0 B10R1.20 BrCC1=C(CBr)C=CC=C1 050292 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 C=CC1=CC=CC=C1C=C 245965 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.20 CCC1=C(CO)C=CC=C1 456420 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.20 CCC1=C(NN)C=CC=C1 008798 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 CCC1=C(SC)C=CC=C1 094763 [0,0,0,0,0,0|1,1,0]=2 5 B10R1.20 CCC1=CC=CC=C1C=O 092103 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.20 CCC1=NC=CN=C1OC 002748 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.20 CCC1=NC=CN=C1SC 002752 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.20 CNC1=C(OC)C=CC=C1 009652 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.20 COC1=C(CN)C=CC=C1 008875 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.20 COC1=C(CO)C=CC=C1 033710 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.20 COC1=C(SC)C=CC=C1 008048 [0,0,0,0,0,0|0,1,0]=1 12 B10R1.20 COC1=CC=CC=C1C#N 033909 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.20 COC1=CC=CC=C1C=O 242823 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.20 COC1=CC=CC=C1CN 079872 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.20 COC1=CC=CC=C1OC 079036 [0,0,0,0,0,0|0,0,0]=0 16 B10R1.20 CSC1=C(C=O)C=CC=C1 103584 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.20 N#CC1=CC=CC=C1C#N 079485 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.20 N#CC1=CC=CC=C1C=O 078559 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.20 N#CC1=CC=CC=C1CBr 222020 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.20 O=CC1=C(C=O)C=CC=C1 037868 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.20 OCC1=CC=CC=C1CO 050846 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 BrCC1=C(Br)C=CC=C1 001366 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 BrCC1=C(I)C=CC=C1 044924 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 C#CC1=C(F)C=CC=C1 008806 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.15 C(=O)C1=C(C)C=CC=C1 001389 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 C=CC1=C(Br)C=CC=C1 003018 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.15 C=CC1=CC=CC=C1Cl 003707 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.15 CC1=C(N=O)C=CC=C1 099261 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 CC1=CC=CC=C1CBr 227715 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.15 CC1=CC=CC=C1CN 227781 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 CC1=CC=CN=C1C#N 019458 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 CC1=CC=CN=C1CCl 234089 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 CC1=CC=CN=C1CN 020197 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.15 CC1=CC=CN=C1NN 061270 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 CC1=CC=NC=C1C#N 040036 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 CCC1=C(Br)C=CC=C1 018276 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 CCC1=C(Cl)C=CC=C1 018372 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 CCC1=C(I)C=CC=C1 001197 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.15 CCC1=C(N)C=CC=C1 043275 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 CCC1=C(S)C=CC=C1 001289 [1,0,0,0,0,0|1,1,0]=3 41 B9R1.15 CCC1=CC=CC=C1O 240992 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.15 CCC1=CC=NC=C1C 188677 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.15 CCC1=[N+]([O-])C=CC=C1 032650 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.15 CC[N+]1=C(Br)C=CC=C1 008541 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 CNC1=C(Cl)C=CC=C1 009648 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.15 CNC1=C(F)C=CC=C1 019280 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.15 CNC1=CC=CC=C1N 078664 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.15 CNC1=CC=CC=C1N 220032 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.15 COC1=C(Br)C=CC=C1 002965 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.15 COC1=C(Br)C=NC=C1 210035 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.15 COC1=C(F)C=CC=C1 002694 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.15 COC1=C(I)C=CC=C1 001302 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.15 COC1=C(N)C=CC=C1 043317 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.15 COC1=C(N)C=NC=C1 076885 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 COC1=C(S)C=CC=C1 003589 [1,0,0,0,0,0|0,1,0]=2 56 B9R1.15 COC1=CC=CC=C1C 242932 [1,0,0,0,0,0|0,0,0]=1 57 B9R1.15 COC1=CC=CC=C1O 241127 [1,0,0,0,0,0|0,0,0]=1 58 B9R1.15 COC1=CC=CN=C1Br 037013 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 COC1=CC=CN=C1N 064878 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 COC1=CC=CN=C1O 219308 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.15 COC1=NC=CC=C1F 220022 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 COC1=NC=CC=C1I 036267 