 CNc1cccnc1Cl PI-32645 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.15 COC1=CC=CC=C1Br PI-34200 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.15 COC1=CC=CC=C1F PI-12348 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.15 COC1=CC=CC=C1I PI-50209 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.15 COc1ccc[nH]c1=O PI-26288 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.15 COc1ccccc1S PI-21364 [0,1,0,0,0,0|2,0,0]=3 478 B9R1.15 COc1cccnc1Br PI-26342 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.15 COc1cccnc1Cl PI-27671 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [0,1,0,0,0,0|2,0,0]=3 481 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.15 CSC1=CC=CC=C1F PI-11849 [0,1,0,0,0,0|2,0,0]=3 483 B9R1.15 CSC1=CC=CC=C1O PI-20874 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.15 CSc1ccccc1I PI-13705 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.15 N#Cc1ccccc1Br PI-11808 [0,1,0,0,0,0|1,0,1]=3 486 B9R1.15 N#Cc1ccccc1Cl PI-34735 [0,1,0,0,0,0|1,0,1]=3 487 B9R1.15 N#Cc1ccccc1F PI-27555 [0,1,0,0,0,0|1,0,1]=3 488 B9R1.15 N#Cc1ccccc1N PI-11517 [0,1,0,0,0,0|1,0,1]=3 489 B9R1.15 N#Cc1ccccc1O PI-11836 [0,1,0,0,0,0|1,0,1]=3 490 B9R1.15 N#Cc1cccnc1Cl PI-16699 [0,1,0,0,0,0|2,0,1]=4 491 B9R1.15 N#Cc1cccnc1F PI-24385 [0,1,0,0,0,0|2,0,1]=4 492 B9R1.15 N#Cc1ccncc1F PI-32520 [0,1,0,0,0,0|2,0,1]=4 493 B9R1.15 N#Cc1cnccc1Br PI-35912 [0,1,0,0,0,0|2,0,1]=4 494 B9R1.15 N#Cc1cnccc1C PI-16376 [0,1,0,0,0,0|2,0,1]=4 495 B9R1.15 N#Cc1ncccc1Br PI-32202 [0,1,0,0,0,0|2,0,1]=4 496 B9R1.15 N#Cc1ncccc1Cl PI-32518 [0,1,0,0,0,0|2,0,1]=4 497 B9R1.15 N#Cc1ncccc1F PI-32519 [0,1,0,0,0,0|2,0,1]=4 498 B9R1.15 NC1=NC=CC=C1OC PI-39996 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.15 NCC1=NC=CN=C1Cl PI-42457 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.15 NCc1ccccc1Br PI-38543 [0,1,0,0,0,0|1,0,0]=2 501 B9R1.15 NCc1ncccc1C PI-36263 [0,1,0,0,0,0|2,0,0]=3 502 B9R1.15 NNc1ccccc1C PI-29808 [0,1,0,0,0,0|2,0,0]=3 503 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [0,1,0,0,0,0|1,0,2]=4 504 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [0,1,0,0,0,0|0,0,2]=3 505 B9R1.15 O=Cc1ccccc1Cl PI-34387 [0,1,0,0,0,0|0,0,2]=3 506 B9R1.15 O=Cc1ccccc1F PI-27600 [0,1,0,0,0,0|0,0,2]=3 507 B9R1.15 O=Cc1cccnc1N PI-15940 [0,1,0,0,0,0|1,0,2]=4 508 B9R1.15 O=Cc1cnccc1Br PI-36813 [0,1,0,0,0,0|1,0,2]=4 509 B9R1.15 OCc1ccccc1F PI-28537 [0,1,0,0,0,0|0,0,0]=1 510 B9R1.15 OCc1ccccc1O PI-36548 [0,1,0,0,0,0|0,0,0]=1 511 B9R1.15 OCc1cccnc1N PI-33953 [0,1,0,0,0,0|1,0,0]=2 512 B9R1.15 SCc1ccccc1F PI-23494 [0,1,0,0,0,0|0,1,0]=2 513 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [0,1,0,0,0,0|2,0,0]=3 514 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [0,0,0,1,0,0|1,0,0]=2 515 B7R1.1 BrCc1cscc1 PI-14311 [0,0,0,0,1,0|2,0,0]=3 516 B7R1.1 C#CC1=CC=CS1 PI-44556 [0,0,0,0,1,0|2,0,1]=4 517 B7R1.1 C#Cc1cscc1 PI-39299 [0,0,0,0,1,0|2,0,1]=4 518 B7R1.1 C1=C(N=CS1)CCl PI-11980 [0,0,0,0,1,0|3,0,0]=4 519 B7R1.1 C1=C(N=CS1)CCl PI-48844 [0,0,0,0,1,0|3,0,0]=4 520 B7R1.1 C1=C(NC=N1)CO PI-31940 [0,0,0,0,1,0|2,0,0]=3 521 B7R1.1 C1=C(SC=N1)CN PI-45069 [0,0,0,0,1,0|3,0,0]=4 522 B7R1.1 C1=C(SC=N1)CN PI-45398 [0,0,0,0,1,0|3,0,0]=4 523 B7R1.1 C1=C(SC=N1)CO PI-12202 [0,0,0,0,1,0|2,0,0]=3 524 B7R1.1 C1=CNC=C1C=O PI-34088 [0,0,0,0,1,0|1,0,2]=4 525 B7R1.1 C1=COC(=C1)CS PI-48474 [0,0,0,0,1,0|1,1,0]=3 526 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,0,0,0,1,0|1,0,2]=4 527 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,0,0,0,1,0|2,0,0]=3 528 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,0,0,0,1,0|1,0,0]=2 529 B7R1.1 C1=CSC(=N1)CN PI-45385 [0,0,0,0,1,0|3,0,0]=4 530 B7R1.1 C1=CSC=C1C#N PI-20214 [0,0,0,0,1,0|2,0,1]=4 531 B7R1.1 C1=CSC=C1CN PI-31789 [0,0,0,0,1,0|2,0,0]=3 532 B7R1.1 C1=N[NH]C=C1CO PI-39407 [0,0,0,0,1,0|2,0,0]=3 533 B7R1.1 CCC1=CC=CS1 PI-10993 [0,0,0,0,1,0|2,0,0]=3 534 B7R1.1 CCC1=CSC=C1 PI-35073 [0,0,0,0,1,0|2,0,0]=3 535 B7R1.1 CCN1C=CC=C1 PI-12065 [0,0,0,0,1,0|2,0,0]=3 536 B7R1.1 CCc1ncc[nH]1 PI-31817 [0,0,0,0,1,0|3,0,0]=4 537 B7R1.1 CCn1cccn1 PI-35920 [0,0,0,0,1,0|3,0,0]=4 538 B7R1.1 COc1cccs1 PI-33573 [0,0,0,0,1,0|3,0,0]=4 539 B7R1.1 COc1cscc1 PI-27269 [0,0,0,0,1,0|3,0,0]=4 540 B7R1.1 CSC1=CSC=C1 PI-29322 [0,0,0,0,1,0|3,0,0]=4 541 B7R1.1 N#Cc1cccs1 PI-10787 [0,0,0,0,1,0|2,0,1]=4 542 B7R1.1 NCc1cccs1 PI-11152 [0,0,0,0,1,0|2,0,0]=3 543 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,0,0,0,1,0|1,0,2]=4 544 B7R1.1 O=Cc1cscc1 PI-10763 [0,0,0,0,1,0|1,0,2]=4 545 B7R1.1 OCC1=NC=CN1 PI-36879 [0,0,0,0,1,0|2,0,0]=3 546 B7R1.1 OCC1CC=CC1 PI-35499 [0,0,0,0,1,0|0,0,3]=4 547 B7R1.1 OCc1c[nH]cn1 PI-27482 [0,0,0,0,1,0|2,0,0]=3 548 B7R1.1 OCc1cnco1 PI-38536 [0,0,0,0,1,0|2,0,0]=3 549 B7R1.1 OCc1cscc1 PI-29874 [0,0,0,0,1,0|1,0,0]=2 550 B7R1.1 OCc1cscn1 PI-25015 [0,0,0,0,1,0|2,0,0]=3 551 B7R1.1 OCc1nccs1 PI-38807 [0,0,0,0,1,0|2,0,0]=3 552 B6R0.6 CC=CC=CCO PI-24146 [1,0,1,0,0,0|0,0,1]=3 553 B6R1.1 C1=CN=CC=N1 PI-14237 [2,0,0,0,0,0|2,0,0]=4 554 B6R1.1 c1[c-]cccc1 PI-15765 [2,0,0,0,0,0|0,0,1]=3 555 B6R1.1 c1[c-]cccc1 PI-24613 [2,0,0,0,0,0|0,0,1]=3 556 B6R1.1 c1cccn[c-]1 PI-24182 [2,0,0,0,0,0|1,0,1]=4 557 B6R1.1 c1cccnc1 PI-14207 [2,0,0,0,0,0|1,0,0]=3 558 B6R1.1 c1ccncn1 PI-11036 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.3 Brc1ccc(C)cn1 PI-10149 [1,1,0,0,0,0|1,0,0]=3 560 B8R1.3 Brc1ccc(I)cc1 PI-21525 [1,1,0,0,0,0|1,0,0]=3 561 B8R1.3 Brc1ccc(cn1)F PI-23448 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.3 Brc1ccc(cn1)N PI-31056 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.3 C1=C(C=NC(=N1)Cl)O PI-40987 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.3 C1=C(I)C=CC(=N1)Br PI-38918 [1,1,0,0,0,0|2,0,0]=4 565 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [1,1,0,0,0,0|1,0,0]=3 566 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [1,1,0,0,0,0|1,0,0]=3 567 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [1,1,0,0,0,0|0,1,0]=3 568 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [1,1,0,0,0,0|0,1,0]=3 569 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [1,1,0,0,0,0|0,1,0]=3 570 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [1,1,0,0,0,0|0,1,0]=3 571 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.3 C1=CC(=NC=C1Br)I PI-22827 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.3 C1=CC(=NC=C1Cl)Br PI-10389 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [1,1,0,0,0,0|2,0,0]=4 575 B8R1.3 C1=CC(=NC=C1Cl)I PI-34652 [1,1,0,0,0,0|2,0,0]=4 576 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [1,1,0,0,0,0|2,0,0]=4 577 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [1,1,0,0,0,0|2,0,0]=4 578 B8R1.3 C1=CC(=NC=C1I)Cl PI-20140 [1,1,0,0,0,0|2,0,0]=4 579 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [1,1,0,0,0,0|2,0,0]=4 580 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [1,1,0,0,0,0|2,0,0]=4 581 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [1,1,0,0,0,0|1,0,0]=3 582 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [1,1,0,0,0,0|1,0,0]=3 583 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [1,1,0,0,0,0|1,0,0]=3 584 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [1,1,0,0,0,0|1,0,0]=3 585 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [1,1,0,0,0,0|2,0,0]=4 586 B8R1.3 CC1=CN=C(C=N1)N PI-48187 [1,1,0,0,0,0|2,0,0]=4 587 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [1,1,0,0,0,0|1,0,0]=3 588 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [1,1,0,0,0,0|1,0,0]=3 589 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [1,1,0,0,0,0|1,0,0]=3 590 B8R1.3 CC1=NC=C(C=N1)Br PI-35175 [1,1,0,0,0,0|2,0,0]=4 591 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.3 CC1=NC=C(C=N1)N PI-32948 [1,1,0,0,0,0|2,0,0]=4 593 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [1,1,0,0,0,0|2,0,0]=4 594 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [1,1,0,0,0,0|1,0,0]=3 597 B8R1.3 Cc1ccc(Cl)nn1 PI-30064 [1,1,0,0,0,0|2,0,0]=4 598 B8R1.3 Cc1ccc(F)cc1 PI-34120 [1,1,0,0,0,0|0,0,0]=2 599 B8R1.3 Cc1ccc(I)cc1 PI-13709 [1,1,0,0,0,0|0,0,0]=2 600 B8R1.3 Cc1ccc(cn1)Br PI-23479 [1,1,0,0,0,0|1,0,0]=3 601 B8R1.3 Cc1ccc(cn1)N PI-13104 [1,1,0,0,0,0|1,0,0]=3 602 B8R1.3 Cc1ncc(nc1)Br PI-36981 [1,1,0,0,0,0|2,0,0]=4 603 B8R1.3 Clc1ccc(Br)cn1 PI-31223 [1,1,0,0,0,0|2,0,0]=4 604 B8R1.3 Clc1ccc(Cl)nc1 PI-10179 [1,1,0,0,0,0|2,0,0]=4 605 B8R1.3 Clc1ccc(cn1)C PI-16696 [1,1,0,0,0,0|1,0,0]=3 606 B8R1.3 Clc1ccc(cn1)N PI-10026 [1,1,0,0,0,0|2,0,0]=4 607 B8R1.3 Clc1cnc(O)nc1 PI-21321 [1,1,0,0,0,0|2,0,0]=4 608 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [1,1,0,0,0,0|1,0,0]=3 609 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [1,1,0,0,0,0|1,0,0]=3 610 B8R1.3 Fc1ccc(I)cc1 PI-15769 [1,1,0,0,0,0|1,0,0]=3 611 B8R1.3 Fc1ccc(N)cn1 PI-10292 [1,1,0,0,0,0|2,0,0]=4 612 B8R1.3 Fc1ccc(cc1)F PI-11683 [1,1,0,0,0,0|1,0,0]=3 613 B8R1.3 Fc1ccc(cn1)F PI-35922 [1,1,0,0,0,0|2,0,0]=4 614 B8R1.3 Ic1ccc(cc1)I PI-10976 [1,1,0,0,0,0|1,0,0]=3 615 B8R1.3 Ic1ccc(cn1)I PI-32190 [1,1,0,0,0,0|2,0,0]=4 616 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [1,1,0,0,0,0|2,0,0]=4 617 B8R1.3 Nc1ccc(O)cc1 PI-34110 [1,1,0,0,0,0|0,0,0]=2 618 B8R1.3 Nc1ccc(cc1)F PI-33065 [1,1,0,0,0,0|1,0,0]=3 619 B8R1.3 Nc1ccc(cc1)I PI-25653 [1,1,0,0,0,0|1,0,0]=3 620 B8R1.3 Nc1ccc(cn1)Br PI-22846 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.3 Nc1ccc(cn1)C PI-25208 [1,1,0,0,0,0|1,0,0]=3 622 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [1,1,0,0,0,0|2,0,0]=4 623 B8R1.3 Nc1ccc(cn1)I PI-10252 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [1,1,0,0,0,0|1,0,0]=3 625 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [1,1,0,0,0,0|1,0,0]=3 626 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [1,1,0,0,0,0|0,0,0]=2 627 B8R1.3 Oc1ccc(I)cc1 PI-10956 [1,1,0,0,0,0|0,0,0]=2 628 B8R1.3 Oc1ccc(cc1)F PI-27532 [1,1,0,0,0,0|0,0,0]=2 629 B8R1.3 Oc1ccc(cc1)S PI-21361 [1,1,0,0,0,0|0,0,0]=2 630 B8R1.3 Oc1ccc(cn1)Br PI-16568 [1,1,0,0,0,0|1,0,0]=3 631 B8R1.3 Oc1ccc(cn1)C PI-37410 [1,1,0,0,0,0|1,0,0]=3 632 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [1,1,0,0,0,0|1,0,0]=3 633 B8R1.3 Oc1ccc(cn1)F PI-34437 [1,1,0,0,0,0|1,0,0]=3 634 B8R1.3 Oc1ccc(cn1)N PI-28402 [1,1,0,0,0,0|1,0,0]=3 635 B8R1.3 Oc1cnc(N)nc1 PI-36493 [1,1,0,0,0,0|2,0,0]=4 636 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [1,1,0,0,0,0|1,0,0]=3 637 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [1,1,0,0,0,0|1,0,1]=4 638 B8R1.4 Brc1cccc(I)c1 PI-21524 [1,1,0,0,0,0|1,0,0]=3 639 B8R1.4 Brc1cccc(I)n1 PI-36513 [1,1,0,0,0,0|2,0,0]=4 640 B8R1.4 Brc1cccc(c1)Br PI-11676 [1,1,0,0,0,0|1,0,0]=3 641 B8R1.4 Brc1cccc(n1)Br PI-31381 [1,1,0,0,0,0|2,0,0]=4 642 B8R1.4 Brc1ccnc(c1)C PI-32240 [1,1,0,0,0,0|1,0,0]=3 643 B8R1.4 Brc1ccnc(c1)Cl PI-31296 [1,1,0,0,0,0|2,0,0]=4 644 B8R1.4 Brc1ccnc(c1)N PI-35022 [1,1,0,0,0,0|2,0,0]=4 645 B8R1.4 Brc1cncc(Br)c1 PI-10080 [1,1,0,0,0,0|2,0,0]=4 646 B8R1.4 C1=C(C=NC=C1Br)Cl PI-34454 [1,1,0,0,0,0|2,0,0]=4 647 B8R1.4 C1=C(C=NC=C1Br)F PI-10088 [1,1,0,0,0,0|2,0,0]=4 648 B8R1.4 C1=C(C=NC=C1Br)N PI-10515 [1,1,0,0,0,0|2,0,0]=4 649 B8R1.4 C1=C(C=NC=C1Cl)Cl PI-32420 [1,1,0,0,0,0|2,0,0]=4 650 B8R1.4 C1=C(C=NC=C1Cl)F PI-34439 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [1,1,0,0,0,0|1,0,0]=3 652 B8R1.4 C1=C(N=CNC1=O)O PI-15320 [1,1,0,0,0,0|2,0,0]=4 653 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [1,1,0,0,0,0|1,0,0]=3 654 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [1,1,0,0,0,0|0,1,0]=3 655 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [1,1,0,0,0,0|0,0,0]=2 656 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [1,1,0,0,0,0|1,0,0]=3 657 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [1,1,0,0,0,0|1,0,0]=3 658 B8R1.4 C1=CC(=C[N+](=C1)[O-])Br PI-42571 [1,1,0,0,0,0|1,0,1]=4 659 B8R1.4 C1=CC(=C[N+](=C1)[O-])Cl PI-42572 [1,1,0,0,0,0|1,0,1]=4 660 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [1,1,0,0,0,0|1,0,0]=3 661 B8R1.4 C1=CC(=NC(=C1)Br)F PI-33061 [1,1,0,0,0,0|2,0,0]=4 662 B8R1.4 C1=CC(=NC(=C1)Br)N PI-14243 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.4 C1=CC(=NC(=C1)Cl)F PI-34440 [1,1,0,0,0,0|2,0,0]=4 664 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [1,1,0,0,0,0|1,0,1]=4 665 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [1,1,0,0,0,0|1,0,0]=3 666 B8R1.4 C1=CN=C(C=C1Br)F PI-24079 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.4 C1=CN=C(C=C1F)F PI-40869 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.4 C1=CN=C(C=C1I)Cl PI-11387 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [1,1,0,0,0,0|1,0,1]=4 670 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [1,1,0,0,0,0|1,0,1]=4 671 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [1,1,0,0,0,0|1,0,1]=4 672 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [1,1,0,0,0,0|1,0,0]=3 673 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [1,1,0,0,0,0|0,0,0]=2 674 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [1,1,0,0,0,0|1,0,0]=3 675 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [1,1,0,0,0,0|1,0,0]=3 676 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [1,1,0,0,0,0|1,0,0]=3 677 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [1,1,0,0,0,0|1,0,0]=3 678 B8R1.4 CC1=CC(=NC=N1)Br PI-45128 [1,1,0,0,0,0|2,0,0]=4 679 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [1,1,0,0,0,0|2,0,0]=4 680 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [1,1,0,0,0,0|2,0,0]=4 681 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [1,1,0,0,0,0|1,0,0]=3 682 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [1,1,0,0,0,0|2,0,0]=4 683 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [1,1,0,0,0,0|1,0,0]=3 684 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [1,1,0,0,0,0|1,0,0]=3 685 B8R1.4 CC1=NC(=NC=C1)Br PI-21314 [1,1,0,0,0,0|2,0,0]=4 686 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [1,1,0,0,0,0|1,0,0]=3 687 B8R1.4 Cc1cc[nH]c(=O)n1 PI-21340 [1,1,0,0,0,0|2,0,0]=4 688 B8R1.4 Cc1cccc(N)n1 PI-32836 [1,1,0,0,0,0|1,0,0]=3 689 B8R1.4 Cc1cccc(n1)Cl PI-28225 [1,1,0,0,0,0|1,0,0]=3 690 B8R1.4 Cc1cccc(n1)F PI-16770 [1,1,0,0,0,0|1,0,0]=3 691 B8R1.4 Cc1ccnc(Cl)n1 PI-32949 [1,1,0,0,0,0|2,0,0]=4 692 B8R1.4 Cc1ccnc(N)c1 PI-32462 [1,1,0,0,0,0|1,0,0]=3 693 B8R1.4 Cc1ccnc(c1)F PI-23598 [1,1,0,0,0,0|1,0,0]=3 694 B8R1.4 Cc1ccnc(n1)N PI-21305 [1,1,0,0,0,0|2,0,0]=4 695 B8R1.4 Cc1ccnc(n1)S PI-21344 [1,1,0,0,0,0|2,0,0]=4 696 B8R1.4 Cc1cncc(Br)n1 PI-32830 [1,1,0,0,0,0|2,0,0]=4 697 B8R1.4 Clc1cccc(c1)I PI-39251 [1,1,0,0,0,0|1,0,0]=3 698 B8R1.4 Clc1ccnc(Cl)c1 PI-16701 [1,1,0,0,0,0|2,0,0]=4 699 B8R1.4 Clc1ccnc(c1)N PI-11783 [1,1,0,0,0,0|2,0,0]=4 700 B8R1.4 Clc1ccnc(n1)C PI-38934 [1,1,0,0,0,0|2,0,0]=4 701 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [1,1,0,0,0,0|1,0,0]=3 702 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [1,1,0,0,0,0|1,0,0]=3 703 B8R1.4 Fc1cccc(c1)F PI-11677 [1,1,0,0,0,0|1,0,0]=3 704 B8R1.4 Fc1cccc(c1)S PI-16910 [1,1,0,0,0,0|0,1,0]=3 705 B8R1.4 Fc1cccc(n1)F PI-11766 [1,1,0,0,0,0|2,0,0]=4 706 B8R1.4 Fc1ccnc(Cl)c1 PI-16761 [1,1,0,0,0,0|2,0,0]=4 707 B8R1.4 Fc1ccnc(c1)Br PI-34451 [1,1,0,0,0,0|2,0,0]=4 708 B8R1.4 Fc1cncc(c1)F PI-33060 [1,1,0,0,0,0|2,0,0]=4 709 B8R1.4 Ic1ccnc(Br)c1 PI-27035 [1,1,0,0,0,0|2,0,0]=4 710 B8R1.4 Ic1ccnc(N)c1 PI-36261 [1,1,0,0,0,0|2,0,0]=4 711 B8R1.4 Ic1ccnc(c1)F PI-34431 [1,1,0,0,0,0|2,0,0]=4 712 B8R1.4 NC1=CC(=CN=C1)F PI-40469 [1,1,0,0,0,0|2,0,0]=4 713 B8R1.4 NC1=CC(N)=NC=C1 PI-37257 [1,1,0,0,0,0|2,0,0]=4 714 B8R1.4 NC1=NC=CC(=C1)F PI-39567 [1,1,0,0,0,0|2,0,0]=4 715 B8R1.4 Nc1cccc(F)c1 PI-16946 [1,1,0,0,0,0|1,0,0]=3 716 B8R1.4 Nc1cccc(F)n1 PI-15934 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.4 Nc1cccc(N)n1 PI-33126 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.4 Nc1cccc(S)c1 PI-21351 [1,1,0,0,0,0|0,1,0]=3 719 B8R1.4 Nc1cccc(n1)Cl PI-27605 [1,1,0,0,0,0|2,0,0]=4 720 B8R1.4 Nc1ccnc(c1)Br PI-23436 [1,1,0,0,0,0|2,0,0]=4 721 B8R1.4 Nc1ccnc(c1)Cl PI-23438 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.4 O=C1C=CC=C(Cl)N1 PI-35283 [1,1,0,0,0,0|1,0,1]=4 723 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [1,1,0,0,0,0|1,0,0]=3 724 B8R1.4 Oc1cccc(c1)I PI-10955 [1,1,0,0,0,0|0,0,0]=2 725 B8R1.4 Oc1cccc(c1)S PI-21360 [1,1,0,0,0,0|0,0,0]=2 726 B8R1.4 Oc1ccnc(c1)N PI-34188 [1,1,0,0,0,0|1,0,0]=3 727 B8R1.4 Oc1ccnc(n1)Cl PI-38931 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.4 Oc1cncc(c1)Br PI-27886 [1,1,0,0,0,0|1,0,0]=3 729 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [1,1,0,0,0,0|0,1,0]=3 730 B8R1.4 [O-][n+]1cccc(F)c1 PI-33008 [1,1,0,0,0,0|1,0,1]=4 731 B8R1.5 BrC1=NC=CC=C1N PI-28492 [1,1,0,0,0,0|2,0,0]=4 732 B8R1.5 Brc1ccccc1Br PI-38145 [1,1,0,0,0,0|1,0,0]=3 733 B8R1.5 Brc1cccnc1Cl PI-28602 [1,1,0,0,0,0|2,0,0]=4 734 B8R1.5 Brc1cccnc1N PI-30126 [1,1,0,0,0,0|2,0,0]=4 735 B8R1.5 C1=CC(=C(N=C1)Br)Br PI-28122 [1,1,0,0,0,0|2,0,0]=4 736 B8R1.5 C1=CC(=C(N=C1)Br)Cl PI-27992 [1,1,0,0,0,0|2,0,0]=4 737 B8R1.5 C1=CC(=C(N=C1)Br)F PI-34450 [1,1,0,0,0,0|2,0,0]=4 738 B8R1.5 C1=CC(=C(N=C1)Cl)Cl PI-10112 [1,1,0,0,0,0|2,0,0]=4 739 B8R1.5 C1=CC(=C(N=C1)Cl)F PI-16375 [1,1,0,0,0,0|2,0,0]=4 740 B8R1.5 C1=CC(=C(N=C1)Cl)I PI-11389 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [1,1,0,0,0,0|1,0,0]=3 742 B8R1.5 C1=CC(=C(N=C1)F)I PI-16040 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [1,1,0,0,0,0|1,0,0]=3 745 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [1,1,0,0,0,0|2,0,0]=4 746 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [1,1,0,0,0,0|1,0,0]=3 747 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [1,1,0,0,0,0|1,0,0]=3 748 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [1,1,0,0,0,0|1,0,0]=3 749 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [1,1,0,0,0,0|1,0,0]=3 750 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [1,1,0,0,0,0|1,0,0]=3 751 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [1,1,0,0,0,0|1,0,0]=3 752 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [1,1,0,0,0,0|0,1,0]=3 753 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [1,1,0,0,0,0|1,0,0]=3 754 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [1,1,0,0,0,0|1,0,0]=3 755 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [1,1,0,0,0,0|0,0,0]=2 756 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-10991 [1,1,0,0,0,0|1,0,1]=4 757 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-31783 [1,1,0,0,0,0|1,0,1]=4 758 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-11832 [1,1,0,0,0,0|1,0,1]=4 759 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-42568 [1,1,0,0,0,0|1,0,1]=4 760 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [1,1,0,0,0,0|2,0,0]=4 761 B8R1.5 C1=CN=CC(=C1Cl)Br PI-28453 [1,1,0,0,0,0|2,0,0]=4 762 B8R1.5 C1=CN=CC(=C1Cl)Cl PI-28640 [1,1,0,0,0,0|2,0,0]=4 763 B8R1.5 C1=CN=CC(=C1Cl)F PI-10413 [1,1,0,0,0,0|2,0,0]=4 764 B8R1.5 C1=CN=CC(=C1Cl)N PI-28262 [1,1,0,0,0,0|2,0,0]=4 765 B8R1.5 C1=CN=CC(=C1I)F PI-34425 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [1,1,0,0,0,0|1,0,1]=4 767 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [1,1,0,0,0,0|1,0,1]=4 768 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [1,1,0,0,0,0|1,0,1]=4 769 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [1,1,0,0,0,0|1,1,0]=4 770 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [1,1,0,0,0,0|1,0,1]=4 771 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [1,1,0,0,0,0|1,0,0]=3 772 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [1,1,0,0,0,0|1,0,0]=3 773 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [1,1,0,0,0,0|1,0,0]=3 775 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [1,1,0,0,0,0|1,0,0]=3 776 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [1,1,0,0,0,0|1,0,0]=3 777 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [1,1,0,0,0,0|1,0,0]=3 778 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [1,1,0,0,0,0|1,0,0]=3 779 B8R1.5 CC1=CC=CC=C1I PI-10980 [1,1,0,0,0,0|0,0,0]=2 780 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [1,1,0,0,0,0|1,0,0]=3 781 B8R1.5 CC1=NC=CN=C1C PI-11734 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.5 CC1=NC=CN=C1Cl PI-11816 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.5 CC1=NC=CNC1=O PI-40998 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.5 Cc1ccccc1F PI-34118 [1,1,0,0,0,0|0,0,0]=2 785 B8R1.5 Cc1cccnc1Br PI-28405 [1,1,0,0,0,0|1,0,0]=3 786 B8R1.5 Cc1cccnc1Cl PI-33878 [1,1,0,0,0,0|1,0,0]=3 787 B8R1.5 Cc1ccncc1Br PI-23509 [1,1,0,0,0,0|1,0,0]=3 788 B8R1.5 Cc1ccncc1N PI-24336 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.5 Cc1ccnnc1Cl PI-34083 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.5 Cc1cnccc1Br PI-33360 [1,1,0,0,0,0|1,0,0]=3 791 B8R1.5 Cc1cnccc1O PI-38275 [1,1,0,0,0,0|1,0,0]=3 792 B8R1.5 Clc1cccc[n+]1C PI-17309 [1,1,0,0,0,0|1,0,0]=3 793 B8R1.5 FC1=NC=CC=C1Br PI-34449 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.5 Fc1ccccc1Br PI-33063 [1,1,0,0,0,0|1,0,0]=3 795 B8R1.5 Fc1ccccc1F PI-11671 [1,1,0,0,0,0|1,0,0]=3 796 B8R1.5 Fc1cnccc1Br PI-10110 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.5 Fc1ncccc1F PI-16764 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.5 IC1=CC=CC=C1Br PI-21523 [1,1,0,0,0,0|1,0,0]=3 799 B8R1.5 IC1=CC=CC=C1I PI-21274 [1,1,0,0,0,0|1,0,0]=3 800 B8R1.5 Ic1cccnc1N PI-36512 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.5 NC1=C(C=NC=C1)F PI-40470 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.5 Nc1cccnc1C PI-13066 [1,1,0,0,0,0|1,0,0]=3 803 B8R1.5 Nc1cccnc1Cl PI-24529 [1,1,0,0,0,0|2,0,0]=4 804 B8R1.5 Nc1cccnc1N PI-10159 [1,1,0,0,0,0|2,0,0]=4 805 B8R1.5 Nc1ccncc1Br PI-16045 [1,1,0,0,0,0|2,0,0]=4 806 B8R1.5 Nc1cnccc1I PI-36511 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.5 Nc1cnccc1N PI-16569 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.5 O=c1[nH]cccc1C PI-16687 [1,1,0,0,0,0|1,0,0]=3 809 B8R1.5 O=c1ccccn1C PI-10985 [1,1,0,0,0,0|1,0,0]=3 810 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [1,1,0,0,0,0|0,0,0]=2 811 B8R1.5 OC1=NC=CC=C1Br PI-37057 [1,1,0,0,0,0|1,0,0]=3 812 B8R1.5 Oc1ccccc1Br PI-10952 [1,1,0,0,0,0|0,0,0]=2 813 B8R1.5 Oc1ccccc1O PI-31351 [1,1,0,0,0,0|0,0,0]=2 814 B8R1.5 Oc1ccccc1S PI-20878 [1,1,0,0,0,0|0,0,0]=2 815 B8R1.5 Oc1cccnc1Br PI-16727 [1,1,0,0,0,0|1,0,0]=3 816 B8R1.5 Oc1cccnc1C PI-13315 [1,1,0,0,0,0|1,0,0]=3 817 B8R1.5 Oc1cccnc1N PI-16260 [1,1,0,0,0,0|1,0,0]=3 818 B8R1.5 Oc1ccncc1Br PI-38971 [1,1,0,0,0,0|1,0,0]=3 819 B8R1.5 Oc1ncccc1O PI-11386 [1,1,0,0,0,0|1,0,0]=3 820 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15322 [1,1,0,0,0,0|1,0,1]=4 821 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15323 [1,1,0,0,0,0|1,0,1]=4 822 B8R1.1 C1=C(N=C(S1)Br)CO PI-25632 [0,1,0,0,1,0|2,0,0]=4 823 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [0,1,0,0,1,0|1,0,0]=3 824 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [0,1,0,0,1,0|2,0,0]=4 825 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [0,1,0,0,1,0|1,0,0]=3 826 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,1,0,0,1,0|1,0,1]=4 827 B8R1.1 CC1=CC=C(O1)CN PI-43985 [0,1,0,0,1,0|2,0,0]=4 828 B8R1.1 Cc1cc(no1)CO PI-20812 [0,1,0,0,1,0|2,0,0]=4 829 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [0,1,0,0,1,0|2,0,0]=4 830 B8R1.7 B(C1=CNC=C1)(O)O PI-33181 [0,1,0,0,1,0|2,0,0]=4 831 B8R1.7 B(C1=CSC=C1)(O)O PI-28689 [0,1,0,0,1,0|2,0,0]=4 832 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,1,0,0,1,0|1,0,1]=4 833 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,1,0,0,1,0|1,0,1]=4 834 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,1,0,0,1,0|1,0,1]=4 835 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,1,0,0,1,0|1,0,0]=3 