0 B11R1.182 C1=CC(=C(C=C1Cl)CC#N)Cl PI-35239 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.182 CC1=C(C=C(C=C1)Cl)N=C=O PI-24398 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.182 CC1=C(C=C(C=C1)F)N=C=S PI-23774 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.182 CC1=CC(=C(C=C1)C)N=C=S PI-23928 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.182 Cc1cc(N=C=S)c(F)cc1 PI-23769 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.182 Cc1ccc(F)cc1CC#N PI-23764 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.182 Cc1ccc(O)cc1NCC PI-11924 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.182 FC1=C(CC#N)C=C(Cl)C=C1 PI-40312 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.182 Fc1ccc(cc1CC#N)F PI-28764 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.4 BrCCc1ccccc1C PI-21423 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 BrCCc1ccccc1F PI-34239 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.4 N#CCc1ccccc1N PI-16130 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.4 NCCc1ccccc1Br PI-39292 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.4 NCCc1ccccc1F PI-38584 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.30 BrCc1cc(Cl)ccc1Cl PI-38192 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.30 BrCc1cc(Cl)ccc1F PI-20079 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl PI-27419 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.30 C1=CC(=C(C=C1F)CBr)Br PI-14438 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl PI-34130 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.30 C1=CC(=C(C=C1F)CBr)F PI-13390 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 C1=CC(=C(C=C1F)NN)Cl PI-50546 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-10633 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-21223 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.30 CC1=C(C=C(C=C1)F)C#N PI-28817 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [1,0,0,0,0,0|0,0,2]=3 77 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.30 CC1=CC(=C(C=C1)F)C#N PI-28713 [1,0,0,0,0,0|1,0,2]=4 80 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.30 CC1=CC(=C(C=C1)N)C#N PI-34275 [1,0,0,0,0,0|1,0,2]=4 82 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.30 CC1=NC(=C(C=C1)N)NC PI-35679 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.30 COc1cc(Br)ccc1F PI-34341 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [1,0,0,0,0,0|3,0,0]=4 105 B12R1.127 CC1=C(C=C(C=C1)F)NC(=S)N PI-29189 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.127 Cc1ccc(C)cc1NC(=S)N PI-23971 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.354 CC1=CC(=C(C=C1)N)C(=O)NN PI-19389 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.374 Cc1ccc(C)cc1SCCO PI-23964 [0,1,0,0,0,0|1,0,0]=2 114 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.24 CC1=NC2=C(CCCC2)C=C1 PI-11111 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [0,0,0,1,0,0|1,0,0]=2 120 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [0,0,0,1,0,0|1,0,0]=2 122 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N PI-45051 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.606 CC1=CC2=C(SC(N)=N2)C=C1 PI-11119 [0,0,0,1,0,0|2,0,1]=4 130 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 PI-42264 [0,0,0,1,0,0|1,0,0]=2 131 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,0,0,1,0,0|2,0,1]=4 132 B10R1.187 CC1=C(C(=NN1)C)CCCl PI-21945 [0,0,0,0,1,0|3,0,0]=4 133 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.8 NCCc1cccnc1 PI-23439 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.8 NCCc1ccncc1 PI-15907 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 BrCc1ccccc1Br PI-11809 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 BrCc1ccccc1I PI-29573 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [2,0,0,0,0,0|1,0,1]=4 168 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.15 CCC1=CC=CC=C1I PI-19242 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 CCC1=NC=CN=C1C PI-11842 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 CCc1ccccc1C PI-36541 [2,0,0,0,0,0|0,0,0]=2 175 B9R1.15 CCc1nccnc1C PI-11841 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.15 CNC1=CC=CC=C1F PI-28236 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 CNC1=CC=CC=C1N PI-23401 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.15 CNC1=CC=CC=C1N PI-28564 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 COC1=CC=CC=C1Br PI-34200 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 COC1=CC=CC=C1F PI-12348 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 COC1=CC=CC=C1I PI-50209 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.15 COc1ccccc1S PI-21364 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 CSC1=CC=CC=C1F PI-11849 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 CSC1=CC=CC=C1O PI-20874 