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 CSC1=C(Br)C=CC=C1 001732 [1,0,0,0,0,0|1,1,0]=3 64 B9R1.15 CSC1=C(Cl)C=CC=C1 003552 [1,0,0,0,0,0|1,1,0]=3 65 B9R1.15 CSC1=C(F)C=CC=C1 019279 [1,0,0,0,0,0|1,1,0]=3 66 B9R1.15 CSC1=C(I)C=CC=C1 003738 [1,0,0,0,0,0|1,1,0]=3 67 B9R1.15 CSC1=C(N)C=CC=C1 002979 [1,0,0,0,0,0|1,1,0]=3 68 B9R1.15 CSC1=C(O)C=CC=C1 001770 [1,0,0,0,0,0|0,1,0]=2 69 B9R1.15 ClC1=C(CBr)C=CC=C1 001008 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 ClCC1=CC=CC=C1Cl 088365 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 FC1=C(CBr)C=CC=C1 006200 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 FC1=C(CCl)C=CC=C1 001422 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 FC1=C(CS)C=CC=C1 024341 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 N#CC1=C(Br)C=CC=C1 001053 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 N#CC1=C(Cl)C=CC=C1 094274 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 N#CC1=C(F)C=CC=C1 001656 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 N#CC1=C(I)C=CC=C1 147900 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 N#CC1=C(N)C=CC=C1 023851 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 N#CC1=C(O)C=CC=C1 023900 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 NC1=CC=CC=C1CO 036679 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 NCC1=C(Cl)C=CC=C1 008868 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.15 NCC1=C(F)C=CC=C1 006197 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.15 NCC1=C(O)C=CC=C1 023454 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 NCC1=CC=CC=C1Br 065390 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.15 NCC1=CC=CC=C1N 076007 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 NNC1=C(F)C=CC=C1 006332 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 NNC1=CC=CC=C1Br 061122 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.15 NNC1=CC=CC=C1Br 369917 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 NNC1=CC=CC=C1F 047697 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 O=CC1=C(Br)C=CC=C1 109700 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 O=CC1=C(Cl)C=CC=C1 118500 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 O=CC1=C(F)C=CC=C1 001671 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 O=CC1=C(I)C=CC=C1 024292 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 O=CC1=C(O)C=CC=C1 169200 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.15 OC1=C(CBr)N=CC=C1 431436 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 OCC1=C(Cl)C=CC=C1 001375 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 OCC1=C(F)C=CC=C1 006196 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 OCC1=C(S)C=CC=C1 001239 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.15 OCC1=CC=CC=C1I 093337 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 OCC1=CC=CC=C1O 078974 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 OCC1=NC=CC=C1O 092366 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 SCC1=C(Br)C=CC=C1 024350 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.37 CCC1=C(C=O)C=CC(Br)=C1 069430 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.37 CCC1=C(OC)C=CC(F)=C1 098652 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.37 COC1=C(C#N)C=CC(F)=C1 013332 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.37 COC1=C(C=O)C=C(C)C=C1 036144 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.37 COC1=C(C=O)C=CC(F)=C1 013323 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.37 COC1=C(CO)C=C(F)C=C1 013338 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.37 COC1=C(CO)C=CC(C)=C1 022252 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.37 COC1=C(CO)C=CC(F)=C1 013336 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.37 COC1=C(OC)C=C(Br)C=C1 001141 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.37 COC1=C(OC)C=C(F)C=C1 004913 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.37 COC1=C(OC)C=C(N)C=C1 024561 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.37 COC1=C(OC)C=C(O)C=C1 068071 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.37 COC1=C(OC)C=C(S)C=C1 003876 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.37 COC1=C([N+]#N)C=C(Cl)C=C1 099608 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.37 COC1=CC(Br)=CC=C1C#N 069408 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.37 COC1=CC(Br)=CC=C1C=O 078674 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.37 COC1=CC(N)=CC=C1C#N 091790 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.37 COC1=CC(O)=CC=C1C=O 092410 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.37 COC1=CC=C(Br)C=C1C=O 011097 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.37 COC1=CC=C(Br)C=C1CO 216898 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.37 COC1=CC=C(Cl)C=C1C#N 068067 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.37 