0 B11R1.605 C1=C(C(=C(C=C1)Cl)CC#N)F PI-28801 [0,0,0,0,0,0|0,1,2]=3 1 B11R1.605 C1=CC(=C(C(=C1)Cl)C=NO)Cl PI-14299 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.605 C1=CC(=C(C(=C1)Cl)C=NO)F PI-28532 [0,0,0,0,0,0|2,1,1]=4 3 B11R1.605 C1=CC(=C(C(=C1)Cl)CC#N)Cl PI-11764 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl PI-35238 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.605 C1=CC(=C(C(=C1)Cl)N=C=O)Cl PI-11423 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.605 C1=CC(=C(C(=C1)Cl)N=C=S)F PI-44885 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.605 C1=CC(=C(C(=C1)Cl)N=C=S)F PI-44910 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.605 C1=NC(=C(C(=N1)Cl)CC=O)Cl PI-45068 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.605 CC1=C(C(=CC=C1)Cl)N=C=O PI-20173 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.605 CCCc1c(O)cccc1O PI-19109 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.605 N#CCc1c(F)cccc1F PI-28726 [0,0,0,0,0,0|0,2,2]=4 12 B11R1.605 NCCc1c(F)cccc1Cl PI-17329 [0,0,0,0,0,0|0,1,0]=1 13 B10R1.4 BrCCc1ccccc1C PI-21423 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.4 BrCCc1ccccc1F PI-34239 [1,0,0,0,0,0|1,1,0]=3 16 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,0,0,0,0,0|0,1,2]=4 19 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,0,0,0,0,0|0,1,2]=4 20 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,0,0,0,0,0|1,1,0]=3 21 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,0,0,0,0,0|1,1,0]=3 22 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,0,0,0,0,0|2,1,0]=4 25 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,0,0,0,0,0|2,1,0]=4 26 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,0,0,0,0,0|0,0,2]=3 28 B10R1.4 N#CCc1ccccc1N PI-16130 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.4 NCCc1ccccc1Br PI-39292 [1,0,0,0,0,0|0,1,0]=2 30 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,0,0,0,0,0|0,0,0]=1 31 B10R1.4 NCCc1ccccc1F PI-38584 [1,0,0,0,0,0|0,1,0]=2 32 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.245 BrCc1c(F)cccc1Cl PI-20077 [1,0,0,0,0,0|1,1,0]=3 35 B10R1.245 BrCc1c(F)cccc1F PI-13392 [1,0,0,0,0,0|1,2,0]=4 36 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)Cl PI-35930 [1,0,0,0,0,0|1,1,1]=4 37 B10R1.245 C1=CC(=C(C(=C1)Br)CBr)Cl PI-20621 [1,0,0,0,0,0|1,1,0]=3 38 B10R1.245 C1=CC(=C(C(=C1)Cl)C#N)F PI-16136 [1,0,0,0,0,0|0,1,2]=4 39 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)Cl PI-34227 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)F PI-33406 [1,0,0,0,0,0|1,1,0]=3 41 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)Cl PI-32223 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)F PI-28646 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.245 C1=CC(=C(C(=C1)Cl)NN)Cl PI-29641 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.245 C1=CC(=C(C(=C1)F)CN)F PI-31271 [1,0,0,0,0,0|0,2,0]=3 45 B10R1.245 C1=CC(=C(C(=C1)F)CN)N PI-15923 [1,0,0,0,0,0|1,1,0]=3 46 B10R1.245 C1=CC(=C(C(=C1)F)CO)F PI-28243 [1,0,0,0,0,0|1,2,0]=4 47 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.245 CC1=C(C(=CC=C1)C)NN PI-50511 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.245 COC1=C(C=CC=C1Br)F PI-10731 [1,0,0,0,0,0|1,2,0]=4 51 B10R1.245 COC1=C(C=CC=C1I)F PI-10732 [1,0,0,0,0,0|1,2,0]=4 52 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.245 COC1=C(Cl)C=CC=C1Cl PI-42640 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.245 