836 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,1,0,0,1,0|0,0,1]=3 837 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,1,0,0,1,0|2,0,0]=4 838 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,1,0,0,1,0|1,0,0]=3 839 B8R1.7 OB(c1ccco1)O PI-33002 [0,1,0,0,1,0|2,0,0]=4 840 B8R1.7 OB(c1cccs1)O PI-16529 [0,1,0,0,1,0|2,0,0]=4 841 B8R1.7 OB(c1cocc1)O PI-18685 [0,1,0,0,1,0|2,0,0]=4 842 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,1,0,0,1,0|1,0,1]=4 843 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,1,0,0,1,0|1,0,1]=4 844 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,1,0,0,1,0|1,0,1]=4 845 B8R1.8 C1=C(NC=N1)CCO PI-31941 [0,1,0,0,1,0|2,0,0]=4 846 B8R1.8 CSCC1=CC=CO1 PI-48491 [0,1,0,0,1,0|1,1,0]=4 847 B8R1.8 N#CCc1cccs1 PI-10786 [0,1,0,0,1,0|2,0,0]=4 848 B8R1.8 N#CCc1cscc1 PI-35071 [0,1,0,0,1,0|2,0,0]=4 849 B8R1.8 NCCc1cccs1 PI-11168 [0,1,0,0,1,0|2,0,0]=4 850 B8R1.8 OCCC1=CSC=C1 PI-42380 [0,1,0,0,1,0|1,0,0]=3 851 B8R1.8 OCCc1cccs1 PI-11150 [0,1,0,0,1,0|1,0,0]=3 852 B8R1.8 OCCn1cncc1 PI-20761 [0,1,0,0,1,0|2,0,0]=4 853 B8R1.11 C1=CSC(=C1CCl)Cl PI-35066 [0,1,0,0,1,0|2,0,0]=4 854 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [0,1,0,0,1,0|2,0,0]=4 855 B8R1.11 C1=NC(=C(S1)CO)Br PI-50058 [0,1,0,0,1,0|2,0,0]=4 856 B8R1.11 CC1=C(CO)NC=N1 PI-11991 [0,1,0,0,1,0|2,0,0]=4 857 B8R1.11 CC1=C(N=CN1)CO PI-32341 [0,1,0,0,1,0|2,0,0]=4 858 B8R1.11 CCC1=CC=CN1N PI-40301 [0,1,0,0,1,0|2,0,0]=4 859 B8R1.11 CN1C=CN=C1CO PI-33166 [0,1,0,0,1,0|2,0,0]=4 860 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [0,2,0,0,0,0|1,0,0]=3 862 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [0,2,0,0,0,0|1,0,0]=3 863 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [0,2,0,0,0,0|1,0,0]=3 865 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [0,2,0,0,0,0|0,0,1]=3 866 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [0,2,0,0,0,0|0,0,1]=3 867 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [0,2,0,0,0,0|1,0,0]=3 868 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [0,2,0,0,0,0|1,0,0]=3 869 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [0,2,0,0,0,0|1,0,0]=3 870 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [0,2,0,0,0,0|1,0,0]=3 871 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [0,2,0,0,0,0|1,0,0]=3 872 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [0,2,0,0,0,0|0,0,0]=2 873 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [0,2,0,0,0,0|0,0,0]=2 874 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [0,2,0,0,0,0|0,0,0]=2 875 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [0,2,0,0,0,0|0,0,0]=2 876 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [0,2,0,0,0,0|0,0,2]=4 877 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [0,2,0,0,0,0|0,1,1]=4 878 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [0,2,0,0,0,0|1,0,0]=3 879 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [0,2,0,0,0,0|1,0,0]=3 880 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [0,2,0,0,0,0|1,0,0]=3 881 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [0,2,0,0,0,0|1,0,0]=3 882 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [0,2,0,0,0,0|1,0,0]=3 883 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [0,2,0,0,0,0|1,0,0]=3 884 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.1 CCOc1ccc(cc1)O PI-27806 [0,2,0,0,0,0|1,0,0]=3 886 B10R1.1 CCOc1ccc(cn1)N PI-33888 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [0,2,0,0,0,0|1,0,0]=3 889 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [0,2,0,0,0,0|1,0,0]=3 890 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [0,2,0,0,0,0|1,0,0]=3 891 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [0,2,0,0,0,0|1,0,0]=3 892 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [0,2,0,0,0,0|1,0,0]=3 893 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [0,2,0,0,0,0|1,0,0]=3 894 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.1 NCCc1ccc(cc1)N PI-10153 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [0,2,0,0,0,0|0,0,2]=4 897 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [0,2,0,0,0,0|0,0,2]=4 898 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [0,2,0,0,0,0|0,0,0]=2 899 B10R1.1 S=C=Nc1ccc(F)cc1 PI-19162 [0,2,0,0,0,0|0,1,1]=4 900 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [0,2,0,0,0,0|1,0,0]=3 901 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [0,2,0,0,0,0|1,0,0]=3 902 B10R1.3 C1=CC(=CC=C1C#N)NN PI-29432 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [0,2,0,0,0,0|0,0,2]=4 904 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [0,2,0,0,0,0|1,0,0]=3 905 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [0,2,0,0,0,0|1,0,0]=3 906 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [0,2,0,0,0,0|1,0,0]=3 907 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [0,2,0,0,0,0|1,0,0]=3 909 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [0,2,0,0,0,0|0,0,0]=2 910 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [0,2,0,0,0,0|0,1,0]=3 911 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [0,2,0,0,0,0|1,0,0]=3 912 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [0,2,0,0,0,0|1,0,0]=3 913 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [0,2,0,0,0,0|1,0,0]=3 914 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [0,2,0,0,0,0|1,0,1]=4 915 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [0,2,0,0,0,0|1,0,1]=4 916 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [0,2,0,0,0,0|0,1,0]=3 917 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [0,2,0,0,0,0|1,0,0]=3 918 B10R1.3 COc1ccc(cc1)C#C PI-30919 [0,2,0,0,0,0|1,0,1]=4 919 B10R1.3 COc1ccc(cc1)C=C PI-34180 [0,2,0,0,0,0|1,0,1]=4 920 B10R1.3 COc1ccc(cc1)SC PI-12000 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [0,2,0,0,0,0|0,0,0]=2 922 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [0,2,0,0,0,0|0,0,2]=4 924 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [0,2,0,0,0,0|1,0,0]=3 925 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [0,2,0,0,0,0|1,0,0]=3 926 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [0,2,0,0,0,0|1,0,0]=3 927 B10R1.3 NNc1ccc(cc1)OC PI-25299 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [0,2,0,0,0,0|0,0,2]=4 929 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [0,2,0,0,0,0|0,0,2]=4 930 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [0,2,0,0,0,0|0,0,0]=2 931 B10R1.3 OCc1ccc(cc1)CO PI-30750 [0,2,0,0,0,0|0,0,0]=2 932 B10R1.3 ON=C1C=CC(=NO)C=C1 PI-16493 [0,2,0,0,0,0|1,0,0]=3 933 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [0,2,0,0,0,0|1,0,0]=3 934 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [0,2,0,0,0,0|1,0,0]=3 935 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [0,2,0,0,0,0|1,0,0]=3 936 B10R1.13 B(C1=CN=C(C=C1)Br)(O)O PI-25364 [0,2,0,0,0,0|2,0,0]=4 937 B10R1.13 B(C1=CN=C(C=C1)C)(O)O PI-44977 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.13 B(C1=CN=C(C=C1)F)(O)O PI-25465 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,2,0,0,0,0|2,0,0]=4 940 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [0,2,0,0,0,0|1,0,0]=3 941 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,2,0,0,0,0|0,0,1]=3 942 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,2,0,0,0,0|1,0,1]=4 943 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,2,0,0,0,0|1,0,1]=4 945 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,2,0,0,0,0|1,0,1]=4 946 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,2,0,0,0,0|1,0,1]=4 947 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,2,0,0,0,0|1,0,1]=4 948 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,2,0,0,0,0|1,0,1]=4 949 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,2,0,0,0,0|1,0,1]=4 950 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,2,0,0,0,0|1,0,1]=4 951 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,2,0,0,0,0|0,0,2]=4 952 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,2,0,0,0,0|0,0,2]=4 953 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,2,0,0,0,0|0,0,2]=4 954 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,2,0,0,0,0|0,0,1]=3 955 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,2,0,0,0,0|0,0,1]=3 956 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,2,0,0,0,0|0,0,2]=4 957 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,2,0,0,0,0|0,1,1]=4 958 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [0,2,0,0,0,0|1,0,0]=3 959 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [0,2,0,0,0,0|1,0,0]=3 960 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,2,0,0,0,0|0,0,2]=4 961 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,2,0,0,0,0|1,0,1]=4 962 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,2,0,0,0,0|1,0,1]=4 963 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,2,0,0,0,0|1,0,1]=4 964 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,2,0,0,0,0|1,0,1]=4 967 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,2,0,0,0,0|1,0,1]=4 968 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,2,0,0,0,0|1,0,1]=4 969 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,2,0,0,0,0|1,0,1]=4 970 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,2,0,0,0,0|0,0,2]=4 971 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,2,0,0,0,0|0,0,2]=4 972 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,2,0,0,0,0|0,0,2]=4 973 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,2,0,0,0,0|1,0,0]=3 975 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,2,0,0,0,0|1,0,0]=3 976 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,2,0,0,0,0|1,0,0]=3 977 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,2,0,0,0,0|0,0,0]=2 978 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,2,0,0,0,0|1,0,0]=3 979 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,2,0,0,0,0|0,0,0]=2 980 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,2,0,0,0,0|0,0,2]=4 981 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,2,0,0,0,0|0,0,0]=2 983 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,2,0,0,0,0|1,0,1]=4 984 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,2,0,0,0,0|0,0,2]=4 985 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,2,0,0,0,0|0,0,2]=4 986 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,2,0,0,0,0|0,1,1]=4 987 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,2,0,0,0,0|0,0,0]=2 988 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,2,0,0,0,0|0,0,0]=2 989 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,2,0,0,0,0|0,0,0]=2 990 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,2,0,0,0,0|0,0,0]=2 994 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,2,0,0,0,0|1,0,0]=3 995 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,2,0,0,0,0|0,0,0]=2 996 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,2,0,0,0,0|1,0,0]=3 997 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,2,0,0,0,0|0,0,0]=2 998 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,2,0,0,0,0|0,0,0]=2 1000 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,2,0,0,0,0|1,0,0]=3 1001 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,2,0,0,0,0|1,0,0]=3 1002 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,2,0,0,0,0|1,0,1]=4 1003 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,2,0,0,0,0|0,0,2]=4 1004 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,2,0,0,0,0|0,0,2]=4 1005 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,2,0,0,0,0|0,0,2]=4 1006 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,2,0,0,0,0|1,0,0]=3 1007 B10R1.13 Clc1ccc(cn1)B(O)O PI-25579 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [0,2,0,0,0,0|1,0,0]=3 1009 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,2,0,0,0,0|0,0,1]=3 1010 