0 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.15 C#CC1=CC=CC=C1O 222906 [1,0,0,0,0,0|1,0,2]=4 3 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.15 NCC1=CC=CC=C1Cl 209763 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.53 CC(C)C1=C(CO)C=CC=C1 093926 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.87 CC(C)(C)C1=C(S)C=CC=C1 104816 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.87 CC(C)(C)C1=CC=CC=C1Br 075662 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.87 CC(C)(C)C1=CC=CC=C1I 075658 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.87 CC(F)(F)C1=C(F)C=CC=C1 101870 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.87 CC(F)(F)C1=C(I)C=CC=C1 035832 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=C1 033411 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.156 CC(O)C1=C(F)C=CC=C1F 033750 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 070200 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Br 038139 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Cl 062740 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1Br 062785 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.159 NC(=O)C1=C(N)C(Cl)=CC=C1 094026 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.159 O=C(Cl)C1=C(Br)C(F)=CC=C1 062706 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.159 O=C(Cl)C1=C(Cl)C(F)=CC=C1 038156 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.159 O=[N+]([O-])C1=C(I)C(Br)=CC=C1 223317 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 062790 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.166 CS(=O)C1=C(F)C=C(F)C=C1 064546 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021801 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021821 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 039336 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Br 467171 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl 011135 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 062655 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 038129 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.166 O=C(Cl)C1=C(F)C=C(I)C=C1 103809 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.166 O=C(Cl)C1=CC=C(F)C=C1Br 038137 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.167 CC(C)C1=C(Br)C=CC(Br)=C1 037576 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.167 CC(C)C1=C(Cl)C=CC(Br)=C1 037575 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.167 CC1=CC(C(=O)Cl)=C(Br)C=C1 062787 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.167 CC1=CC(C(N)=O)=C(Cl)C=C1 094064 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.167 CC1=CC=C(Cl)C(C(=O)Cl)=C1 062748 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.167 NC(=O)C1=C(Cl)C=CC(I)=C1 104006 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 104007 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(I)=C1 038159 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 246343 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.167 O=C(Cl)C1=C(I)C=CC(Cl)=C1 103977 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F 038143 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.222 COC(=O)C1=NC=CC=C1N 066881 [0,1,0,0,0,0|1,0,0]=2 45 B11R2.1 BrC1=NNC2=C1C=CC=C2 079923 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.1 [O-][N+]1=CNC2=CC=CC=C21 180092 [0,0,0,1,0,0|1,0,2]=4 47 B11R1.86 CC(=O)NC1=[N+]([O-])C=CC=C1 180201 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|0,0,1]=3 51 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.2 COC1=CC=CC(F)=C1S 043182 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.20 CCC1=CC=CC=C1CBr 246564 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 COC1=CC=C(F)C=C1I 075745 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 COC1=CC=C(S)C=C1C 038027 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.25 COC1=CC=C(S)C=C1F 023073 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.30 COC1=CC(C)=CC=C1I 038666 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.30 NC1=C(C=O)C=C(Cl)C=N1 046567 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.245 COC1=C(I)C=CC=C1C 038816 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 060363 [0,1,0,0,0,1|1,0,0]=3 73 B12R1.127 CC(=O)NC1=C(F)C=CC(F)=C1 034738 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.127 CC(=O)NC1=CC(C)=CC=[N+]1[O-] 180321 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.127 O=C(Cl)CC1=CC(F)=CC=C1F 014716 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.233 NC(=O)NC1=C(F)C=C(Br)C=C1 432428 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 505690 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.46 CC1=CC=C([IH2]=O)C(C(=O)O)=C1 182113 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 069431 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.437 COC1=CC=CC(F)=C1C(N)=O 033752 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.126 CC1=C(S(C)(=O)=O)C=CC(F)=C1 023630 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.128 CC(C)(C)C1=CC(Br)=CC=C1N 075669 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.128 CC1=CC(S(C)(=O)=O)=C(C)C=C1 019359 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.1010 CC1=CC=CC(C)=C1S(C)(=O)=O 019360 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.894 NC1=C(Cl)C=CC(Cl)=C1[N+](=O)[O-] 180811 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.894 O=C(O)C1=C(Br)C(F)=CC=C1F 043160 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.894 O=C(O)C1=C(F)C=CC(I)=C1F 037594 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(C)=C1 102221 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(N)=N1 103279 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 037586 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.3441 CNC(=O)C1=C(Cl)C=CC=C1Cl 103502 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.3441 CNC(=O)C1=C(F)C=CC=C1F 102156 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.24 CNC(=O)C1=C(Br)C(C)=CC=C1 102906 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.24 CNC(=O)C1=C(C)C(Br)=CC=C1 104110 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.511 CC1=C(Cl)C(C(=O)O)=CC(Cl)=C1 037653 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.511 CC1=C(F)C(C(=O)O)=CC(F)=C1 037159 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.511 CC1=CC(C(=O)O)=C(Cl)C(C)=C1 037655 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.511 O=C(O)C1=C(Cl)C(Cl)=CC(F)=C1 037633 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.893 CC(=O)C1=C(O)C(F)=C(F)C=C1 046461 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F 037605 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F 070698 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.232 CC1=C(C(=O)O)C=C(Br)C(F)=C1 097663 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 037615 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1Br 070827 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.232 CC1=CC(Cl)=C(C)C=C1C(=O)O 037482 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.232 O=C(O)C1=C(Br)C=C(Cl)C(I)=C1 038739 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(Cl)=C1 069702 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.1703 CNC(=O)C1=C(Br)C=C(Cl)C=C1 103535 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.1703 CNC(=O)C1=C(F)C=C(C)C=C1 104543 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.1703 CNC(=O)C1=C(F)C=C(F)C=C1 102155 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br 218279 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.1703 C\C(=N\O)C1=CC=C(Cl)C=C1Cl 075984 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.354 CNC(=O)C1=C(Cl)C=CC(F)=C1 104829 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.354 CNC(=O)C1=C(F)C=CC(F)=C1 102230 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.354 CNC(=O)C1=C(I)C=CC(C)=C1 103462 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.354 CNC(=O)C1=CC(Cl)=CC=C1N 061672 [0,2,0,0,0,0|0,0,0]=2 120 B12R1.354 COC(=O)C1=C(I)C=CC(I)=C1 098922 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.354 COC(=O)C1=CC(C)=CC=C1F 228918 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.354 C\C(=N/O)C1=C(F)C=CC(F)=C1 076002 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.453 CCC1=CC(C(=O)O)=C(Cl)C=C1 044222 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl 079248 [0,2,0,0,0,0|1,0,0]=3 125 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 231234 [0,0,0,1,0,1|2,0,0]=4 126 B12R2.202 CC1=NC2=C(Cl)C=CC=C2S1 226864 [0,0,0,1,0,1|1,1,0]=4 127 B12R2.1081 CC1CCNC2=C1C=CC=C2 320047 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 182043 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 092771 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.203 NC1=NNC2=C1C(I)=CC=C2 046564 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.203 OC1=NNC2=CC=CC(F)=C21 075034 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.1 O=CC1=CNC2=CC=CN=C12 208968 [0,1,0,1,0,0|1,0,1]=4