COC1=CC=C(Cl)C=C1C=O 033727 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.37 COC1=CC=C(F)C=C1C=O 013325 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.37 COC1=CC=C(I)C=C1OC 024675 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.41 CCC1=C(N=C=O)C=CC=C1 046947 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.41 CCC1=C(N=C=S)C=CC=C1 008970 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.41 CCOC1=C(C#N)C=CC=C1 018661 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.41 CCOC1=C(C=O)C=CC=C1 420802 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.41 CCOC1=CC=CC=C1CN 075294 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.41 CCOC1=CC=CC=C1OC 329273 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.41 COC1=C(CC#N)C=CC=C1 358258 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.41 COC1=C(N=C=O)C=CC=C1 046951 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.41 COC1=C(N=C=S)C=CC=C1 001276 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.41 COC1=CC=CC=C1CCN 040168 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.41 CSC1=C(N=C=S)C=CC=C1 009542 [0,1,0,0,0,0|1,1,1]=4 138 B11R1.41 CSC1=CC=CC=C1N=C=O 098606 [0,1,0,0,0,0|1,1,1]=4 139 B11R1.53 C(=O)C1=CC=CC=C1C(C)C 022363 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.53 CCC1=C([N+](=O)[O-])C=CC=C1 099287 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.53 CCC1=CC=CC=C1B(O)O 045285 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.53 CCC1=CC=CC=C1C(=O)O 065724 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.53 CN(C)C1=C(C#N)C=CC=C1 033396 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.53 CN(C)C1=C(CN)C=CC=C1 023458 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.53 CNC1=C(C(N)=O)C=CC=C1 018817 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.53 CNC1=CC=CC=C1C(=O)O 329951 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] 220361 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.53 COC1=C(B(O)O)C=CC=C1 011001 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 153200 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.53 COC1=C(C(C)=O)C=CC=C1 046207 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.53 COC1=C(C(C)O)C=CC=C1 018798 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.53 COC1=C(C(N)=S)C=CC=C1 021333 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 049669 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.53 COC1=CC=CC=C1C(=O)O 094935 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.53 COC1=CC=CC=C1C(N)=O 018768 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.53 COC1=CC=CC=C1[N+](=O)[O-] 466641 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] 068541 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.53 COC1=NC=CC=C1B(O)O 016262 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.53 COC1=NC=CC=C1C(=O)O 009800 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] 093632 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.53 CSC1=C(B(O)O)C=CC=C1 045298 [0,1,0,0,0,0|2,1,0]=4 162 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 002628 [0,1,0,0,0,0|2,1,0]=4 163 B11R1.265 COC1=C(C#N)C(=O)NC=C1 068428 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.265 COC1=C(C#N)C(N)=NC=C1 217480 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.265 COC1=C(C=O)C(F)=CC=C1 013017 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.265 COC1=C(CN)C(F)=CC=C1 034739 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.265 COC1=C(OC)C(Br)=CC=C1 210997 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.265 COC1=CC=CC(Cl)=C1C=O 075244 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.265 COC1=CC=CC(F)=C1C#N 006266 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.265 COC1=CC=CC(F)=C1SC 094686 [0,1,0,0,0,0|0,1,0]=2 171 B11R1.265 COC1=CC=CC(I)=C1OC 021969 [0,1,0,0,0,0|0,0,0]=1 172 B11R1.265 COC1=CC=CC(N)=C1OC 021813 [0,1,0,0,0,0|0,0,0]=1 173 B11R1.265 COC1=CC=CC(O)=C1OC 008834 [0,1,0,0,0,0|0,0,0]=1 174 B11R2.1 CC1=CNC2=CC=CC=C12 068788 [0,0,0,1,0,0|2,0,1]=4 175 B11R2.1 CC1=COC2=CC=CC=C12 013629 [0,0,0,1,0,0|1,0,1]=3 176 B11R2.1 CC1=CSC2=CC=CC=C12 018819 [0,0,0,1,0,0|1,1,1]=4 177 B11R2.1 CC1CNC2=C1C=CC=C2 209516 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.1 CN1C=NC2=CC=CC=C21 222302 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.1 CN1N=NC2=CC=CC=C21 018820 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.1 ClC1=NOC2=CC=CC=C21 067548 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.1 NC1CCC2=C1C=CC=C2 219954 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.1 O=C1COC2=CC=CC=C12 069095 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.1 OC1=NOC2=CC=CC=C21 017185 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.1 OC1CCC2=CC=CC=C21 008845 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 454961 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.1 