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,2,0,0,0,0|0,0,0]=2 1011 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,2,0,0,0,0|1,0,1]=4 1012 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [0,2,0,0,0,0|1,0,0]=3 1013 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,2,0,0,0,0|1,0,1]=4 1014 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,2,0,0,0,0|0,0,2]=4 1015 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,2,0,0,0,0|0,1,1]=4 1016 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,2,0,0,0,0|0,1,1]=4 1017 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [0,2,0,0,0,0|1,0,0]=3 1018 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,2,0,0,0,0|0,0,2]=4 1019 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,2,0,0,0,0|2,0,0]=4 1021 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,2,0,0,0,0|1,0,1]=4 1022 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,2,0,0,0,0|0,0,2]=4 1024 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,2,0,0,0,0|1,0,1]=4 1025 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,2,0,0,0,0|1,0,1]=4 1026 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,2,0,0,0,0|1,0,0]=3 1027 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,2,0,0,0,0|1,0,1]=4 1028 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,2,0,0,0,0|1,0,1]=4 1029 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,2,0,0,0,0|1,0,1]=4 1030 B10R1.25 BrCc1ccc(cc1F)F PI-28304 [0,2,0,0,0,0|1,0,0]=3 1031 B10R1.25 C(#N)C1=C(C=C(N)C=C1)F PI-38529 [0,2,0,0,0,0|1,0,1]=4 1032 B10R1.25 C1=C(C(=O)NC(=O)N1)CO PI-31382 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N PI-41206 [0,2,0,0,0,0|1,0,1]=4 1034 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [0,2,0,0,0,0|0,0,2]=4 1035 B10R1.25 C1=CC(=C(C=C1Br)F)CBr PI-11844 [0,2,0,0,0,0|1,0,0]=3 1036 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [0,2,0,0,0,0|1,0,0]=3 1037 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [0,2,0,0,0,0|1,0,0]=3 1038 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [0,2,0,0,0,0|0,0,0]=2 1039 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [0,2,0,0,0,0|1,0,1]=4 1040 B10R1.25 C1=CC(=C(C=C1Cl)Cl)C#N PI-16132 [0,2,0,0,0,0|1,0,1]=4 1041 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl PI-33404 [0,2,0,0,0,0|1,0,0]=3 1042 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-11745 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-34158 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.25 C1=CC(=C(C=C1Cl)F)C#N PI-10694 [0,2,0,0,0,0|1,0,1]=4 1045 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [0,2,0,0,0,0|0,0,2]=4 1046 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [0,2,0,0,0,0|0,0,0]=2 1047 B10R1.25 C1=CC(=C(C=C1Cl)F)NN PI-50547 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.25 C1=CC(=C(C=C1F)Br)C#N PI-16379 [0,2,0,0,0,0|1,0,1]=4 1049 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [0,2,0,0,0,0|0,0,2]=4 1050 B10R1.25 C1=CC(=C(C=C1F)Br)CBr PI-28684 [0,2,0,0,0,0|1,0,0]=3 1051 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N PI-28676 [0,2,0,0,0,0|1,0,1]=4 1052 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [0,2,0,0,0,0|0,0,2]=4 1053 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr PI-20076 [0,2,0,0,0,0|1,0,0]=3 1054 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [0,2,0,0,0,0|1,0,0]=3 1055 B10R1.25 C1=CC(=C(C=C1F)Cl)NN PI-50545 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.25 C1=CC(=C(C=C1F)F)NN PI-31217 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.25 C1=CC(=C(C=C1F)I)CBr PI-33648 [0,2,0,0,0,0|1,0,0]=3 1058 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [0,2,0,0,0,0|0,0,2]=4 1059 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [0,2,0,0,0,0|0,0,2]=4 1060 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [0,2,0,0,0,0|0,0,2]=4 1061 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [0,2,0,0,0,0|0,0,2]=4 1062 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [0,2,0,0,0,0|0,0,2]=4 1063 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [0,2,0,0,0,0|0,0,0]=2 1064 B10R1.25 CC1=C(C=CC(=C1)Br)C#N PI-22131 [0,2,0,0,0,0|1,0,1]=4 1065 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [0,2,0,0,0,0|1,0,1]=4 1069 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [0,2,0,0,0,0|0,0,2]=4 1070 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [0,2,0,0,0,0|1,0,1]=4 1071 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [0,2,0,0,0,0|1,0,1]=4 1072 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [0,2,0,0,0,0|0,0,2]=4 1073 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [0,2,0,0,0,0|0,0,2]=4 1074 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [0,2,0,0,0,0|1,0,0]=3 1075 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [0,2,0,0,0,0|0,0,0]=2 1076 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [0,2,0,0,0,0|1,0,0]=3 1085 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.25 COc1ccc(F)cc1S PI-23728 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.25 COc1ccc(S)cc1F PI-23727 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.25 COc1ccc(cc1Br)F PI-28540 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.25 COc1ccc(cc1F)Br PI-16907 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.25 COc1ccc(cc1F)N PI-28446 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.25 COc1ccc(cc1F)O PI-34292 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.25 CSc1ccc(cc1C)O PI-18452 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.25 Cc1ccc(c(n1)Cl)CO PI-36936 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [0,2,0,0,0,0|0,0,2]=4 1106 B10R1.25 ClCc1ccc(cc1Cl)F PI-20080 [0,2,0,0,0,0|1,0,0]=3 1107 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [0,2,0,0,0,0|0,0,2]=4 1108 B10R1.25 N#CC1=CC=C(O)C=C1F PI-16085 [0,2,0,0,0,0|1,0,1]=4 1109 B10R1.25 N#Cc1ccc(Cl)cc1N PI-11782 [0,2,0,0,0,0|1,0,1]=4 1110 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [0,2,0,0,0,0|1,0,1]=4 1111 B10R1.25 N#Cc1ccc(cc1Cl)N PI-30296 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.25 N#Cc1ccc(cc1F)Br PI-16087 [0,2,0,0,0,0|1,0,1]=4 1113 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [0,2,0,0,0,0|1,0,1]=4 1114 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [0,2,0,0,0,0|0,0,2]=4 1115 B10R1.25 NCc1ccc(cc1C)C PI-27988 [0,2,0,0,0,0|1,0,0]=3 1116 B10R1.25 NCc1ccc(cc1F)F PI-28783 [0,2,0,0,0,0|1,0,0]=3 1117 B10R1.25 NNc1ccc(cc1F)F PI-31187 [0,2,0,0,0,0|2,0,0]=4 1118 B10R1.25 Nc1nc(=O)[nH]cc1CO PI-30068 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [0,2,0,0,0,0|0,0,2]=4 1120 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [0,2,0,0,0,0|0,0,2]=4 1121 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [0,2,0,0,0,0|0,0,2]=4 1122 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [0,2,0,0,0,0|0,0,2]=4 1123 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [0,2,0,0,0,0|0,0,2]=4 1124 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [0,2,0,0,0,0|0,0,2]=4 1125 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [0,2,0,0,0,0|0,0,2]=4 1126 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [0,2,0,0,0,0|0,0,2]=4 1127 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [0,2,0,0,0,0|0,0,2]=4 1128 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [0,2,0,0,0,0|0,0,2]=4 1129 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [0,2,0,0,0,0|0,0,0]=2 1130 B10R1.25 OCc1ccc(F)cc1F PI-28645 [0,2,0,0,0,0|0,0,0]=2 1131 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [0,2,0,0,0,0|0,0,0]=2 1132 B10R1.25 OCc1ccc(cc1C)C PI-38556 [0,2,0,0,0,0|0,0,0]=2 1133 B10R1.25 SCc1ccc(Br)cc1F PI-21443 [0,2,0,0,0,0|0,1,0]=3 1134 B10R1.25 [C-]#[N+]c1ccc(Br)cc1F PI-21480 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.176 BrC1=C(C=C(C#N)C=C1)F PI-10688 [0,2,0,0,0,0|1,0,1]=4 1137 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [0,2,0,0,0,0|1,0,0]=3 1138 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [0,2,0,0,0,0|1,0,0]=3 1139 B10R1.176 C1=C(C=CC(=C1F)Cl)C#N PI-28050 [0,2,0,0,0,0|1,0,1]=4 1140 B10R1.176 C1=C(C=CC(=C1F)F)C#N PI-16869 [0,2,0,0,0,0|1,0,1]=4 1141 B10R1.176 C1=CC(=C(C=C1C#N)Br)O PI-16222 [0,2,0,0,0,0|1,0,1]=4 1142 B10R1.176 C1=CC(=C(C=C1C#N)F)I PI-10700 [0,2,0,0,0,0|1,0,1]=4 1143 B10R1.176 C1=CC(=C(C=C1C#N)F)N PI-10683 [0,2,0,0,0,0|1,0,1]=4 1144 B10R1.176 C1=CC(=C(C=C1C#N)F)O PI-34365 [0,2,0,0,0,0|1,0,1]=4 1145 B10R1.176 C1=CC(=C(C=C1C#N)N)F PI-34256 [0,2,0,0,0,0|1,0,1]=4 1146 B10R1.176 C1=CC(=C(C=C1C#N)O)F PI-35270 [0,2,0,0,0,0|1,0,1]=4 1147 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [0,2,0,0,0,0|0,0,2]=4 1148 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [0,2,0,0,0,0|0,0,2]=4 1149 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [0,2,0,0,0,0|0,0,2]=4 1150 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [0,2,0,0,0,0|0,0,2]=4 1151 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [0,2,0,0,0,0|0,0,2]=4 1152 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [0,2,0,0,0,0|0,0,2]=4 1153 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [0,2,0,0,0,0|0,0,2]=4 1154 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [0,2,0,0,0,0|0,0,2]=4 1155 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl PI-35255 [0,2,0,0,0,0|1,0,0]=3 1156 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F PI-20078 [0,2,0,0,0,0|1,0,0]=3 1157 B10R1.176 C1=CC(=C(C=C1CBr)F)Br PI-35170 [0,2,0,0,0,0|1,0,0]=3 1158 B10R1.176 C1=CC(=C(C=C1CBr)F)F PI-13391 [0,2,0,0,0,0|1,0,0]=3 1159 B10R1.176 C1=CC(=C(C=C1CCl)F)F PI-21150 [0,2,0,0,0,0|1,0,0]=3 1160 B10R1.176 C1=CC(=C(C=C1CN)Br)F PI-43947 [0,2,0,0,0,0|1,0,0]=3 1161 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl PI-11886 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.176 C1=CC(=C(C=C1CN)Cl)F PI-20074 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.176 C1=CC(=C(C=C1CN)F)F PI-33741 [0,2,0,0,0,0|1,0,0]=3 1164 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [0,2,0,0,0,0|0,0,0]=2 1165 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [0,2,0,0,0,0|0,0,0]=2 1166 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [0,2,0,0,0,0|0,0,0]=2 1167 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [0,2,0,0,0,0|0,0,0]=2 1168 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20108 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20109 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.176 C1=CC(=C(C=C1NN)F)F PI-31188 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.176 CC1=C(C=C(C=C1)C#N)Cl PI-20153 [0,2,0,0,0,0|1,0,1]=4 1172 B10R1.176 CC1=C(C=C(C=C1)C#N)F PI-31087 [0,2,0,0,0,0|1,0,1]=4 1173 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [0,2,0,0,0,0|0,0,2]=4 1174 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [0,2,0,0,0,0|0,0,2]=4 1175 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.176 CC1=C(C=C(C=C1)NN)Cl PI-20172 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.176 CC1=C(C=CC(=C1)C#N)Br PI-14470 [0,2,0,0,0,0|1,0,1]=4 1183 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [0,2,0,0,0,0|1,0,1]=4 1184 B10R1.176 CC1=C(C=CC(=C1)C#N)N PI-30932 [0,2,0,0,0,0|1,0,1]=4 1185 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [0,2,0,0,0,0|0,0,2]=4 1186 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [0,2,0,0,0,0|0,0,2]=4 1187 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [0,2,0,0,0,0|0,0,2]=4 1208 B10R1.176 N#Cc1ccc(Cl)c(Cl)c1 PI-16133 [0,2,0,0,0,0|1,0,1]=4 1209 B10R1.176 N#Cc1ccc(F)c(Cl)c1 PI-16135 [0,2,0,0,0,0|1,0,1]=4 1210 B10R1.176 N#Cc1ccc(N)c(Br)c1 PI-30657 [0,2,0,0,0,0|1,0,1]=4 1211 B10R1.176 N#Cc1ccc(c(c1)Br)C PI-34358 [0,2,0,0,0,0|1,0,1]=4 1212 B10R1.176 N#Cc1ccc(c(c1)Br)Cl PI-38899 [0,2,0,0,0,0|1,0,1]=4 1213 B10R1.176 N#Cc1ccc(c(c1)Br)F PI-28834 [0,2,0,0,0,0|1,0,1]=4 1214 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [0,2,0,0,0,0|1,0,1]=4 