0 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 C1=CC(=C(C=C1Br)F)C(F)F PI-21640 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.166 C1=CC(=C(C=C1F)Br)C(F)F PI-21639 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] PI-16979 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 PI-44124 [0,0,0,0,0,0|0,0,4]=4 34 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,0,0,0,0,0|1,0,1]=2 39 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,0,0|0,0,0]=1 81 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.25 BrCc1ccc(cc1F)F PI-28304 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.25 C1=CC(=C(C=C1Br)F)CBr PI-11844 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl PI-33404 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.25 C1=CC(=C(C=C1F)Br)CBr PI-28684 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr PI-20076 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.25 C1=CC(=C(C=C1F)I)CBr PI-33648 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,0,0,0,0,0|2,1,0]=4 133 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.25 Cc1ccc(c(n1)Cl)CO PI-36936 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.25 ClCc1ccc(cc1Cl)F PI-20080 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.25 NCc1ccc(cc1F)F PI-28783 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,0,0,0,0,0|1,0,1]=3 149 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.25 OCc1ccc(F)cc1F PI-28645 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.25 SCc1ccc(Br)cc1F PI-21443 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,0,0,0,0,0|0,1,0]=2 165 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,0,0,0,0,0|1,0,0]=2 169 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.61 FC(F)c1ccccc1Br PI-21634 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.61 OB(c1ccccc1O)O PI-37992 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])CO PI-26837 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.126 CC1=CC(=C(C=C1)C(F)(F)F)Cl PI-34397 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.126 Cc1ccc(c(C)c1)S(=O)(=O)C PI-23934 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.126 O=S(C1=CC=C(C)C=C1O)(O)=O PI-40326 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,1,0,0,0,0|1,0,1]=3 186 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,1,0,0,0,0|1,0,1]=3 187 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O PI-19061 [0,1,0,0,0,0|0,0,0]=1 188 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C PI-49847 [0,1,0,0,0,0|0,0,1]=2 189 B12R1.232 [O-][N+](=O)c1cc(Cl)c(cc1O)C PI-29873 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,1,0,0,0,0|1,0,1]=3 193 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O PI-29660 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C PI-29186 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-11028 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-30377 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O PI-19639 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O PI-15821 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(CCl)O PI-42326 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O PI-49808 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.1703 C1=CC(=C(C=C1F)F)[C@@H](CCl)O PI-49821 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,1,0,0,0,0|1,0,1]=3 210 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.1703 ClC1=CC=C([C@H](O)CCl)C(Cl)=C1 PI-42331 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,0,0,1,0,0|2,0,1]=4 215 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,0,0,1,0,0|2,0,0]=3 216 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,0,0,1,0,0|3,0,0]=4 217 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,0,0,1,0,0|2,0,1]=4 218 B10R1.59 CC1=NN(C(=C1)N)C(C)C PI-40298 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [2,0,0,0,0,0|0,0,2]=4 231 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.1 CCc1ccc(C)cc1 PI-36542 [2,0,0,0,0,0|0,0,0]=2 237 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.1 CNc1ccc(cc1)Br PI-21585 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 COc1ccc(cc1)Br PI-34196 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.1 COc1ccc(cc1)I PI-33808 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.1 NCc1ccc(F)cc1 PI-11985 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.1 NCc1ccc(cc1)Br PI-20544 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 NCc1ccc(cc1)Br PI-38542 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.1 NNc1ccc(C)cc1 PI-13126 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.1 OCc1ccc(S)cc1 PI-35674 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.1 OCc1ccc(cc1)I PI-33685 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.1 OCc1ccc(cc1)O PI-29788 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.6 CC(C)c1ccncc1 PI-16693 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.6 CC(c1ccccn1)N PI-38576 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.6 CC(c1ccncc1)N PI-38572 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.6 CN(C)c1ccncc1 PI-16263 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|0,1,0]=3 274 B9R1.15 BrCc1ccccc1Br PI-11809 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.15 BrCc1ccccc1I PI-29573 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [2,0,0,0,0,0|1,0,0]=3 290 B9R1.15 CCC1=CC=CC=C1I PI-19242 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.15 CCc1ccccc1C PI-36541 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.15 CNC1=CC=CC=C1F PI-28236 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.15 CNC1=CC=CC=C1N PI-23401 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.15 CNC1=CC=CC=C1N PI-28564 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.15 COC1=CC=CC=C1Br PI-34200 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.15 COC1=CC=CC=C1F PI-12348 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.15 COC1=CC=CC=C1I PI-50209 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.15 