O[C@H]1CCC2=CC=CC=C21 106570 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.20 C1=CC2=C(C=C1)CCCC2 075145 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.20 C1=CC2=C(C=C1)CNCC2 040081 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.20 C1=CC2=C(C=C1)NCCC2 040080 [0,0,0,1,0,0|2,0,0]=3 192 B11R2.20 C1=CC2=C(C=N1)CCCC2 304059 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.20 C1=CC2=C(CCCC2)N=C1 044802 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.20 C1=CC=C2COCCC2=C1 237176 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.20 C1=CC=C2OCCNC2=C1 075546 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.2 BrCC1=CC=CC=C1 003666 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 C#CC1=CC=CC=C1 003009 [2,0,0,0,0,0|1,0,1]=4 200 B8R1.2 C=CC1=CC=CC=C1 520455 [2,0,0,0,0,0|1,0,1]=4 201 B8R1.2 CCC1=CC=CC=C1 094632 [2,0,0,0,0,0|1,0,0]=3 202 B8R1.2 CCC1=CC=CC=N1 098941 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 CCC1=CC=CN=C1 242838 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 CCC1=CC=NC=C1 319885 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 CC[N+]1=CC=CC=C1 046807 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 CNC1=CC=CC=C1 094625 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 CNC1=CC=CN=C1 079398 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 CNC1=CC=NC=C1 208626 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 CNC1=NC=CC=C1 233304 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|0,0,0]=2 211 B8R1.2 COC1=CC=CN=C1 079847 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 COC1=CC=NC=C1 045194 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.2 COC1=NC=CC=C1 045214 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.2 COC1=NC=CN=C1 002749 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 CSC1=CC=CC=C1 002945 [2,0,0,0,0,0|0,1,0]=3 216 B8R1.2 ClCC1=CC=CC=C1 106800 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [2,0,0,0,0,0|1,1,0]=4 219 B8R1.2 N#CC1=CC=CC=C1 035786 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 N#CC1=CC=CC=C1 102548 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 NCC1=CC=CC=C1 241882 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 NNC1=CC=CC=C1 079470 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 NNC1=CC=CC=C1 098902 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 O=NC1=CC=CC=C1 106182 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.2 OCC1=CC=CC=C1 094986 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 OCC1=CC=CC=C1 105725 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 SCC1=CC=CC=C1 098994 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [2,0,0,0,0,0|1,0,1]=4 230 B8R1.2 [O-]CC1=CC=CC=C1 105697 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.5 BrC1=C(Br)C=CC=C1 001158 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.5 BrC1=C(I)C=CC=C1 001124 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.5 CC1=C(Br)C=CC=C1 001397 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.5 CC1=C(Br)C=NC=C1 076567 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.5 CC1=C(C)C=CC=C1 094836 [2,0,0,0,0,0|0,0,0]=2 236 B8R1.5 CC1=C(C)C=CC=C1 098283 [2,0,0,0,0,0|0,0,0]=2 237 B8R1.5 CC1=C(C)C=NC=C1 358457 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.5 CC1=C(Cl)C=CN=C1 010406 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.5 CC1=C(Cl)N=CC=C1 048691 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.5 CC1=C(F)C=CC=C1 001423 [2,0,0,0,0,0|1,0,0]=3 241 B8R1.5 CC1=C(F)C=NC=C1 036307 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 CC1=C(I)C=CC=C1 001199 [2,0,0,0,0,0|1,0,0]=3 243 B8R1.5 CC1=C(N)C=CC=C1 043316 [2,0,0,0,0,0|1,0,0]=3 244 B8R1.5 CC1=C(S)C=CC=C1 172400 [2,0,0,0,0,0|0,1,0]=3 245 B8R1.5 CC1=C([NH3+])C=CC=C1 180149 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.5 CC1=CC=CC=C1Cl 235783 [2,0,0,0,0,0|1,0,0]=3 247 B8R1.5 CC1=CC=CC=C1O 239923 [2,0,0,0,0,0|0,0,0]=2 248 B8R1.5 CC1=CC=CC=[N+]1C 181294 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.5 CC1=CC=CN=C1Br 036374 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.5 CC1=CC=CN=C1C 477008 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.5 CC1=CC=CN=C1F 001764 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.5 CC1=CC=CN=C1N 032515 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.5 CC1=CC=CNC1=O 077668 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.5 CC1=CN=CC=C1N 045002 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 CC1=NC=CC=C1Br 036242 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.5 CC1=NC=CC=C1Cl 047642 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.5 CC1=NC=CC=C1F 092332 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.5 CC1=NC=CC=C1N 036315 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.5 CC1=NC=CC=C1O 044756 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.5 