1215 B10R1.176 N#Cc1ccc(c(c1)Cl)N PI-30322 [0,2,0,0,0,0|1,0,1]=4 1216 B10R1.176 N#Cc1ccc(c(c1)N)Cl PI-35250 [0,2,0,0,0,0|1,0,1]=4 1217 B10R1.176 N#Cc1ccc(c(c1)N)N PI-20945 [0,2,0,0,0,0|1,0,1]=4 1218 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [0,2,0,0,0,0|1,0,0]=3 1219 B10R1.176 NNc1ccc(Cl)c(Cl)c1 PI-29297 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.176 NNc1ccc(F)c(F)c1 PI-31079 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [0,2,0,0,0,0|0,0,2]=4 1223 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [0,2,0,0,0,0|0,0,2]=4 1224 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [0,2,0,0,0,0|0,0,2]=4 1225 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [0,2,0,0,0,0|0,0,2]=4 1226 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [0,2,0,0,0,0|0,0,2]=4 1227 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [0,2,0,0,0,0|0,0,2]=4 1228 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [0,2,0,0,0,0|0,0,2]=4 1229 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [0,2,0,0,0,0|0,0,2]=4 1230 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [0,2,0,0,0,0|0,0,2]=4 1231 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [0,2,0,0,0,0|0,0,0]=2 1232 B10R1.176 OCc1occ(c(=O)c1)O PI-37271 [0,2,0,0,0,0|1,0,0]=3 1233 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O PI-27283 [0,2,0,0,0,0|0,0,2]=4 1234 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)C#N PI-13129 [0,2,0,0,0,0|1,0,1]=4 1235 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C#N PI-10522 [0,2,0,0,0,0|1,0,1]=4 1236 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CBr PI-28865 [0,2,0,0,0,0|1,0,0]=3 1237 B10R1.2 C1=CC(=C(C(=C1)Cl)F)NN PI-10632 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.2 C1=CC(=C(C(=C1)Cl)N)C#N PI-11515 [0,2,0,0,0,0|1,0,1]=4 1239 B10R1.2 C1=CC(=C(C(=C1)F)Br)C#N PI-10685 [0,2,0,0,0,0|1,0,1]=4 1240 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C#N PI-10693 [0,2,0,0,0,0|1,0,1]=4 1241 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O PI-28939 [0,2,0,0,0,0|0,0,2]=4 1242 B10R1.2 C1=CC(=C(C(=C1)F)F)C#N PI-28273 [0,2,0,0,0,0|1,0,1]=4 1243 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O PI-28322 [0,2,0,0,0,0|0,0,2]=4 1244 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr PI-28061 [0,2,0,0,0,0|1,0,0]=3 1245 B10R1.2 C1=CC(=C(C(=C1)F)F)CN PI-21148 [0,2,0,0,0,0|1,0,0]=3 1246 B10R1.2 C1=CC(=C(C(=C1)F)F)CO PI-21147 [0,2,0,0,0,0|0,0,0]=2 1247 B10R1.2 C1=CC(=C(C(=C1)F)N)C#N PI-10681 [0,2,0,0,0,0|1,0,1]=4 1248 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [0,2,0,0,0,0|0,0,2]=4 1249 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [0,2,0,0,0,0|1,0,1]=4 1250 B10R1.2 CC1=C(C(=CC=C1)C#N)F PI-10707 [0,2,0,0,0,0|1,0,1]=4 1251 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [0,2,0,0,0,0|0,0,2]=4 1252 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [0,2,0,0,0,0|1,0,0]=3 1253 B10R1.2 CC1=C(C(=CC=C1)CBr)F PI-23752 [0,2,0,0,0,0|1,0,0]=3 1254 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [0,2,0,0,0,0|0,0,2]=4 1258 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [0,2,0,0,0,0|0,0,0]=2 1259 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [0,2,0,0,0,0|0,0,0]=2 1260 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [0,2,0,0,0,0|1,0,0]=3 1262 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.2 COc1cccc(O)c1Br PI-34766 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.2 COc1cccc(c1N)O PI-38206 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.2 COc1cccc(c1O)O PI-19986 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.2 FC1=C(Cl)C(CBr)=CC=C1 PI-39696 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.2 N#Cc1cccc(Br)c1F PI-21438 [0,2,0,0,0,0|1,0,1]=4 1271 B10R1.2 N#Cc1cccc(c1C)F PI-28230 [0,2,0,0,0,0|1,0,1]=4 1272 B10R1.2 N#Cc1cccc(c1I)F PI-10699 [0,2,0,0,0,0|1,0,1]=4 1273 B10R1.2 N#Cc1cccc(c1N)Br PI-38203 [0,2,0,0,0,0|1,0,1]=4 1274 B10R1.2 N#Cc1cccc(c1O)O PI-31955 [0,2,0,0,0,0|1,0,1]=4 1275 B10R1.2 NCC1=CC=CC(F)=C1Br PI-46659 [0,2,0,0,0,0|1,0,0]=3 1276 B10R1.2 NCc1cccc(Cl)c1F PI-20073 [0,2,0,0,0,0|1,0,0]=3 1277 B10R1.2 NNC1=CC=CC(Cl)=C1Cl PI-21067 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.2 O=CC1=CC=CC(F)=C1Br PI-28928 [0,2,0,0,0,0|0,0,2]=4 1279 B10R1.2 O=CC1=CC=CC(F)=C1I PI-28940 [0,2,0,0,0,0|0,0,2]=4 1280 B10R1.2 O=Cc1cccc(Br)c1F PI-36808 [0,2,0,0,0,0|0,0,2]=4 1281 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [0,2,0,0,0,0|0,0,2]=4 1282 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [0,2,0,0,0,0|0,0,2]=4 1283 B10R1.2 O=Cc1cccc(Cl)c1Cl PI-12552 [0,2,0,0,0,0|0,0,2]=4 1284 B10R1.2 O=Cc1cccc(Cl)c1O PI-26254 [0,2,0,0,0,0|0,0,2]=4 1285 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [0,2,0,0,0,0|0,0,2]=4 1286 B10R1.2 O=Cc1cccc(c1F)Cl PI-28866 [0,2,0,0,0,0|0,0,2]=4 1287 B10R1.8 BrCC1=CC(Br)=CC(Br)=C1 PI-30725 [0,2,0,0,0,0|1,0,0]=3 1288 B10R1.8 C1=C(C=C(C=C1Br)Br)CO PI-30149 [0,2,0,0,0,0|0,0,0]=2 1289 B10R1.8 C1=C(C=C(C=C1Br)I)C=O PI-26241 [0,2,0,0,0,0|0,0,2]=4 1290 B10R1.8 C1=C(C=C(C=C1Cl)Br)C#N PI-35892 [0,2,0,0,0,0|1,0,1]=4 1291 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O PI-11890 [0,2,0,0,0,0|0,0,2]=4 1292 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CN PI-21013 [0,2,0,0,0,0|1,0,0]=3 1293 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO PI-30760 [0,2,0,0,0,0|0,0,0]=2 1294 B10R1.8 C1=C(C=C(C=C1Cl)Cl)NN PI-21068 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.8 C1=C(C=C(C=C1F)Br)C=O PI-28238 [0,2,0,0,0,0|0,0,2]=4 1296 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O PI-27970 [0,2,0,0,0,0|0,0,2]=4 1297 B10R1.8 C1=C(C=C(C=C1F)F)CBr PI-16885 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.8 C1=C(C=C(C=C1F)F)CN PI-33740 [0,2,0,0,0,0|1,0,0]=3 1299 B10R1.8 C1=C(C=C(C=C1F)F)NN PI-10425 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.8 C1=C(C=C(C=C1F)F)NN PI-50548 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.8 CC1=CC(=CC(=C1)Br)OC PI-19403 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.8 CC1=CC(=CC(=C1)C#N)C PI-23424 [0,2,0,0,0,0|1,0,1]=4 1303 B10R1.8 CC1=CC(=CC(=C1)CBr)C PI-24287 [0,2,0,0,0,0|1,0,0]=3 1304 B10R1.8 CC1=CC(=CC(=C1)CN)C PI-21942 [0,2,0,0,0,0|1,0,0]=3 1305 B10R1.8 CC1=CC(=CC(=C1)F)C#N PI-10708 [0,2,0,0,0,0|1,0,1]=4 1306 B10R1.8 CC1=CC(=CC(=C1)NN)C PI-21975 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.8 CC1=CC(CCl)=CC(Cl)=N1 PI-41850 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.8 COC1=CC(=CC(=C1)Br)Br PI-19875 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.8 COC1=CC(=CC(=C1)Cl)F PI-20056 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.8 COC1=CC(Cl)=CC(Br)=C1 PI-41830 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.8 COc1cc(C)cc(c1)C PI-34203 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.8 COc1cc(F)cc(F)c1 PI-31329 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.8 COc1cc(F)cc(c1)Br PI-10475 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.8 COc1cc(O)cc(c1)O PI-17720 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl PI-11896 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.8 ClCc1cc(F)cc(c1)F PI-21151 [0,2,0,0,0,0|1,0,0]=3 1317 B10R1.8 IC1=CC(C=O)=CC(I)=C1 PI-26205 [0,2,0,0,0,0|0,0,2]=4 1318 B10R1.8 N#CC1=CC(Cl)=CC(Cl)=C1 PI-11892 [0,2,0,0,0,0|1,0,1]=4 1319 B10R1.8 N#Cc1cc(Br)cc(c1)Br PI-36979 [0,2,0,0,0,0|1,0,1]=4 1320 B10R1.8 N#Cc1cc(F)cc(c1)Br PI-16500 [0,2,0,0,0,0|1,0,1]=4 1321 B10R1.8 N#Cc1cc(F)cc(c1)F PI-31253 [0,2,0,0,0,0|1,0,1]=4 1322 B10R1.8 N#Cc1cc(N)cc(c1)F PI-15920 [0,2,0,0,0,0|1,0,1]=4 1323 B10R1.8 N#Cc1cc(O)cc(c1)Cl PI-39164 [0,2,0,0,0,0|1,0,1]=4 1324 B10R1.8 NC1=CC(C)=CC(OC)=C1 PI-37340 [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.8 NC1=CC(OC)=CC(Cl)=C1 PI-36641 [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.8 NNc1cc(Cl)cc(c1)Cl PI-29563 [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.8 O=Cc1cc(Br)cc(c1)Br PI-18696 [0,2,0,0,0,0|0,0,2]=4 1328 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [0,2,0,0,0,0|0,0,2]=4 1329 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [0,2,0,0,0,0|0,0,2]=4 1330 B10R1.8 O=Cc1cc(Cl)cc(Br)c1 PI-26240 [0,2,0,0,0,0|0,0,2]=4 1331 B10R1.8 O=Cc1cc(F)cc(c1)F PI-16921 [0,2,0,0,0,0|0,0,2]=4 1332 B10R1.8 O=Cc1cc(O)cc(O)c1 PI-11898 [0,2,0,0,0,0|0,0,2]=4 1333 B10R1.8 OC1=CC(C)=CC(OC)=C1 PI-20801 [0,2,0,0,0,0|2,0,0]=4 1334 B10R1.8 OCc1cc(Cl)cc(c1)Br PI-36975 [0,2,0,0,0,0|0,0,0]=2 1335 B10R1.8 OCc1cc(F)cc(c1)F PI-31311 [0,2,0,0,0,0|0,0,0]=2 1336 B10R1.8 OCc1cc(O)cc(O)c1 PI-31143 [0,2,0,0,0,0|0,0,0]=2 1337 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [0,2,0,0,0,0|1,0,0]=3 1338 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [0,2,0,0,0,0|1,0,0]=3 1339 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [0,2,0,0,0,0|0,0,1]=3 1340 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [0,2,0,0,0,0|1,0,0]=3 1341 B10R1.10 C1=CC(=CC(=C1)Br)N=C=S PI-22498 [0,2,0,0,0,0|0,1,1]=4 1342 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [0,2,0,0,0,0|0,0,1]=3 1343 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [0,2,0,0,0,0|1,0,0]=3 1344 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [0,2,0,0,0,0|0,0,2]=4 1345 B10R1.10 C1=CC(=CC(=C1)F)N=C=S PI-19553 [0,2,0,0,0,0|0,1,1]=4 1346 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [0,2,0,0,0,0|1,0,0]=3 1347 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [0,2,0,0,0,0|0,0,0]=2 1348 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [0,2,0,0,0,0|0,0,2]=4 1349 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [0,2,0,0,0,0|1,0,0]=3 1351 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [0,2,0,0,0,0|1,0,0]=3 1352 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.10 CCOc1cccc(c1)Br PI-38261 [0,2,0,0,0,0|1,0,0]=3 1354 B10R1.10 COCc1ccnc(n1)Cl PI-39178 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [0,2,0,0,0,0|1,0,0]=3 1356 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [0,2,0,0,0,0|1,0,0]=3 1357 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [0,2,0,0,0,0|1,0,0]=3 1358 B10R1.10 NCCc1cccc(c1)F PI-33071 [0,2,0,0,0,0|1,0,0]=3 1359 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [0,2,0,0,0,0|0,0,0]=2 1360 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [0,2,0,0,0,0|1,0,0]=3 1361 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.30 BrCc1cc(Cl)ccc1Cl PI-38192 [0,2,0,0,0,0|1,0,0]=3 1363 B10R1.30 BrCc1cc(Cl)ccc1F PI-20079 [0,2,0,0,0,0|1,0,0]=3 1364 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [0,2,0,0,0,0|0,0,0]=2 1365 B10R1.30 C1=C(C=NC(=C1CO)N)Br PI-34708 [0,2,0,0,0,0|1,0,0]=3 1366 B10R1.30 C1=C(Cl)C=CC(=C1C#N)F PI-28659 [0,2,0,0,0,0|1,0,1]=4 1367 B10R1.30 C1=C(Cl)C=CC(=C1C#N)N PI-11788 [0,2,0,0,0,0|1,0,1]=4 1368 B10R1.30 C1=CC(=C(C=C1Br)C#N)N PI-21368 [0,2,0,0,0,0|1,0,1]=4 1369 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [0,2,0,0,0,0|0,0,2]=4 1370 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [0,2,0,0,0,0|0,0,2]=4 1371 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [0,2,0,0,0,0|0,0,2]=4 1372 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [0,2,0,0,0,0|0,0,2]=4 1373 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [0,2,0,0,0,0|1,0,0]=3 1374 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [0,2,0,0,0,0|0,0,0]=2 1375 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [0,2,0,0,0,0|0,0,0]=2 1376 B10R1.30 C1=CC(=C(C=C1Cl)C#N)Cl PI-11756 [0,2,0,0,0,0|1,0,1]=4 1377 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [0,2,0,0,0,0|1,0,1]=4 1378 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [0,2,0,0,0,0|0,0,2]=4 1379 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [0,2,0,0,0,0|0,0,2]=4 1380 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [0,2,0,0,0,0|0,0,2]=4 1381 