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 CSc1ccccc1I PI-13705 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.15 NCc1ccccc1Br PI-38543 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.15 NCc1ncccc1C PI-36263 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.15 NNc1ccccc1C PI-29808 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.15 OCc1ccccc1F PI-28537 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 OCc1ccccc1O PI-36548 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 SCc1ccccc1F PI-23494 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.2 BrCc1cccc(I)c1 PI-29628 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.2 BrCc1cccc(c1)Br PI-13393 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.2 C=Cc1cccc(c1)C PI-40767 [2,0,0,0,0,0|0,0,2]=4 210 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [2,0,0,0,0,0|0,0,0]=2 212 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.2 CCc1cccc(N)n1 PI-30318 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 CCc1ccnc(c1)N PI-30483 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.2 CNc1cccc(c1)F PI-29299 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 COc1cccc(c1)O PI-34658 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.2 CSc1cccc(c1)N PI-11908 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.2 NCc1cccc(c1)Br PI-21372 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.2 NCc1cccc(c1)Br PI-38545 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.2 NCc1cccc(c1)F PI-23480 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.2 NNc1cccc(c1)Br PI-29422 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 NNc1cccc(c1)C PI-29814 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.2 OCc1cccc(c1)C PI-38620 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.2 OCc1cccc(c1)Cl PI-11919 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.2 SCc1cccc(F)c1 PI-23495 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 Brc1ccc(N)c(N)c1 PI-34413 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 Brc1ccc(c(c1)N)F PI-21432 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 C1=CC(=C(C=C1Br)N)O PI-33346 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.69 C1=CC(=C(C=C1Cl)N)F PI-28267 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.69 C1=CC(=C(C=C1Cl)N)N PI-16272 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.69 C1=CC(=C(C=C1F)N)Cl PI-28546 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.69 C1=CC(=C(C=C1F)N)I PI-10621 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.69 C1=CC(=C(C=C1F)N)N PI-30535 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.69 C1=CC(=C(C=C1N)N)F PI-28702 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.69 C1=CC(=C(C=C1N)N)N PI-30777 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.69 CC1=C(C=C(C=N1)Br)N PI-40246 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [2,0,0,0,0,0|1,0,0]=3 296 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [2,0,0,0,0,0|1,0,0]=3 316 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.69 CC1=CC(=C(N=C1)Cl)N PI-30504 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.69 CC1=CN=C(C(=N1)C)C PI-11726 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.69 CC1=NC(=C(C=C1)Br)N PI-30104 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.69 CC1=NC(=C(C=C1)N)C PI-16694 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.69 CC1=NC(=C(C=C1)N)C PI-33783 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [2,0,0,0,0,0|1,0,0]=3 334 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.69 Cc1ccc(c(n1)C)Br PI-14419 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.69 Cc1ncc(c(c1)C)N PI-38589 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.69 Clc1ccc(c(c1)N)S PI-14245 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.69 Fc1ccc(c(c1)N)Br PI-10617 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.69 Fc1ccc(c(c1)N)F PI-16941 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.69 Fc1ccc(c(c1)N)O PI-15926 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.69 NC1=CC(Br)=CC=C1Cl PI-20602 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.69 NC1=CC=C(Cl)C(N)=C1 PI-11322 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.69 OC1=CC=C(N)C=C1N PI-32464 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.69 Oc1ccc(F)c(N)c1 PI-33926 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [2,0,0,0,0,0|2,0,0]=4 364 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.17 OCCSc1ccccc1Br PI-22561 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.41 COC1=CC=CC=C1CCN PI-31713 [1,1,0,0,0,0|0,0,0]=2 369 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [1,1,0,0,0,0|0,0,0]=2 373 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl PI-35238 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.605 CCCc1c(O)cccc1O PI-19109 