COc1c(Br)cccc1Br PI-36881 [1,0,0,0,0,0|1,2,0]=4 55 B10R1.245 COc1c(Cl)ncnc1Cl PI-21330 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.245 COc1c(F)cccc1F PI-28529 [1,0,0,0,0,0|1,2,0]=4 57 B10R1.245 COc1c(N)cccc1F PI-34516 [1,0,0,0,0,0|2,1,0]=4 58 B10R1.245 ClCc1c(C)cccc1C PI-23826 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.245 ClCc1c(F)cccc1F PI-21149 [1,0,0,0,0,0|1,2,0]=4 60 B10R1.245 N#Cc1c(Cl)cccc1Cl PI-33090 [1,0,0,0,0,0|0,0,2]=3 61 B10R1.245 NCc1c(C)cccc1C PI-39516 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.245 NCc1c(Cl)cccc1Cl PI-11763 [1,0,0,0,0,0|0,0,0]=1 63 B10R1.245 NCc1c(F)cccc1Cl PI-20072 [1,0,0,0,0,0|0,1,0]=2 64 B10R1.245 NNc1c(F)cccc1F PI-10482 [1,0,0,0,0,0|1,2,0]=4 65 B10R1.245 NNc1c(F)cccc1F PI-10634 [1,0,0,0,0,0|1,2,0]=4 66 B10R1.245 O=Cc1c(Cl)cccc1Cl PI-31780 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.245 O=Cc1c(Cl)ccnc1Cl PI-39090 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.245 O=Cc1c(F)cccc1Cl PI-16953 [1,0,0,0,0,0|1,1,1]=4 69 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.245 SCc1c(F)cccc1Cl PI-20085 [1,0,0,0,0,0|1,1,0]=3 71 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=N)N)Cl PI-21062 [0,1,0,0,0,0|0,0,1]=2 72 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl PI-21063 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F PI-30548 [0,1,0,0,0,0|1,1,1]=4 74 B12R1.1095 C1=C(C=C(C(=C1Cl)OC=O)Cl)Cl PI-39681 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.1095 S=C=Nc1c(Cl)cc(cc1Cl)Cl PI-24243 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.1631 OCCSc1c(C)cccc1C PI-23965 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.3441 C1=CC(=C(C(=C1)Cl)C(=NO)Cl)Cl PI-21044 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.3441 C1=CC(=C(C(=C1)Cl)C(=O)CBr)Cl PI-21603 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.3441 COC(=O)C1=C(C=CC=C1Cl)Cl PI-50416 [0,1,0,0,0,0|2,0,1]=4 80 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-30271 [0,0,0,1,0,0|2,0,1]=4 81 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-45315 [0,0,0,1,0,0|2,0,1]=4 82 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=N2)N PI-45114 [0,0,0,1,0,0|2,0,1]=4 83 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,0,0,1,0,0|2,0,1]=4 84 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44889 [0,0,0,1,0,0|2,1,0]=4 85 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44914 [0,0,0,1,0,0|2,1,0]=4 86 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.1081 Nc1cccc2c1CCNC2 PI-17677 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.8 NCCc1cccnc1 PI-23439 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.8 NCCc1ccncc1 PI-15907 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.15 BrCc1ccccc1Br PI-11809 [2,0,0,0,0,0|1,1,0]=4 106 B9R1.15 BrCc1ccccc1I PI-29573 [2,0,0,0,0,0|1,1,0]=4 107 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [2,0,0,0,0,0|0,0,2]=4 108 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [2,0,0,0,0,0|1,1,0]=4 109 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [2,0,0,0,0,0|1,1,0]=4 113 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [2,0,0,0,0,0|1,1,0]=4 114 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [2,0,0,0,0,0|0,1,0]=3 115 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [2,0,0,0,0,0|0,0,0]=2 116 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [2,0,0,0,0,0|0,1,0]=3 117 