COc1ccccc1S PI-21364 [2,0,0,0,0,0|1,1,0]=4 302 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.15 CSC1=CC=CC=C1F PI-11849 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.15 CSC1=CC=CC=C1O PI-20874 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.15 CSc1ccccc1I PI-13705 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.15 N#Cc1ccccc1O PI-11836 [2,0,0,0,0,0|1,0,1]=4 308 B9R1.15 NCc1ccccc1Br PI-38543 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.15 OCc1ccccc1F PI-28537 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.15 OCc1ccccc1O PI-36548 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.15 SCc1ccccc1F PI-23494 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [2,0,0,0,0,0|0,0,0]=2 339 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [2,0,0,0,0,0|0,1,0]=3 340 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [2,0,0,0,0,0|1,0,0]=3 345 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [2,0,0,0,0,0|1,1,0]=4 358 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [2,0,0,0,0,0|1,1,0]=4 362 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [2,0,0,0,0,0|1,1,0]=4 363 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [2,0,0,0,0,0|1,1,0]=4 378 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [2,0,0,0,0,0|1,0,0]=3 394 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [2,0,0,0,0,0|2,0,0]=4 397 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [1,1,0,0,0,0|0,0,1]=3 399 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [1,1,0,0,0,0|0,0,0]=2 400 B11R1.3 CC(C)C1=NC=C(C=C1)C=O PI-44044 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [1,1,0,0,0,0|1,0,1]=4 405 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [1,1,0,0,0,0|0,0,0]=2 423 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F PI-28686 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [1,1,0,0,0,0|0,0,0]=2 427 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.21 CC1=C(C=CC(=C1)N(C)C)Br PI-46966 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.21 CC1=NC=C(N=C1C)C(C)C PI-11733 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.37 COc1cc(I)ccc1OC PI-23242 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.37 COc1cc(N)ccc1OC PI-23186 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.37 COc1cc(O)ccc1OC PI-28261 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.279 C1=CC(=C(C=C1CO)Br)CO PI-48915 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.279 COc1ccc(C=O)c(O)c1 PI-31262 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [1,1,0,0,0,0|1,1,0]=4 461 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.464 BrCc1c(C)cc(cc1C)C PI-32532 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.464 CC1=CC(=C(C(=C1)C)CCl)C PI-11621 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.464 CC1=CC(=C(C(=C1)C)CO)C PI-27578 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.464 NCc1c(C)cc(cc1C)C PI-38580 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.53 COc1ccccc1C(=O)C PI-12757 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.53 COc1nccnc1C(C)C PI-11044 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.53 O=Cc1ccccc1N(C)C PI-23369 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)O PI-16970 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.87 CC(C)(C1=CC=CC=C1Br)O PI-48990 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.87 C[Si](C)(C)C1=CC=CC=C1O PI-50096 [1,1,0,0,0,0|0,1,0]=3 474 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.159 CN(C)C1=C(C(=CC=C1)Cl)Cl PI-21030 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [1,1,0,0,0,0|0,0,0]=2 486 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [1,1,0,0,0,0|1,0,1]=4 490 B13R1.99 CC(=O)C1=C(C=C(C=C1)OC)OC PI-12349 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.2065 COC(=O)c1ccc(C)cc1OC PI-24691 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.2398 COc1cc(C)c(C)cc1C(=O)C PI-23873 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.651 CC1=CC(=C(C=C1N=O)C(C)C)O PI-29374 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.95 COc1ccc(C(=O)OC)c(O)c1 PI-10050 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.428 CC(=O)C1=C(C=C(C=C1O)OC)O PI-29902 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.3096 COc1ccc(C(C)=O)c(O)c1O PI-29869 [0,2,0,0,0,0|1,0,1]=4 497 B13R1.4656 CC1=CC(=C(C(=C1)O)C(=O)OC)O PI-19187 [0,2,0,0,0,0|1,0,1]=4 498 B11R1.424 O=CC1=C(C)C=CCC1(C)C PI-27092 [0,0,1,1,0,0|0,0,2]=4 499 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [1,0,0,1,0,0|1,0,0]=3 500 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [1,0,0,1,0,0|2,0,0]=4 504 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [1,0,0,1,0,0|2,0,0]=4 506 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [1,0,0,1,0,0|2,0,0]=4 508 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|1,0,1]=4 509 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|1,0,1]=4 510 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.1 NC1CCc2ccccc12 PI-24340 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [1,0,0,1,0,0|2,0,0]=4 514 B13R2.2130 COc1ccc2c(c1)CCC2N PI-38852 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.35 Cc1csc(n1)C(C)C PI-11128 [1,0,0,0,1,0|2,0,0]=4 516 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,0,0,0,0,1|1,0,0]=3 517 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [1,0,0,0,0,1|1,0,0]=3 518 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [1,0,0,0,0,1|1,0,0]=3 519 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [1,0,0,0,0,1|2,0,0]=4 520 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [1,0,0,0,0,1|1,0,1]=4 521 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [1,0,0,0,0,1|1,0,0]=3 522 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)C PI-39445 [0,0,0,0,1,1|2,0,0]=4 523 B11R1.74 CC1=CC(=CC(=C1)N(C)C)C PI-27629 [0,0,0,0,1,1|2,0,0]=4 524 B11R1.74 CC1=CC(=NC(=N1)C(C)C)Cl PI-47330 [0,0,0,0,1,1|2,0,0]=4 525 B11R1.74 OC1=NC(C(C)C)=NC(C)=C1 PI-41597 [0,0,0,0,1,1|1,0,0]=3