CC1=NC=CN=C1C 009615 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.5 CC1=[N+]([O-])C=CC=C1 037831 [2,0,0,0,0,0|1,0,1]=4 262 B8R1.5 CN1C=CC=CC1=O 233629 [2,0,0,0,0,0|1,0,1]=4 263 B8R1.5 C[N+]1=C(Br)C=CC=C1 182517 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.5 C[N+]1=C(Cl)C=CC=C1 067321 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.5 ClC1=C(Br)C=CC=C1 001103 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.5 ClC1=C(I)C=CC=C1 001149 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.5 ClC1=CC=CC=C1Cl 216310 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.5 FC1=C(Br)C=CC=C1 001121 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.5 FC1=C(Cl)C=CC=C1 001145 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.5 FC1=C(F)C=CC=C1 001169 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.5 FC1=C(I)C=CC=C1 001182 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.5 FC1=C(S)C=CC=C1 003237 [2,0,0,0,0,0|1,1,0]=4 273 B8R1.5 IC1=C(I)C=CC=C1 001039 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.5 NC1=C(Br)C=CC=C1 005347 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.5 NC1=C(Cl)C=CC=C1 097866 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.5 NC1=C(F)C=CC=C1 001430 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.5 NC1=C(I)C=CC=C1 001038 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.5 NC1=C(N)C=CC=C1 094521 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.5 NC1=C(O)C=CC=C1 094977 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.5 NC1=C(O)C=CN=C1 012737 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.5 NC1=C(S)C=CC=C1 002470 [2,0,0,0,0,0|1,1,0]=4 282 B8R1.5 NC1=CC=CN=C1O 047643 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.5 NC1=NC=CC=C1O 045183 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.5 OC1=C(Br)C=CC=C1 008838 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.5 OC1=C(F)C=CC=C1 001290 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.5 OC1=C(I)C=CC=C1 033689 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.5 OC1=C(S)C=CC=C1 008733 [2,0,0,0,0,0|0,1,0]=3 288 B8R1.5 OC1=CC=CC=C1Cl 242866 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.5 OC1=CC=CC=C1O 005090 [2,0,0,0,0,0|0,0,0]=2 290 B8R1.5 OC1=CC=CN=C1Br 045186 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.5 OC1=CC=CN=C1Cl 045045 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.5 OC1=CC=CN=C1F 043791 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.5 OC1=CC=CN=C1O 045191 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.5 OC1=CC=CNC1=S 180068 [2,0,0,0,0,0|1,1,0]=4 295 B8R1.5 SC1=C(Br)C=CC=C1 001577 [2,0,0,0,0,0|1,1,0]=4 296 B8R1.5 SC1=C(Cl)C=CC=C1 001580 [2,0,0,0,0,0|1,1,0]=4 297 B8R1.5 [O-][N+]1=CC=CC=C1O 078762 [2,0,0,0,0,0|1,0,1]=4 298 B10R1.2 C(=O)C1=C(O)C(F)=CC=C1 006235 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.2 CC1=C(C)C(C#N)=CC=C1 018609 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.2 CC1=C(C)C(C=O)=CC=C1 079056 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.2 CC1=C(C)C(CN)=CC=C1 018613 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.2 CC1=C(C=O)C=CC=C1Cl 044797 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.2 CC1=C(Cl)C=CC=C1CN 018396 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.2 CC1=C(Cl)C=CC=C1NN 026379 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.2 CC1=C(F)C=CC=C1CN 342592 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.2 CC1=CC=CC(C=O)=C1O 040086 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.2 CCC1=C(Br)C(C)=CC=C1 038639 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.2 COC1=C(Br)C(F)=CC=C1 035851 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.2 COC1=C(Br)C(N)=CC=C1 223772 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 209726 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.2 COC1=C(Cl)C(N)=CC=C1 076364 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.2 COC1=C(F)C(Br)=CC=C1 046493 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.2 COC1=C(F)C(Cl)=CC=C1 005612 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.2 COC1=C(F)C(F)=CC=C1 005734 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.2 COC1=C(I)C(Br)=CC=C1 061632 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.2 COC1=C(O)C(F)=CC=C1 217555 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.2 COC1=CC=CC(Br)=C1C 038822 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.2 COC1=CC=CC(Br)=C1N 075303 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.2 COC1=CC=CC(C)=C1O 068334 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.2 COC1=CC=CC(F)=C1C 043184 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.2 COC1=CC=CC(F)=C1I 043181 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.2 COC1=CC=CC(I)=C1Cl 095001 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.2 