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [2,0,0,0,0,0|1,1,0]=4 118 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [2,0,0,0,0,0|1,1,0]=4 121 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [2,0,0,0,0,0|1,1,0]=4 123 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [2,0,0,0,0,0|1,1,0]=4 125 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [2,0,0,0,0,0|1,1,0]=4 126 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [2,0,0,0,0,0|0,1,0]=3 128 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [2,0,0,0,0,0|0,0,0]=2 129 B9R1.15 CCC1=CC=CC=C1I PI-19242 [2,0,0,0,0,0|0,1,0]=3 130 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [2,0,0,0,0,0|1,1,0]=4 131 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.15 CCc1ccccc1C PI-36541 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.15 CNC1=CC=CC=C1F PI-28236 [2,0,0,0,0,0|1,1,0]=4 134 B9R1.15 CNC1=CC=CC=C1N PI-23401 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 CNC1=CC=CC=C1N PI-28564 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.15 CNc1cccnc1Cl PI-32645 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.15 COC1=CC=CC=C1Br PI-34200 [2,0,0,0,0,0|1,1,0]=4 138 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.15 COC1=CC=CC=C1F PI-12348 [2,0,0,0,0,0|1,1,0]=4 140 B9R1.15 COC1=CC=CC=C1I PI-50209 [2,0,0,0,0,0|1,1,0]=4 141 B9R1.15 COc1ccccc1S PI-21364 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 COc1cccnc1Cl PI-27671 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [2,0,0,0,0,0|1,1,0]=4 144 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.15 CSC1=CC=CC=C1F PI-11849 [2,0,0,0,0,0|1,1,0]=4 146 B9R1.15 CSC1=CC=CC=C1O PI-20874 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 CSc1ccccc1I PI-13705 [2,0,0,0,0,0|1,1,0]=4 148 B9R1.15 N#Cc1ccccc1Cl PI-34735 [2,0,0,0,0,0|0,0,2]=4 149 B9R1.15 NCC1=NC=CN=C1Cl PI-42457 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 NCc1ccccc1Br PI-38543 [2,0,0,0,0,0|0,1,0]=3 151 B9R1.15 NCc1ncccc1C PI-36263 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 NNc1ccccc1C PI-29808 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.15 O=Cc1ccccc1Cl PI-34387 [2,0,0,0,0,0|1,0,1]=4 154 B9R1.15 OCc1ccccc1F PI-28537 [2,0,0,0,0,0|1,1,0]=4 155 B9R1.15 OCc1ccccc1O PI-36548 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 SCc1ccccc1F PI-23494 [2,0,0,0,0,0|1,1,0]=4 157 B9R1.3 Brc1c(Cl)cccc1Br PI-36772 [2,0,0,0,0,0|1,1,0]=4 158 B9R1.3 Brc1cccc(c1C)Br PI-30854 [2,0,0,0,0,0|0,2,0]=4 159 B9R1.3 C1=C(C(=C(C=N1)Cl)Br)Cl PI-28407 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.3 C1=C(C(=C(C=N1)Cl)N)Cl PI-16166 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.3 C1=C(C(=O)C(=CN1)Cl)Cl PI-28203 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.3 C1=CC(=C(C(=C1)Br)N)F PI-28732 [2,0,0,0,0,0|0,2,0]=4 163 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)Cl PI-33015 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)F PI-21033 [2,0,0,0,0,0|1,1,0]=4 165 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S PI-21353 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.3 C1=CC(=C(C(=C1)Cl)F)F PI-28648 [2,0,0,0,0,0|1,1,0]=4 167 B9R1.3 C1=CC(=C(C(=C1)Cl)N)F PI-16936 [2,0,0,0,0,0|0,1,0]=3 168 B9R1.3 C1=CC(=C(C(=C1)Cl)N)S PI-41796 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F PI-16877 [2,0,0,0,0,0|1,1,0]=4 170 B9R1.3 C1=CC(=C(C(=C1)Cl)S)Cl PI-17253 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.3 C1=CC(=C(C(=C1)I)Cl)Cl