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.605 NCCc1c(F)cccc1Cl PI-17329 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.24 CC1=CC(=CC=C1)CN=C=O PI-11438 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.157 CC1=CC(=CC=C1)NC(=S)N PI-24525 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.189 CCCC1=CC(=CC=C1)NN PI-29461 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.189 N#CCc1cccc(c1)OC PI-11344 [1,1,0,0,0,0|0,0,2]=4 394 B11R1.189 NCCc1cccc(OC)c1 PI-31712 [1,1,0,0,0,0|0,0,0]=2 395 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.8 CC1=CC(=C(C(=C1)OC)C)C PI-19293 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.37 CCC1=NC=C(N=C1CC)C PI-11729 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.37 COc1cc(I)ccc1OC PI-23242 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.37 COc1cc(N)ccc1OC PI-23186 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.37 COc1cc(O)ccc1OC PI-28261 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.72 C1=CC(=C(C(=C1F)CN)F)Cl PI-17450 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.72 CC1=C(C(=C(C=C1)Cl)CO)F PI-20101 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.72 CC1=C(C(=C(C=C1)F)CO)Cl PI-20100 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.72 NCc1c(F)ccc(c1Cl)F PI-20039 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [1,1,0,0,0,0|0,0,1]=3 414 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [1,1,0,0,0,0|1,0,1]=4 417 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.167 Cc1ccc(C)c(c1)B(O)O PI-33619 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.277 CC1=CC(=C(C=C1C)C#C)C PI-19475 [1,1,0,0,0,0|0,0,2]=4 423 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.280 CCC1=C(C=CC(=C1)C#N)N PI-15893 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.280 COC1=CC(=C(C=C1)Br)CBr PI-46496 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.280 COC1=CC(=C(C=C1)Br)CO PI-49402 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [1,1,0,0,0,0|2,0,0]=4 433 B13R1.3973 CC1=CC(=C(C(=C1C)CC#N)C)C PI-24113 [0,2,0,0,0,0|0,0,2]=4 434 B13R1.355 COC1=CC(=C(C=C1)OC)CC#N PI-23274 [0,2,0,0,0,0|0,0,2]=4 435 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [1,0,0,1,0,0|1,0,1]=4 436 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [1,0,0,1,0,0|1,0,0]=3 437 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [1,0,0,1,0,0|2,0,0]=4 439 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [1,0,0,1,0,0|0,0,0]=2 440 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,1]=4 441 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.20 C1CCc2ccccc2N1 PI-32264 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.20 C1CCc2cccnc2C1 PI-10313 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,1,0,0|0,0,2]=4 445 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|0,0,0]=2 446 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|0,0,0]=2 447 B11R2.106 C1CNC2=C1C(=CC=C2)Br PI-36066 [1,0,0,1,0,0|1,0,0]=3 448 B11R2.106 C1CNC2=C1C(=CC=C2)Cl PI-11092 [1,0,0,1,0,0|1,0,0]=3 449 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [1,0,0,1,0,0|0,0,2]=4 450 B11R2.106 CC1=C2CNCC2=CC=C1 PI-36193 [1,0,0,1,0,0|2,0,0]=4 451 B11R2.106 Cc1cccc2c1NCC2 PI-38356 [1,0,0,1,0,0|2,0,0]=4 452 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [1,0,0,1,0,0|1,0,0]=3 453 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [1,0,0,1,0,0|2,0,0]=4 454 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [1,0,0,1,0,0|2,0,0]=4 455 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [1,0,0,1,0,0|1,0,0]=3 456 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [1,0,0,1,0,0|0,0,2]=4 457 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [1,0,0,1,0,0|1,0,0]=3 459 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [1,0,0,1,0,0|1,0,0]=3 460 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [1,0,0,1,0,0|1,0,1]=4 462 B11R2.1 Cc1ncc2CNCCn12 PI-36107 [0,0,0,1,1,0|2,0,0]=4 463 B13R2.5139 CC1=C2C(=C(C=C1)C)SC(=N2)N PI-45313 [0,1,0,1,0,0|1,0,1]=4 464 B13R2.3729 Nc1ccc2CCNCCc2c1 PI-36423 [0,1,0,1,0,0|1,0,0]=3 465 B13R2.5179 C1CC(C2=C(C1)C=C(C=C2)Br)N PI-48311 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F PI-48157 [0,1,0,1,0,0|1,0,1]=4 467 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 PI-40565 [0,1,0,1,0,0|1,0,1]=4 468 B13R2.5179 O=C1NCCC2=C1C=CC(N)=C2 PI-38343 [0,1,0,1,0,0|1,0,1]=4 469 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 PI-32103 [0,1,0,1,0,0|1,0,1]=4 470 B13R2.162 O=C1CCCC2=C1C=C(C)C=C2 PI-40562 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)F PI-17758 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.3683 O=C1CCc2cc(Br)ccc2C1 PI-17751 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.369 C1CNCC2=CC(=C(C=C21)O)O PI-17078 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.27 CCc1c(C)c[nH]c1C PI-31899 [1,0,0,0,1,0|1,0,0]=3