COC1=CC=CC(N)=C1C 044935 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.2 CSC1=C(Cl)C(Cl)=CC=C1 019343 [1,1,0,0,0,0|1,1,0]=4 325 B10R1.2 N#CC1=C(O)C(F)=CC=C1 046358 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.2 N#CC1=CC=CC(Br)=C1O 323953 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.2 O=CC1=CC=CC(Br)=C1O 079916 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.2 O=CC1=CC=CC(O)=C1O 091514 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.4 CC1=C(N=C=O)C=CC=C1 403155 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.4 CC1=C(N=C=S)C=CC=C1 001280 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.4 CC1=CC=CC=C1CCO 243106 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.4 CC1=CC=CC=C1NC=O 180097 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.4 CC1=CC=CN=C1CCO 032581 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.4 CCCC1=CC=NC=C1C 032545 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 CCNC1=CC=CC=C1C 243028 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [1,1,0,0,0,0|0,0,0]=2 342 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.4 CCOC1=CC=CC=C1O 216685 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [1,1,0,0,0,0|1,1,0]=4 346 B10R1.4 CNCC1=CC=CC=C1F 077128 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.4 COCC1=CC=CC=C1Br 233857 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.4 NCCC1=CC=CC=C1Br 067221 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.4 OCCC1=CC=CC=C1Br 210426 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.4 OCCC1=CC=CC=C1O 215704 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.25 C(=O)C1=C(C)C=C(F)C=C1 022355 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.25 C(=O)C1=CC=C(Cl)C=C1C 022354 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 112900 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.25 CC1=C(C=O)C=CC(O)=C1 040085 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.25 CC1=C(CN)C=CC(F)=C1 075557 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 022248 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 CC1=CC(Br)=CC=C1C=O 079274 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.25 CC1=CC(C)=C(NN)C=C1 366637 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.25 CC1=CC(Cl)=CC=C1CN 018397 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.25 CC1=CC(F)=CC=C1C#N 037167 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.25 CC1=CC(N)=CC=C1C#N 232626 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.25 CC1=CC=C(C#N)C(C)=C1 018610 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.25 CC1=CC=C(C=O)C(C)=C1 092111 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.25 CC1=CC=C(C=O)C(O)=C1 015626 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.25 CC1=CC=C(CN)C(C)=C1 018614 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.25 CC1=CC=C(NN)C(C)=C1 077986 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.25 CCC1=C(Cl)C=C(Cl)C=C1 105745 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.25 COC1=C(Br)C=C(Br)C=C1 003063 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.25 COC1=C(Br)C=C(F)C=C1 002823 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.25 COC1=C(Br)C=C(I)C=C1 038609 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.25 COC1=C(Br)C=C(N)C=C1 038608 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.25 COC1=C(C)C=C(Br)C=C1 024551 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.25 COC1=C(C)C=C(N)C=C1 038823 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.25 COC1=C(Cl)C=C(F)C=C1 013256 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.25 COC1=C(F)C=C(Br)C=C1 004207 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.25 COC1=C(F)C=C(F)C=C1 002346 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.25 COC1=C(F)C=C(N)C=C1 010679 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.25 COC1=C(I)C=C(C)C=C1 148600 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.25 COC1=C(N)C=C(Cl)C=C1 020202 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.25 COC1=C(N)C=C(I)C=C1 005445 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.25 COC1=C(O)C=C(C)C=C1 009947 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.25 COC1=C(O)C=C(F)C=C1 013351 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.25 COC1=C(S)C=C(C)C=C1 038021 [1,1,0,0,0,0|0,1,0]=3 389 B10R1.25 COC1=CC=C(Br)C=C1Cl 240212 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.25 COC1=CC=C(Br)C=C1O 043697 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.25 COC1=CC=C(C)C=C1Br 018292 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.25 COC1=CC=C(C)C=C1Cl 018390 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.25 COC1=CC=C(C)C=C1N 043367 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.25 COC1=CC=C(Cl)C=C1Br 018250 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.25 COC1=CC=C(Cl)C=C1Cl 