PI-31839 [2,0,0,0,0,0|1,1,0]=4 172 B9R1.3 C1=CC(=C(C(=C1)I)N)F PI-34647 [2,0,0,0,0,0|0,2,0]=4 173 B9R1.3 C1=CC=C(C(=C1Br)C)N PI-19715 [2,0,0,0,0,0|1,1,0]=4 174 B9R1.3 CC1=C(C(=CC=C1)Br)N PI-21583 [2,0,0,0,0,0|1,1,0]=4 175 B9R1.3 CC1=C(C(=CC=C1)Cl)Br PI-19844 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.3 CC1=C(C(=CC=C1)Cl)F PI-28868 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.3 CC1=C(C(=CC=C1)Cl)I PI-19664 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.3 CC1=C(C(=CC=C1)F)N PI-10462 [2,0,0,0,0,0|1,1,0]=4 179 B9R1.3 CC1=C(C(=CC=C1)N)C PI-27689 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.3 CC1=C(C(=CC=C1)N)N PI-20954 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.3 CC1=C(C(=NC=C1)Cl)N PI-10382 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.3 CC1=C(C)C(F)=CC=C1 PI-11597 [2,0,0,0,0,0|1,1,0]=4 183 B9R1.3 CC1=C(C=CC=C1Br)Cl PI-20670 [2,0,0,0,0,0|0,1,0]=3 184 B9R1.3 CC1=C(C=CC=C1Br)F PI-10665 [2,0,0,0,0,0|0,2,0]=4 185 B9R1.3 CC1=C(C=CC=C1F)F PI-10670 [2,0,0,0,0,0|0,2,0]=4 186 B9R1.3 CC1=C(C=CC=C1F)N PI-28534 [2,0,0,0,0,0|1,1,0]=4 187 B9R1.3 CC1=C(C=CC=C1F)O PI-33695 [2,0,0,0,0,0|1,1,0]=4 188 B9R1.3 CC1=C(C=CC=C1I)F PI-10674 [2,0,0,0,0,0|0,2,0]=4 189 B9R1.3 CC1=C(Cl)C(Cl)=CC=C1 PI-27484 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.3 Cc1c(C)cccc1Br PI-38905 [2,0,0,0,0,0|1,1,0]=4 191 B9R1.3 Cc1c(F)cccc1Cl PI-33407 [2,0,0,0,0,0|0,1,0]=3 192 B9R1.3 Cc1c(O)cccc1O PI-13269 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.3 ClC1=CC=CC(Br)=C1I PI-41926 [2,0,0,0,0,0|1,1,0]=4 194 B9R1.3 Clc1c(O)cccc1Cl PI-37792 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.3 Clc1cccc(Cl)[n+]1[O-] PI-42561 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.3 Clc1cncc(Cl)c1Cl PI-33527 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.3 Clc1cncc(c1F)Cl PI-28912 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.3 Clc1ncnc(c1N)Cl PI-11354 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.3 F[n+]1c(Cl)cccc1Cl PI-23568 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.3 Fc1c(Cl)cccc1Br PI-11590 [2,0,0,0,0,0|1,1,0]=4 201 B9R1.3 Fc1c(Cl)cccc1I PI-20091 [2,0,0,0,0,0|1,1,0]=4 202 B9R1.3 Fc1cccc(c1N)F PI-31231 [2,0,0,0,0,0|0,2,0]=4 203 B9R1.3 NC1=C(N)C=CN=C1Cl PI-35295 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.3 Nc1c(C)cccc1Cl PI-12044 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.3 Nc1c(C)cccc1O PI-11311 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.3 Nc1c(Cl)cccc1I PI-36760 [2,0,0,0,0,0|0,1,0]=3 207 B9R1.3 Nc1c(O)cccc1Br PI-36538 [2,0,0,0,0,0|1,1,0]=4 208 B9R1.3 Oc1c(C)cccc1Cl PI-20168 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.3 Oc1cccc(c1N)O PI-32329 [2,0,0,0,0,0|2,0,0]=4 210 B11R1.13 C1=CC(=C(C(=C1)Cl)Cl)CC#N PI-16138 [1,1,0,0,0,0|0,0,2]=4 211 B11R1.17 C1=CC=C(C(=C1)C#CCO)Cl PI-20216 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl PI-23616 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.17 OCCSc1ccccc1Br PI-22561 [1,1,0,0,0,0|1,1,0]=4 214 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [1,1,0,0,0,0|0,1,1]=4 215 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.41 COC1=CC=CC=C1CCN PI-31713 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N PI-32218 [1,1,0,0,0,0|0,0,2]=4 218 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.81 C1=CC(=C(C=C1F)Cl)CC#N PI-20106 [1,1,0,0,0,0|0,0,2]=4 221 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.182 