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl PI-27419 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [0,2,0,0,0,0|0,0,0]=2 1383 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [0,2,0,0,0,0|0,0,0]=2 1384 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.30 C1=CC(=C(C=C1F)C#N)Cl PI-28660 [0,2,0,0,0,0|1,0,1]=4 1387 B10R1.30 C1=CC(=C(C=C1F)C#N)F PI-28715 [0,2,0,0,0,0|1,0,1]=4 1388 B10R1.30 C1=CC(=C(C=C1F)C#N)N PI-10682 [0,2,0,0,0,0|1,0,1]=4 1389 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [0,2,0,0,0,0|0,0,2]=4 1390 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [0,2,0,0,0,0|0,0,2]=4 1391 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [0,2,0,0,0,0|0,0,2]=4 1392 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [0,2,0,0,0,0|0,0,2]=4 1393 B10R1.30 C1=CC(=C(C=C1F)CBr)Br PI-14438 [0,2,0,0,0,0|1,0,0]=3 1394 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl PI-34130 [0,2,0,0,0,0|1,0,0]=3 1395 B10R1.30 C1=CC(=C(C=C1F)CBr)F PI-13390 [0,2,0,0,0,0|1,0,0]=3 1396 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [0,2,0,0,0,0|1,0,0]=3 1397 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [0,2,0,0,0,0|0,0,0]=2 1398 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [0,2,0,0,0,0|0,0,0]=2 1399 B10R1.30 C1=CC(=C(C=C1F)NN)Cl PI-50546 [0,2,0,0,0,0|2,0,0]=4 1400 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-10633 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-21223 [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.30 C1=CC(=C(C=C1I)C#N)F PI-10697 [0,2,0,0,0,0|1,0,1]=4 1403 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [0,2,0,0,0,0|0,0,2]=4 1404 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [0,2,0,0,0,0|0,0,2]=4 1405 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [0,2,0,0,0,0|0,0,0]=2 1406 B10R1.30 C1=CC(=C(C=C1N)C#N)F PI-28621 [0,2,0,0,0,0|1,0,1]=4 1407 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.30 CC1=C(C=C(C=C1)F)C#N PI-28817 [0,2,0,0,0,0|1,0,1]=4 1409 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [0,2,0,0,0,0|0,0,2]=4 1410 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [0,2,0,0,0,0|1,0,1]=4 1413 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [0,2,0,0,0,0|1,0,1]=4 1414 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [0,2,0,0,0,0|0,0,2]=4 1415 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.30 CC1=CC(=C(C=C1)F)C#N PI-28713 [0,2,0,0,0,0|1,0,1]=4 1417 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [0,2,0,0,0,0|0,0,2]=4 1418 B10R1.30 CC1=CC(=C(C=C1)N)C#N PI-34275 [0,2,0,0,0,0|1,0,1]=4 1419 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [0,2,0,0,0,0|1,0,0]=3 1421 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [0,2,0,0,0,0|1,0,0]=3 1422 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [0,2,0,0,0,0|2,0,0]=4 1424 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.30 COc1cc(Br)ccc1F PI-34341 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.30 N#Cc1cc(Br)ccc1Cl PI-35251 [0,2,0,0,0,0|1,0,1]=4 1436 B10R1.30 N#Cc1cc(Br)ccc1F PI-16380 [0,2,0,0,0,0|1,0,1]=4 1437 B10R1.30 N#Cc1cc(Br)ccc1O PI-21509 [0,2,0,0,0,0|1,0,1]=4 1438 B10R1.30 N#Cc1cc(Cl)ccc1Br PI-38901 [0,2,0,0,0,0|1,0,1]=4 1439 B10R1.30 N#Cc1cc(F)ccc1Br PI-10686 [0,2,0,0,0,0|1,0,1]=4 1440 B10R1.30 N#Cc1cc(N)ccc1N PI-17238 [0,2,0,0,0,0|1,0,1]=4 1441 B10R1.30 N#Cc1cc(O)ccc1F PI-39223 [0,2,0,0,0,0|1,0,1]=4 1442 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [0,2,0,0,0,0|1,0,0]=3 1443 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [0,2,0,0,0,0|0,0,2]=4 1445 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [0,2,0,0,0,0|0,0,2]=4 1446 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [0,2,0,0,0,0|0,0,2]=4 1447 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [0,2,0,0,0,0|0,0,2]=4 1448 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [0,2,0,0,0,0|0,0,2]=4 1449 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [0,2,0,0,0,0|0,0,2]=4 1450 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [0,2,0,0,0,0|0,0,2]=4 1451 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [0,2,0,0,0,0|0,0,2]=4 1452 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [0,2,0,0,0,0|0,0,0]=2 1454 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O PI-25960 [0,2,0,0,0,0|1,0,0]=3 1455 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,2,0,0,0,0|1,0,0]=3 1456 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-25874 [0,2,0,0,0,0|1,0,0]=3 1457 B10R1.113 B(C1=CC(=CC=C1)N)(O)O PI-30837 [0,2,0,0,0,0|1,0,0]=3 1458 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [0,2,0,0,0,0|1,0,0]=3 1459 B10R1.113 B(C1=CC(=CN=C1)Br)(O)O PI-25584 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.113 B(C1=CC(=CN=C1)C)(O)O PI-25250 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O PI-25586 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.113 B(C1=NC(=CC=C1)Br)(O)O PI-33786 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.113 B(C1=NC=CC(=C1)C)(O)O PI-25498 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [0,2,0,0,0,0|1,0,1]=4 1465 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,2,0,0,0,0|0,0,2]=4 1466 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,2,0,0,0,0|0,0,1]=3 1467 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,2,0,0,0,0|1,0,0]=3 1468 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,2,0,0,0,0|1,0,0]=3 1469 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [0,2,0,0,0,0|1,0,1]=4 1470 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,2,0,0,0,0|1,0,1]=4 1471 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,2,0,0,0,0|1,0,1]=4 1472 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,2,0,0,0,0|1,0,1]=4 1473 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,2,0,0,0,0|1,0,1]=4 1474 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,2,0,0,0,0|1,0,1]=4 1475 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,2,0,0,0,0|1,0,1]=4 1476 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [0,2,0,0,0,0|0,1,1]=4 1477 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [0,2,0,0,0,0|1,0,0]=3 1478 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,2,0,0,0,0|0,0,2]=4 1479 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,2,0,0,0,0|0,0,2]=4 1480 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,2,0,0,0,0|0,0,1]=3 1481 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,2,0,0,0,0|0,1,1]=4 1482 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [0,2,0,0,0,0|1,0,0]=3 1483 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,2,0,0,0,0|0,0,2]=4 1484 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,2,0,0,0,0|0,0,1]=3 1485 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,2,0,0,0,0|0,0,2]=4 1486 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [0,2,0,0,0,0|1,0,0]=3 1487 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,2,0,0,0,0|1,0,1]=4 1488 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,2,0,0,0,0|1,0,1]=4 1489 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,2,0,0,0,0|1,0,1]=4 1490 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,2,0,0,0,0|1,0,1]=4 1491 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,2,0,0,0,0|1,0,1]=4 1492 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,2,0,0,0,0|1,0,1]=4 1493 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,2,0,0,0,0|1,0,1]=4 1494 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,2,0,0,0,0|0,0,2]=4 1495 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [0,2,0,0,0,0|2,0,0]=4 1496 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,2,0,0,0,0|0,0,0]=2 1497 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,2,0,0,0,0|0,0,0]=2 1498 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,2,0,0,0,0|1,0,0]=3 1499 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,2,0,0,0,0|1,0,0]=3 1500 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,2,0,0,0,0|0,0,0]=2 1501 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,2,0,0,0,0|1,0,1]=4 1502 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,2,0,0,0,0|0,0,2]=4 1503 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,2,0,0,0,0|2,0,0]=4 1504 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,2,0,0,0,0|0,0,0]=2 1505 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,2,0,0,0,0|1,0,1]=4 1506 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,2,0,0,0,0|1,0,1]=4 1507 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,2,0,0,0,0|0,0,0]=2 1508 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,2,0,0,0,0|0,0,0]=2 1509 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,2,0,0,0,0|1,0,1]=4 1510 B10R1.113 Cc1cccc(n1)B(O)O PI-25500 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [0,2,0,0,0,0|1,0,0]=3 1512 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,2,0,0,0,0|1,0,0]=3 1513 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,2,0,0,0,0|1,0,0]=3 1514 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,2,0,0,0,0|1,0,1]=4 1515 B10R1.113 Clc1cncc(c1)B(O)O PI-25937 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.113 Fc1cccc(c1)B(O)O PI-23443 [0,2,0,0,0,0|1,0,0]=3 1517 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,2,0,0,0,0|0,0,2]=4 1518 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [0,2,0,0,0,0|1,0,1]=4 1519 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,2,0,0,0,0|1,0,1]=4 1520 B10R1.113 Fc1nccc(c1)B(O)O PI-25543 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,2,0,0,0,0|1,0,1]=4 1522 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,2,0,0,0,0|0,0,1]=3 1523 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,2,0,0,0,0|1,0,1]=4 1524 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [0,2,0,0,0,0|0,1,1]=4 1525 B10R1.113 Nc1cccc(c1)B(O)O PI-16837 [0,2,0,0,0,0|1,0,0]=3 1526 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,2,0,0,0,0|0,0,2]=4 1527 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,2,0,0,0,0|0,0,2]=4 1528 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,2,0,0,0,0|1,0,1]=4 1530 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,2,0,0,0,0|1,0,1]=4 1531 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,2,0,0,0,0|1,0,1]=4 1532 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,2,0,0,0,0|0,0,2]=4 1533 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,2,0,0,0,0|0,0,2]=4 1534 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,2,0,0,0,0|0,0,1]=3 1535 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [0,2,0,0,0,0|1,0,1]=4 1536 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,2,0,0,0,0|1,0,1]=4 1537 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,2,0,0,0,0|0,1,1]=4 1538 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.172 BrCC1=CC(CBr)=CC=C1 PI-32198 [0,2,0,0,0,0|1,0,0]=3 1540 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [0,2,0,0,0,0|1,0,0]=3 1541 B10R1.172 C1=CC(=CC(=C1)C#N)C#N PI-48850 [0,2,0,0,0,0|1,0,1]=4 1542 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [0,2,0,0,0,0|0,0,2]=4 1543 B10R1.172 C1=CC(=CC(=C1)C#N)CBr PI-11546 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.172 C1=CC(=CC(=C1)C#N)CO PI-46956 [0,2,0,0,0,0|0,0,0]=2 1545 B10R1.172 C1=CC(=CC(=C1)CO)CO PI-11678 [0,2,0,0,0,0|0,0,0]=2 1546 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-44884 [0,2,0,0,0,0|1,0,1]=4 1547 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-44909 [0,2,0,0,0,0|1,0,1]=4 1548 B10R1.172 C1=CC(=CC(=C1)NN)C#N PI-50325 [0,2,0,0,0,0|1,0,1]=4 1549 B10R1.172 C1=CC(=NC(=C1)CCl)CCl PI-46996 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [0,2,0,0,0,0|0,0,2]=4 1551 B10R1.172 CCC1=CC(=CC=C1)C#N PI-22051 [0,2,0,0,0,0|1,0,0]=3 1552 B10R1.172 CCC1=NC=CC(=C1)C#N PI-44125 [0,2,0,0,0,0|2,0,0]=4 1553 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [0,2,0,0,0,0|2,0,0]=4 1554 