0 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B3471 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 B1468 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 B1468 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 T7730 [0,0,0,0,0,0|0,1,0]=1 4 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 B4784 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 M7868 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 B0746 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 C4827 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.19 FC1=CC=C(C(Cl)(Cl)Cl)C=C1 F9608 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 F1006 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 A0075 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.19 OC1=NC=C(C(F)(F)F)C=C1 H7563 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(C)C1=CC=C(S)C=C1 I0763 [1,0,0,0,0,0|0,1,0]=2 15 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 C1062 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.13 CC(O)C1=NC=C(Br)C=C1 B13828 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 CN(C)C1=CC=C(Br)C=C1 B5435 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.13 CN(C)C1=CC=C(N)C=N1 D17190 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 D12728 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B5986 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.13 FC(F)C1=CC=C(Br)C=C1 B9306 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 N=C(N)C1=CC=C(O)C=C1 C7930 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H13795 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 OB(O)C1=CC=C(O)C=C1 H12503 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.28 CC(C)(C)C1=CC=NC=C1 T19209 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B1233 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B1233 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 B3198 [0,1,0,0,0,0|0,0,1]=2 32 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 T10179 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 T8310 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 T7599 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.6 CC(C)(C)C1=CC=C(CS)C=C1 B0466 [0,1,0,0,0,0|0,1,0]=2 36 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 B11351 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 T9061 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 T8054 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 T8053 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 C2973 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 C2973 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.23 CC(C)(C)C1=CC=C(N)C(Br)=C1 B10211 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.23 CC(C)(C)C1=CC=C(N)C(N)=C1 T7655 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.23 OC1=CC=C(C(F)(F)F)C=C1Cl C8868 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.55 CC(C)(C)C1=CC(N)=NN1 A13602 [0,0,0,0,1,0|3,0,0]=4 46 B10R1.55 CC(C)(C)C1=CSC(N)=N1 A7424 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.55 CC(C)(C)C1=CSC(S)=N1 T7959 [0,0,0,0,1,0|2,1,0]=4 48 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 T8393 [0,0,0,0,0,1|1,0,0]=2 49 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 T2228 [0,0,0,0,0,1|3,0,0]=4 50 B12R1.106 OC1=CC=C(SC(F)(F)F)C=C1 T0938 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.1 BrCC1=CC=C(Br)C=C1 B12509 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 C(=O)C1=CC=C(O)C=C1 H0254 [2,0,0,0,0,0|1,0,1]=4 53 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.1 CCC1=CC=C(Br)C=C1 B8398 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.1 CNC1=CC=C(Br)C=C1 B8439 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 CNC1=CC=C(N)C=C1 M8801 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 COC1=CC=C(F)C=C1 F0756 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 COC1=CC=C(O)C=C1 M0306 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.1 COC1=CC=C(O)C=C1 M0306 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.1 COC1=CC=C(S)C=C1 M0764 [2,0,0,0,0,0|1,1,0]=4 62 B9R1.1 COC1=NC=C(O)C=C1 H14190 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.1 CSC1=CC=C(C)C=C1 M3899 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 CSC1=CC=C(F)C=C1 F3886 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 ClC1=CC=C(CBr)C=C1 C9247 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 ClCC1=CC=C(Br)C=C1 B4168 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 FC1=CC=C(CBr)C=C1 F8550 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.1 FC1=CC=C(CCl)C=C1 F5018 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.1 FC1=CC=C(CS)C=C1 F3880 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.1 NCC1=CC=C(Br)C=C1 B9996 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.1 NCC1=CC=C(O)C=C1 H9189 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.1 OCC1=CC=C(Br)C=C1 B4308 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.1 OCC1=CC=C(F)C=C1 F11143 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.1 SCC1=CC=C(Br)C=C1 B9153 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D0969 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 B9633 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 B9674 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br B3803 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl H4710 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.166 CC(=O)C1=CC=C(O)C=C1F F2843 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.166 C[S+](C)C1=CC=C(O)C=C1O D9301 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.87 CC(C)(C)C1=CC=CC=C1N T17716 [1,1,0,0,0,0|0,0,0]=2 91 B11R1.155 CC(C)(C)C1=CC=CC(Br)=C1 B3472 [1,1,0,0,0,0|0,0,0]=2 92 B11R1.45 CC(C)(C)C1=CC=C(C#N)S1 B7688 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.4 COC1=CC=C(C[Si](C)(C)C)C=C1 M16620 [0,1,0,0,0,1|0,1,0]=3 94 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 T7957 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 T8108 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 T8658 [0,2,0,0,0,0|0,1,0]=3 97 B13R1.140 [C-]#[N+]CC1=CC=C(C(C)(C)C)C=C1 T7958 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.187 CCC(C)(C)C1=CC=C(CCl)C=C1 C8879 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 B5383 [0,2,0,0,0,0|0,0,0]=2 100 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 T13691 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 T16008 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 T8750 [0,2,0,0,0,0|0,1,0]=3 103 B13R1.338 C[C@@H](N)C1=CC=C(C(C)(C)C)C=C1 B11530 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 B11529 [0,2,0,0,0,0|1,0,0]=3 105 B13R1.522 CC(C)(C(=O)O)C1=CC=C(Br)C=C1 M2452 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.522 CC(C)(C(=O)O)C1=CC=C(Cl)C=C1 C12708 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.7922 CC1=CC(C(C)(C)C)=CC(C)=C1N T8107 [0,2,0,0,0,0|1,0,0]=3 108 B11R2.34 ClC1=CC=C([C@H]2CO2)C=C1 C19012 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 A19241 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [1,0,0,0,0,1|1,0,1]=4 111 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [1,0,0,0,0,1|1,0,0]=3