C1=CC(=C(C=C1Cl)CC#N)Cl PI-35239 [1,1,0,0,0,0|0,0,2]=4 226 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.72 C1=CC(=C(C(=C1Cl)C=O)Cl)Cl PI-27610 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.72 C1=CC(=C(C(=C1F)CBr)Cl)F PI-20040 [1,1,0,0,0,0|1,1,0]=4 230 B11R1.72 C1=CC(=C(C(=C1F)CN)F)Cl PI-17450 [1,1,0,0,0,0|0,2,0]=4 231 B11R1.72 CC1=C(C(=C(C=C1)Cl)CO)F PI-20101 [1,1,0,0,0,0|1,1,0]=4 232 B11R1.72 CC1=C(C(=C(C=C1)F)CO)Cl PI-20100 [1,1,0,0,0,0|1,1,0]=4 233 B11R1.72 NCc1c(F)ccc(c1Cl)F PI-20039 [1,1,0,0,0,0|0,1,0]=3 234 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl PI-11762 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)Cl PI-33780 [1,1,0,0,0,0|0,0,1]=3 236 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)F PI-28735 [1,1,0,0,0,0|0,1,1]=4 237 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [1,1,0,0,0,0|0,0,1]=3 238 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [1,1,0,0,0,0|0,1,1]=4 239 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.156 OB(O)c1c(Cl)cccc1Cl PI-35960 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.265 COc1cccc(F)c1CN PI-30162 [1,1,0,0,0,0|1,1,0]=4 243 B11R1.464 C1=C(C=C(C(=C1Cl)C=O)Cl)Cl PI-43254 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.464 C1=C(C=C(C(=C1Cl)CO)Cl)Cl PI-43255 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.464 C1=C(C=C(C(=C1F)CN)F)F PI-42943 [1,1,0,0,0,0|0,2,0]=4 246 B11R1.464 COc1c(F)cc(Br)cc1Cl PI-20625 [1,1,0,0,0,0|1,1,0]=4 247 B11R1.464 NCc1c(C)cc(cc1C)C PI-38580 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.464 O=Cc1c(Cl)cc(O)cc1Cl PI-33345 [1,1,0,0,0,0|1,0,1]=4 249 B13R1.2808 C1=C(C=C(C(=C1Cl)NC(=S)N)Cl)Cl PI-24311 [0,2,0,0,0,0|1,0,1]=4 250 B13R1.4928 COC(=O)CC1=C(C=CC=C1Cl)Cl PI-30700 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.1601 NCCOc1c(C)cc(Br)cc1C PI-21393 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.3787 CC(COc1c(C)cccc1C)N PI-12913 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.4453 CCOC(=O)C1=C(C=CC=C1Cl)Cl PI-50417 [0,2,0,0,0,0|1,0,1]=4 254 B13R1.8919 C1=CC(=C(C(=C1)Cl)COCCO)Cl PI-44331 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.8919 C1=CC(=C(C(=C1)Cl)CSCCN)F PI-20084 [0,2,0,0,0,0|0,1,0]=3 256 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [1,0,0,1,0,0|2,0,0]=4 257 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [1,0,0,1,0,0|2,0,0]=4 258 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [1,0,0,1,0,0|2,0,0]=4 259 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [1,0,0,1,0,0|1,0,0]=3 260 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.20 C1CCc2ccccc2N1 PI-32264 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,1,0,0|1,0,1]=4 263 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|1,0,0]=3 264 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|1,0,0]=3 265 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [1,0,0,1,0,0|0,0,2]=4 266 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl PI-34922 [1,0,0,1,0,0|1,0,1]=4 267 B11R2.106 C1CNC2=C1C(=CC=C2)Br PI-36066 [1,0,0,1,0,0|0,1,0]=3 268 B11R2.106 C1CNC2=C1C(=CC=C2)Cl PI-11092 [1,0,0,1,0,0|0,0,0]=2 269 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [1,0,0,1,0,0|2,0,0]=4 270 B13R2.342 C1CC2=C(C=CC=C2Cl)C(=O)C1 PI-32667 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.342 O=C1NCCc2c(O)cccc12 PI-36228 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2Cl PI-40272 [0,1,0,1,0,0|2,0,0]=4