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [0,2,0,0,0,0|1,0,1]=4 1556 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [0,2,0,0,0,0|1,0,0]=3 1557 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [0,2,0,0,0,0|1,0,0]=3 1558 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [0,2,0,0,0,0|2,0,0]=4 1559 B10R1.172 COc1cccc(c1)C=O PI-32570 [0,2,0,0,0,0|0,0,2]=4 1560 B10R1.172 COc1nccc(c1)CO PI-39370 [0,2,0,0,0,0|1,0,0]=3 1561 B10R1.172 ClCc1cccc(c1)OC PI-32021 [0,2,0,0,0,0|1,0,0]=3 1562 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [0,2,0,0,0,0|0,0,2]=4 1563 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [0,2,0,0,0,0|0,0,2]=4 1564 B10R1.172 OCc1cccc(CBr)c1 PI-22137 [0,2,0,0,0,0|0,0,0]=2 1565 B10R1.172 OCc1cccc(c1)OC PI-31272 [0,2,0,0,0,0|0,0,0]=2 1566 B10R1.172 OCc1cccc(n1)CO PI-10381 [0,2,0,0,0,0|1,0,0]=3 1567 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [0,2,0,0,0,0|1,0,1]=4 1570 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,2,0,0,0,0|2,0,0]=4 1571 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,2,0,0,0,0|0,0,2]=4 1572 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,2,0,0,0,0|0,0,2]=4 1573 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,2,0,0,0,0|0,0,1]=3 1574 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,2,0,0,0,0|0,0,0]=2 1575 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,2,0,0,0,0|0,0,0]=2 1576 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,2,0,0,0,0|0,0,0]=2 1577 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,2,0,0,0,0|0,0,0]=2 1578 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,2,0,0,0,0|0,0,0]=2 1579 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,2,0,0,0,0|0,0,1]=3 1580 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,2,0,0,0,0|1,0,0]=3 1581 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,2,0,0,0,0|1,0,0]=3 1582 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,2,0,0,0,0|2,0,0]=4 1583 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,2,0,0,0,0|1,0,0]=3 1584 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,2,0,0,0,0|0,0,0]=2 1585 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,2,0,0,0,0|1,0,0]=3 1586 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,2,0,0,0,0|1,0,0]=3 1587 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,2,0,0,0,0|0,0,0]=2 1588 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,2,0,0,0,0|1,0,0]=3 1589 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,2,0,0,0,0|0,0,0]=2 1590 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,2,0,0,0,0|0,0,2]=4 1591 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,2,0,0,0,0|0,0,1]=3 1592 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,2,0,0,0,0|1,0,1]=4 1593 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,2,0,0,0,0|1,0,1]=4 1594 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,2,0,0,0,0|1,0,1]=4 1595 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,2,0,0,0,0|1,0,0]=3 1596 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,2,0,0,0,0|1,0,0]=3 1597 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,2,0,0,0,0|0,0,0]=2 1598 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,2,0,0,0,0|0,0,0]=2 1599 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,2,0,0,0,0|0,0,0]=2 1600 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,2,0,0,0,0|0,0,0]=2 1601 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,2,0,0,0,0|0,0,0]=2 1602 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,2,0,0,0,0|0,0,0]=2 1603 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,2,0,0,0,0|0,0,0]=2 1604 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,2,0,0,0,0|0,0,1]=3 1605 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,2,0,0,0,0|0,0,1]=3 1606 B10R1.28 C1=CC(=CN=C1)C(F)(F)F PI-16950 [0,2,0,0,0,0|2,0,0]=4 1607 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [0,2,0,0,0,0|1,0,1]=4 1608 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [0,2,0,0,0,0|2,0,0]=4 1609 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [0,2,0,0,0,0|0,0,0]=2 1610 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [0,2,0,0,0,0|1,0,0]=3 1611 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,2,0,0,0,0|1,0,0]=3 1612 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,2,0,0,0,0|1,0,1]=4 1613 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [0,2,0,0,0,0|2,0,0]=4 1615 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [0,2,0,0,0,0|1,1,0]=4 1616 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [0,2,0,0,0,0|1,1,0]=4 1617 B10R1.28 FC(F)(F)c1ccccc1 PI-34216 [0,2,0,0,0,0|1,0,0]=3 1618 B10R1.28 FC(c1ccncc1)(F)F PI-16951 [0,2,0,0,0,0|2,0,0]=4 1619 B10R1.28 OS(=O)(=O)c1cccnc1 PI-33168 [0,2,0,0,0,0|2,0,0]=4 1620 B10R1.28 OS(=O)(=O)c1ccncc1 PI-40970 [0,2,0,0,0,0|2,0,0]=4 1621 B10R1.61 B(C1=C(C=NC=C1)Cl)(O)O PI-25587 [0,2,0,0,0,0|2,0,0]=4 1622 B10R1.61 B(C1=C(N=CC=C1)Br)(O)O PI-25583 [0,2,0,0,0,0|2,0,0]=4 1623 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,2,0,0,0,0|1,0,0]=3 1624 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,2,0,0,0,0|1,0,1]=4 1625 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,2,0,0,0,0|0,0,2]=4 1626 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,2,0,0,0,0|0,0,2]=4 1627 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,2,0,0,0,0|0,0,2]=4 1628 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,2,0,0,0,0|0,0,1]=3 1629 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,2,0,0,0,0|0,0,1]=3 1630 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,2,0,0,0,0|0,0,2]=4 1631 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,2,0,0,0,0|0,1,1]=4 1632 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [0,2,0,0,0,0|1,0,0]=3 1633 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,2,0,0,0,0|1,0,0]=3 1634 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,2,0,0,0,0|1,0,1]=4 1635 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,2,0,0,0,0|1,0,1]=4 1636 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,2,0,0,0,0|1,0,1]=4 1637 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,2,0,0,0,0|1,0,1]=4 1638 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,2,0,0,0,0|1,0,1]=4 1639 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,2,0,0,0,0|0,0,2]=4 1640 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,2,0,0,0,0|0,0,2]=4 1641 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,2,0,0,0,0|0,0,2]=4 1642 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,2,0,0,0,0|0,0,2]=4 1643 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,2,0,0,0,0|0,0,2]=4 1644 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,2,0,0,0,0|0,0,2]=4 1645 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,2,0,0,0,0|1,0,0]=3 1646 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,2,0,0,0,0|0,0,0]=2 1647 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,2,0,0,0,0|0,0,0]=2 1648 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,2,0,0,0,0|0,0,0]=2 1649 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,2,0,0,0,0|1,0,0]=3 1650 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,2,0,0,0,0|1,0,1]=4 1651 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,2,0,0,0,0|1,0,1]=4 1652 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,2,0,0,0,0|0,0,2]=4 1653 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,2,0,0,0,0|0,0,2]=4 1654 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,2,0,0,0,0|0,0,0]=2 1655 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,2,0,0,0,0|0,0,0]=2 1656 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,2,0,0,0,0|0,0,0]=2 1657 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,2,0,0,0,0|0,0,0]=2 1658 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,2,0,0,0,0|0,0,2]=4 1659 B10R1.61 FC(F)c1ccccc1Br PI-21634 [0,2,0,0,0,0|1,0,0]=3 1660 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,2,0,0,0,0|0,1,1]=4 1661 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,2,0,0,0,0|0,1,1]=4 1662 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,2,0,0,0,0|1,0,1]=4 1663 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,2,0,0,0,0|1,0,0]=3 1664 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,2,0,0,0,0|1,0,0]=3 1665 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,2,0,0,0,0|1,0,0]=3 1666 B10R1.61 OB(c1cccnc1Cl)O PI-25528 [0,2,0,0,0,0|2,0,0]=4 1667 B10R1.61 OB(c1cccnc1F)O PI-25252 [0,2,0,0,0,0|2,0,0]=4 1668 B10R1.61 OB(c1cnccc1C)O PI-25173 [0,2,0,0,0,0|2,0,0]=4 1669 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,2,0,0,0,0|0,0,1]=3 1670 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,2,0,0,0,0|1,0,1]=4 1671 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,2,0,0,0,0|1,0,1]=4 1672 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,2,0,0,0,0|1,0,1]=4 1673 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,2,0,0,0,0|1,0,1]=4 1674 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,2,0,0,0,0|1,0,1]=4 1675 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,2,0,0,0,0|1,0,1]=4 1676 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,2,0,0,0,0|1,0,1]=4 1677 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,2,0,0,0,0|1,0,1]=4 1678 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,2,0,0,0,0|1,0,1]=4 1679 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,2,0,0,0,0|1,0,1]=4 1680 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,2,0,0,0,0|1,0,1]=4 1681 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,2,0,0,0,0|1,0,1]=4 1682 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,2,0,0,0,0|1,0,1]=4 1683 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,2,0,0,0,0|1,0,1]=4 1684 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,2,0,0,0,0|1,0,1]=4 1685 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,2,0,0,0,0|1,0,0]=3 1686 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,2,0,0,0,0|1,0,1]=4 1687 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,2,0,0,0,0|1,0,1]=4 1688 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,2,0,0,0,0|1,0,1]=4 1689 B10R1.4 BrCCc1ccccc1C PI-21423 [0,2,0,0,0,0|1,0,0]=3 1690 B10R1.4 BrCCc1ccccc1Cl PI-21413 [0,2,0,0,0,0|1,0,0]=3 1691 B10R1.4 BrCCc1ccccc1F PI-34239 [0,2,0,0,0,0|1,0,0]=3 1692 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [0,2,0,0,0,0|1,0,1]=4 1693 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [0,2,0,0,0,0|0,0,1]=3 1694 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [0,2,0,0,0,0|0,0,1]=3 1695 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [0,2,0,0,0,0|1,0,0]=3 1696 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [0,2,0,0,0,0|1,0,0]=3 1697 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [0,2,0,0,0,0|0,0,0]=2 1698 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [0,2,0,0,0,0|1,0,0]=3 1699 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [0,2,0,0,0,0|0,0,2]=4 1700 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [0,2,0,0,0,0|0,0,2]=4 1701 B10R1.4 C1=CC=C(C(=C1)N=C=S)Br PI-14504 [0,2,0,0,0,0|0,1,1]=4 1702 B10R1.4 C1=CC=C(C(=C1)N=C=S)F PI-19528 [0,2,0,0,0,0|0,1,1]=4 1703 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [0,2,0,0,0,0|1,0,0]=3 1704 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [0,2,0,0,0,0|0,0,2]=4 1705 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [0,2,0,0,0,0|1,0,0]=3 1706 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [0,2,0,0,0,0|1,0,0]=3 1707 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [0,2,0,0,0,0|1,0,0]=3 1708 B10R1.4 CCOc1ccncc1N PI-33891 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.4 C[N+]1=CC=CC=C1C=NO PI-17371 [0,2,0,0,0,0|1,0,1]=4 1710 B10R1.4 N#CCc1ccccc1Cl PI-11829 [0,2,0,0,0,0|1,0,0]=3 1711 B10R1.4 N#CCc1ccccc1N PI-16130 [0,2,0,0,0,0|1,0,0]=3 