0 B9R1.69 BrC1=CN=C(Br)C(I)=C1 100728 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.69 BrC1=CN=C(I)C(Br)=C1 101631 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 ClC1=CC(Cl)=NC=C1Br 102389 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 ClC1=CC(Cl)=NC=C1I 100067 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 ClC1=CC=C(Cl)C(I)=N1 100065 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 ClC1=CC=C(I)C(Cl)=N1 100069 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 ClC1=CN=C(Cl)C=C1I 100087 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 ClC1=CN=C(I)C(Br)=C1 100741 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.69 ClC1=NC=C(Br)C(I)=C1 100736 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 FC1=CC(Cl)=C(F)N=C1 102002 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.69 FC1=CC(Cl)=C(I)N=C1 102074 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.69 FC1=CC(Cl)=CN=C1Cl 102064 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.69 FC1=CC(I)=CC=C1I 102040 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.69 FC1=CC(I)=CN=C1F 101041 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.69 FC1=CN=C(F)C(F)=C1 102010 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.69 FC1=NC=C(Cl)C=C1Cl 102084 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.69 NC1=C(S)C=CC(Cl)=C1 519 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.69 O=C1C=C(Cl)NC=C1Cl 100085 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.69 O=C1NC=C(Cl)C=C1F 101039 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.3 ClC1=CC=C(I)N=C1 101633 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.3 FC1=CN=C(F)C=C1 102007 [1,0,0,0,0,0|1,1,1]=4 23 B8R1.4 BrC1=CC(I)=CN=C1 101632 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.4 ClC1=CC(I)=CC=N1 100082 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 FC1=CN=CC(F)=C1 101992 [1,0,0,0,0,0|1,1,1]=4 27 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 NC1=CC(F)=CC=C1 20479 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.4 NC1=CC=CC(N)=C1 21487 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.5 BrC1=CC=CN=C1I 101630 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.5 CC1=CC=CN=C1O 20633 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.5 ClC1=CC=CN=C1I 101634 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.5 ClC1=NC=CC=C1I 100075 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.5 FC1=C(I)C=CC=C1 102030 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.5 FC1=CC=CN=C1Cl 102016 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.5 FC1=CC=CN=C1F 102003 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.5 FC1=NC=CC=C1Cl 101990 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.5 FC1=NC=CC=C1I 102077 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.5 NC1=CC=CC=C1N 22078 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 NC1=CC=CN=C1Cl 20953 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.22 ClC1=CC(Cl)=C(Cl)C(Cl)=C1 101162 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.22 ClC1=CC(Cl)=C(I)C(Cl)=C1 101076 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.25 NNC1=NC=C(Cl)C=C1F 102066 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [0,1,0,0,0,0|2,1,0]=4 47 B10R1.118 CC1=CC(Cl)=C(C)C=C1Cl 11456 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.118 ClC1=CC(Cl)=C(Br)C=C1Br 101326 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.118 ClC1=CC(Cl)=C(Br)N=C1Br 100064 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.118 ClC1=CC(Cl)=C(I)N=C1Cl 101046 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.118 FC1=CC(Cl)=C(Br)N=C1Br 101043 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.118 FC1=CC(Cl)=C(F)N=C1F 102018 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.118 FC1=CC(Cl)=C(I)N=C1Br 101045 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.118 FC1=CC(Cl)=C(I)N=C1Cl 101047 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.118 FC1=CC(Cl)=C(I)N=C1F 101997 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.118 FC1=CC(Cl)=C(I)N=C1I 101052 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.118 FC1=NC(F)=C(Cl)C=C1I 100241 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.118 FC1=NC(I)=C(Cl)C=C1Cl 102071 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.118 N1C(=O)C(C)=CN(C)C1=O 20529 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.119 ClC1=C(Br)C(Cl)=C(Br)N=C1 100078 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.119 ClC1=CN=C(Cl)C(Cl)=C1I 101048 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.119 FC1=C(Cl)C(Br)=CC=C1Cl 100893 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.119 FC1=C(I)C(Cl)=CN=C1Br 101054 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.119 FC1=C(I)C(Cl)=CN=C1Cl 101044 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.119 FC1=C(I)C(Cl)=CN=C1I 101056 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.119 FC1=NC=C(Cl)C(I)=C1Cl 101060 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.119 FC1=NC=C(Cl)C(I)=C1F 101050 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.3 IC1=CC=CC=C1 102614 [2,0,0,0,0,0|1,1,0]=4 70 B7R1.3 O=C1CSC=CN1 13338 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [1,1,0,0,0,0|1,1,0]=4 75 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.3 ClC1=CC=CC(Cl)=C1I 101146 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.3 ClC1=CN=CC(Cl)=C1Br 100081 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.3 ClC1=CN=CC(Cl)=C1I 100079 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.3 FC1=C(Cl)C(Cl)=CN=C1 101991 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.3 FC1=C(F)C(Cl)=CN=C1 101994 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.3 FC1=C(I)C(Cl)=CN=C1 101049 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 101956 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.34 ClC1=CC(Br)=CC(Br)=C1 101137 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 N#CC1=CC=CNC1=O 20435 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.494 CC1=CC=C(O)C(=O)C(O)=C1 19617 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 20382 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=N1 100667 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [0,2,0,0,0,0|1,1,0]=4 95 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 100084 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.278 CC1=C(O)C=CC(N=O)=C1O 897 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 15492 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 101186 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 100013 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F 100049 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 101157 [0,2,0,0,0,0|1,0,1]=4 103 B9R1.11 NNC(=O)C1=CC=CO1 517 [0,0,1,1,0,0|2,0,0]=4