1712 B10R1.4 NCCc1ccccc1Br PI-39292 [0,2,0,0,0,0|1,0,0]=3 1713 B10R1.4 NCCc1ccccc1Cl PI-20209 [0,2,0,0,0,0|1,0,0]=3 1714 B10R1.4 NCCc1ccccc1F PI-38584 [0,2,0,0,0,0|1,0,0]=3 1715 B10R1.4 NOCc1ccccc1Cl PI-39246 [0,2,0,0,0,0|0,0,0]=2 1716 B10R1.4 O=C=Nc1ccccc1F PI-26192 [0,2,0,0,0,0|0,0,2]=4 1717 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [0,2,0,0,0,0|1,0,0]=3 1718 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [0,2,0,0,0,0|1,0,0]=3 1719 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,2,0,0,0,0|0,0,0]=2 1720 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,2,0,0,0,0|0,1,0]=3 1721 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [0,2,0,0,0,0|0,0,0]=2 1722 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [0,2,0,0,0,0|0,0,2]=4 1723 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,2,0,0,0,0|1,0,0]=3 1724 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,2,0,0,0,0|1,0,0]=3 1725 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,2,0,0,0,0|1,0,0]=3 1726 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [0,2,0,0,0,0|1,0,0]=3 1727 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,2,0,0,0,0|1,0,0]=3 1728 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [0,2,0,0,0,0|2,0,0]=4 1729 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [0,2,0,0,0,0|2,0,0]=4 1730 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [0,2,0,0,0,0|2,0,0]=4 1731 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [0,2,0,0,0,0|2,0,0]=4 1732 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [0,2,0,0,0,0|2,0,0]=4 1733 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [0,2,0,0,0,0|2,0,0]=4 1735 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [0,2,0,0,0,0|2,0,0]=4 1736 B10R1.17 CNCCc1ccncc1 PI-12002 [0,2,0,0,0,0|2,0,0]=4 1737 B10R1.17 ClCCCc1ccccc1 PI-33374 [0,2,0,0,0,0|1,0,0]=3 1738 B10R1.17 ClCSCc1ccccc1 PI-19537 [0,2,0,0,0,0|0,1,0]=3 1739 B10R1.17 N#CSCc1ccccc1 PI-32979 [0,2,0,0,0,0|0,1,0]=3 1740 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [0,2,0,0,0,0|1,0,1]=4 1741 B10R1.17 NCCCc1ccccc1 PI-11351 [0,2,0,0,0,0|1,0,0]=3 1742 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [0,2,0,0,0,0|0,0,2]=4 1743 B10R1.17 OCCCc1ccccn1 PI-33813 [0,2,0,0,0,0|1,0,0]=3 1744 B10R1.17 OCCCc1ccncc1 PI-31736 [0,2,0,0,0,0|1,0,0]=3 1745 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,2,0,0,0,0|1,0,0]=3 1746 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,2,0,0,0,0|0,0,0]=2 1747 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [0,2,0,0,0,0|1,0,1]=4 1748 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,2,0,0,0,0|1,0,0]=3 1749 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,2,0,0,0,0|1,0,0]=3 1750 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,2,0,0,0,0|1,0,1]=4 1751 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,2,0,0,0,0|0,0,2]=4 1752 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,2,0,0,0,0|1,0,0]=3 1753 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,2,0,0,0,0|1,0,1]=4 1754 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,2,0,0,0,0|1,0,1]=4 1755 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,2,0,0,0,0|1,0,1]=4 1756 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,2,0,0,0,0|1,0,1]=4 1757 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,2,0,0,0,0|1,0,1]=4 1758 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,2,0,0,0,0|1,0,0]=3 1759 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,2,0,0,0,0|1,0,1]=4 1760 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,2,0,0,0,0|2,0,0]=4 1761 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [0,2,0,0,0,0|0,1,1]=4 1762 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,2,0,0,0,0|1,0,1]=4 1763 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,2,0,0,0,0|1,0,0]=3 1764 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,2,0,0,0,0|1,0,0]=3 1765 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [0,2,0,0,0,0|2,0,0]=4 1766 B10R1.20 C#CC1=CC=CC=C1C=O PI-26604 [0,2,0,0,0,0|0,0,2]=4 1767 B10R1.20 C#Cc1ccccc1OC PI-30918 [0,2,0,0,0,0|1,0,1]=4 1768 B10R1.20 C1=CC=C(C(=C1)C=O)C#N PI-11835 [0,2,0,0,0,0|0,0,2]=4 1769 B10R1.20 C1=CC=C(C(=C1)CBr)CBr PI-19978 [0,2,0,0,0,0|1,0,0]=3 1770 B10R1.20 C1=CC=C(C(=C1)CCl)C#N PI-11826 [0,2,0,0,0,0|1,0,0]=3 1771 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [0,2,0,0,0,0|0,0,0]=2 1772 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [0,2,0,0,0,0|1,0,0]=3 1773 B10R1.20 CCC1=CC=CC=C1NN PI-12293 [0,2,0,0,0,0|1,0,0]=3 1774 B10R1.20 CCC1=CC=CC=C1NN PI-50566 [0,2,0,0,0,0|1,0,0]=3 1775 B10R1.20 CCc1ccccc1CC PI-38722 [0,2,0,0,0,0|1,0,0]=3 1776 B10R1.20 COC1=CC=CC=C1CN PI-31715 [0,2,0,0,0,0|1,0,0]=3 1777 B10R1.20 COC1=CC=CC=C1NN PI-29852 [0,2,0,0,0,0|2,0,0]=4 1778 B10R1.20 COC1=CC=CC=C1NN PI-50513 [0,2,0,0,0,0|2,0,0]=4 1779 B10R1.20 COC1=CC=CC=C1SC PI-11860 [0,2,0,0,0,0|2,0,0]=4 1780 B10R1.20 COc1ccccc1CCl PI-34182 [0,2,0,0,0,0|1,0,0]=3 1781 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [0,2,0,0,0,0|0,0,2]=4 1782 B10R1.20 N#Cc1ccccc1CBr PI-12730 [0,2,0,0,0,0|1,0,0]=3 1783 B10R1.20 N#Cc1ccccc1CN PI-38828 [0,2,0,0,0,0|1,0,0]=3 1784 B10R1.20 N#Cc1ccccc1CO PI-38221 [0,2,0,0,0,0|0,0,0]=2 1785 B10R1.20 N#Cc1ccccc1OC PI-11857 [0,2,0,0,0,0|1,0,1]=4 1786 B10R1.20 O=Cc1ccccc1C=O PI-31254 [0,2,0,0,0,0|0,0,2]=4 1787 B10R1.245 BrCc1c(F)cccc1Cl PI-20077 [0,2,0,0,0,0|1,0,0]=3 1788 B10R1.245 BrCc1c(F)cccc1F PI-13392 [0,2,0,0,0,0|1,0,0]=3 1789 B10R1.245 C1=CC(=C(C(=C1)Br)C#N)F PI-10687 [0,2,0,0,0,0|1,0,1]=4 1790 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)Cl PI-35930 [0,2,0,0,0,0|0,0,2]=4 1791 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)N PI-40830 [0,2,0,0,0,0|0,0,2]=4 1792 B10R1.245 C1=CC(=C(C(=C1)Br)CBr)Cl PI-20621 [0,2,0,0,0,0|1,0,0]=3 1793 B10R1.245 C1=CC(=C(C(=C1)Cl)C#N)F PI-16136 [0,2,0,0,0,0|1,0,1]=4 1794 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)Cl PI-34227 [0,2,0,0,0,0|1,0,0]=3 1795 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)F PI-33406 [0,2,0,0,0,0|1,0,0]=3 1796 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)Cl PI-32223 [0,2,0,0,0,0|0,0,0]=2 1797 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)F PI-28646 [0,2,0,0,0,0|0,0,0]=2 1798 B10R1.245 C1=CC(=C(C(=C1)Cl)NN)Cl PI-29641 [0,2,0,0,0,0|2,0,0]=4 1799 B10R1.245 C1=CC(=C(C(=C1)F)C#N)F PI-31781 [0,2,0,0,0,0|1,0,1]=4 1800 B10R1.245 C1=CC(=C(C(=C1)F)C#N)N PI-28814 [0,2,0,0,0,0|1,0,1]=4 1801 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O PI-10696 [0,2,0,0,0,0|1,0,1]=4 1802 B10R1.245 C1=CC(=C(C(=C1)F)CN)F PI-31271 [0,2,0,0,0,0|1,0,0]=3 1803 B10R1.245 C1=CC(=C(C(=C1)F)CN)N PI-15923 [0,2,0,0,0,0|1,0,0]=3 1804 B10R1.245 C1=CC(=C(C(=C1)F)CO)F PI-28243 [0,2,0,0,0,0|0,0,0]=2 1805 B10R1.245 C1=CC(=C(C(=C1)I)C#N)F PI-10698 [0,2,0,0,0,0|1,0,1]=4 1806 B10R1.245 C1=CC(=C(C(=C1)I)C=O)F PI-10580 [0,2,0,0,0,0|0,0,2]=4 1807 B10R1.245 CC1=C(C(=CC=C1)C)C#N PI-29833 [0,2,0,0,0,0|1,0,1]=4 1808 B10R1.245 CC1=C(C(=CC=C1)C)C=O PI-27082 [0,2,0,0,0,0|0,0,2]=4 1809 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [0,2,0,0,0,0|0,0,0]=2 1810 B10R1.245 CC1=C(C(=CC=C1)C)NN PI-50511 [0,2,0,0,0,0|2,0,0]=4 1811 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [0,2,0,0,0,0|0,0,2]=4 1812 B10R1.245 COC1=C(C=CC=C1Br)F PI-10731 [0,2,0,0,0,0|2,0,0]=4 1813 B10R1.245 COC1=C(C=CC=C1I)F PI-10732 [0,2,0,0,0,0|2,0,0]=4 1814 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [0,2,0,0,0,0|2,0,0]=4 1815 B10R1.245 COC1=C(Cl)C=CC=C1Cl PI-42640 [0,2,0,0,0,0|2,0,0]=4 1816 B10R1.245 COc1c(Br)cccc1Br PI-36881 [0,2,0,0,0,0|2,0,0]=4 1817 B10R1.245 COc1c(F)cccc1F PI-28529 [0,2,0,0,0,0|2,0,0]=4 1818 B10R1.245 COc1c(N)cccc1F PI-34516 [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.245 ClCc1c(C)cccc1C PI-23826 [0,2,0,0,0,0|1,0,0]=3 1820 B10R1.245 ClCc1c(F)cccc1F PI-21149 [0,2,0,0,0,0|1,0,0]=3 1821 B10R1.245 N#Cc1c(C)cccc1F PI-34464 [0,2,0,0,0,0|1,0,1]=4 1822 B10R1.245 N#Cc1c(C)cccc1N PI-30717 [0,2,0,0,0,0|1,0,1]=4 1823 B10R1.245 N#Cc1c(Cl)cccc1Cl PI-33090 [0,2,0,0,0,0|1,0,1]=4 1824 B10R1.245 NCc1c(C)cccc1C PI-39516 [0,2,0,0,0,0|1,0,0]=3 1825 B10R1.245 NCc1c(Cl)cccc1Cl PI-11763 [0,2,0,0,0,0|1,0,0]=3 1826 B10R1.245 NCc1c(F)cccc1Cl PI-20072 [0,2,0,0,0,0|1,0,0]=3 1827 B10R1.245 NNc1c(F)cccc1F PI-10482 [0,2,0,0,0,0|2,0,0]=4 1828 B10R1.245 NNc1c(F)cccc1F PI-10634 [0,2,0,0,0,0|2,0,0]=4 1829 B10R1.245 O=CC1=C(O)C=CC=C1Br PI-37162 [0,2,0,0,0,0|0,0,2]=4 1830 B10R1.245 O=Cc1c(Br)cccc1Br PI-35931 [0,2,0,0,0,0|0,0,2]=4 1831 B10R1.245 O=Cc1c(Cl)cccc1Cl PI-31780 [0,2,0,0,0,0|0,0,2]=4 1832 B10R1.245 O=Cc1c(F)cccc1Br PI-28929 [0,2,0,0,0,0|0,0,2]=4 1833 B10R1.245 O=Cc1c(F)cccc1Cl PI-16953 [0,2,0,0,0,0|0,0,2]=4 1834 B10R1.245 O=Cc1c(F)cccc1F PI-28528 [0,2,0,0,0,0|0,0,2]=4 1835 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [0,2,0,0,0,0|0,0,2]=4 1836 B10R1.245 O=Cc1c(O)cccc1F PI-27539 [0,2,0,0,0,0|0,0,2]=4 1837 B10R1.245 O=Cc1c(O)cccc1O PI-39426 [0,2,0,0,0,0|0,0,2]=4 1838 B10R1.245 SCc1c(F)cccc1Cl PI-20085 [0,2,0,0,0,0|0,1,0]=3 1839 B8R2.34 C12C=CC(C1)C=C2 PI-39675 [1,0,0,1,0,0|0,0,2]=4 1840 B8R2.55 C1CC12C=CC=C2 PI-39316 [0,0,0,1,1,0|1,0,1]=4 1841 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [0,1,0,1,0,0|1,0,0]=3 1842 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [0,1,0,1,0,0|1,0,0]=3 1843 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [0,1,0,1,0,0|1,0,0]=3 1844 B10R2.6 C1CC1c2ccccc2 PI-17840 [0,1,0,1,0,0|1,0,0]=3 1845 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [0,1,0,1,0,0|0,0,0]=2 1846 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [0,1,0,1,0,0|0,0,0]=2 1847 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,1,0,1,0,0|0,0,1]=3 1848 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [0,1,0,1,0,0|1,0,0]=3 1849 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [0,1,0,1,0,0|1,0,0]=3 1850 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [0,1,0,1,0,0|1,0,1]=4 1851 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [0,1,0,1,0,0|0,0,1]=3 1852 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [0,1,0,1,0,0|0,1,1]=4 1853 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [0,1,0,1,0,0|2,0,0]=4 1854 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [0,1,0,1,0,0|1,0,0]=3 1855 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [0,1,0,1,0,0|0,0,0]=2 1856 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [0,1,0,1,0,0|1,0,0]=3 1857 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [0,1,0,1,0,0|1,0,1]=4 1858 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [0,1,0,1,0,0|1,0,1]=4 1859 B10R2.7 c1ccc2c(c1)non2 PI-38745 [0,1,0,1,0,0|1,0,0]=3 1860 B10R2.7 c1ccc2ccsc2c1 PI-14247 [0,1,0,1,0,0|0,1,1]=4 1861 B10R2.7 c1ccc2nsnc2c1 PI-11675 [0,1,0,1,0,0|1,1,0]=4 1862 B10R2.7 c1cnc2c(c1)CNC2 PI-39410 [0,1,0,1,0,0|2,0,0]=4 1863 B10R2.7 c1cnc2c(c1)CNC2 PI-39560 [0,1,0,1,0,0|2,0,0]=4 1864 B6R1.2 Brc1ccco1 PI-14449 [1,0,0,0,1,0|2,0,0]=4 1865 B6R1.2 Brc1cccs1 PI-11144 [1,0,0,0,1,0|2,0,0]=4 1866 B6R1.2 Brc1cscc1 PI-10760 [1,0,0,0,1,0|2,0,0]=4 1867 B6R1.2 C1=CNC=C1F PI-49258 [1,0,0,0,1,0|2,0,0]=4 1868 B6R1.2 C1=CSC=C1F PI-49323 [1,0,0,0,1,0|2,0,0]=4 1869 B6R1.2 CC1=CC=CS1 PI-11146 [1,0,0,0,1,0|1,0,0]=3 1870 B6R1.2 CC1=CN=CN1 PI-44758 [1,0,0,0,1,0|2,0,0]=4 1871 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,0,1,0|1,0,0]=3 1872 B6R1.2 Cc1c[nH]nc1 PI-34810 [1,0,0,0,1,0|2,0,0]=4 1873 B6R1.2 Cc1cc[nH]n1 PI-31344 [1,0,0,0,1,0|2,0,0]=4 1874 B6R1.2 Cc1cncs1 PI-33497 [1,0,0,0,1,0|2,0,0]=4 1875 B6R1.2 Cc1nccs1 PI-11132 [1,0,0,0,1,0|2,0,0]=4 1876 B6R1.2 ClC1=CSC=C1 PI-11160 [1,0,0,0,1,0|2,0,0]=4 1877 B6R1.2 Cn1cccn1 PI-37584 [1,0,0,0,1,0|2,0,0]=4 1878 B6R1.2 Cn1cncc1 PI-31809 [1,0,0,0,1,0|2,0,0]=4 1879 B6R1.2 Ic1cccs1 PI-11145 [1,0,0,0,1,0|2,0,0]=4 1880 B6R1.2 Sc1cccs1 PI-27908 [1,0,0,0,1,0|1,1,0]=4