018511 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.25 COC1=CC=C(Cl)C=C1I 018381 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.25 COC1=CC=C(F)C=C1C 013357 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.25 COC1=CC=C(F)C=C1N 064681 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.25 COC1=CC=C(F)C=C1N 209750 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.25 COC1=CC=C(I)C=C1Cl 075742 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.25 COC1=CC=C(N)C=C1Cl 079264 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.25 COC1=CC=C(N)C=C1I 079878 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.25 COC1=CC=C(N)C=C1O 233883 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.25 COC1=CC=C(O)C=C1Br 076521 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.25 COC1=NC=C(Br)C=C1C 067300 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.25 COC1=NC=C(Cl)C=C1Br 036166 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.25 COC1=NC=C(N)C=C1Br 036163 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.25 CSC1=C(C)C=C(C)C=C1 019336 [1,1,0,0,0,0|0,1,0]=3 409 B10R1.25 CSC1=C(F)C=C(F)C=C1 019352 [1,1,0,0,0,0|1,1,0]=4 410 B10R1.25 N#CC1=CC=C(Br)C=C1O 091911 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 N#CC1=CC=C(O)C=C1O 208819 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.25 O=CC1=C(O)C=C(F)C=C1 013957 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.25 O=CC1=CC=C(Br)C=C1O 025096 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.25 O=CC1=CC=C(Cl)C=C1O 025097 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.25 O=CC1=CC=C(O)C=C1O 227645 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.30 C(=O)C1=C(C)C=CC(F)=C1 022378 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.30 CC1=C(C#N)C=C(Br)C=C1 062784 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.30 CC1=C(C#N)C=C(F)C=C1 006279 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.30 CC1=C(C#N)C=C(I)C=C1 070670 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.30 CC1=C(CBr)C=C(F)C=C1 005801 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.30 CC1=C(CN)C=C(F)C=C1 005798 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.30 CC1=C(CO)C=C(F)C=C1 005795 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.30 CC1=CC(CO)=C(O)C=C1 104296 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.30 CC1=CC=C(C)C(C=O)=C1 329590 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.30 CC1=CC=C(C)C(CN)=C1 018615 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.30 CC1=CC=C(N)C=C1C#N 068191 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.30 CC1=CC=C(O)C(C=O)=C1 015625 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.30 CCC1=C(Br)C=CC(Br)=C1 037720 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.30 CCC1=C(Br)C=CC(N)=C1 044816 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.30 CCC1=C(Cl)C=CC(Br)=C1 037719 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 049114 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.30 CCC1=C(I)C=CC(Br)=C1 024167 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.30 CCC1=C(N)C=CC(Br)=C1 037858 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.30 CCC1=C(O)C=CC(F)=C1 006110 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.30 CCC1=CC(Cl)=CC=C1Br 037714 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.30 CCC1=CC(I)=CC=C1Br 037713 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.30 COC1=C(Br)C=CC(Br)=C1 062592 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.30 COC1=C(Br)C=CC(F)=C1 013776 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.30 COC1=C(Br)C=CC(I)=C1 062593 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.30 COC1=C(Br)C=CC(N)=C1 075018 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 023224 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.30 COC1=C(Cl)C=CC(F)=C1 004419 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.30 COC1=C(F)C=CC(Br)=C1 035061 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.30 COC1=C(F)C=CC(C)=C1 005783 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.30 COC1=C(F)C=CC(Cl)=C1 013260 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.30 COC1=C(F)C=CC(I)=C1 035062 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.30 COC1=C(F)C=CC(N)=C1 022116 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.30 COC1=C(I)C=CC(F)=C1 075749 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.30 COC1=C(N)C=CC(Br)=C1 040536 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.30 COC1=C(N)C=CC(C)=C1 044675 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.30 COC1=C(N)C=CC(F)=C1 075747 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.30 COC1=C(O)C=CC(F)=C1 005781 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.30 COC1=CC(Br)=CC=C1C 091946 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.30 COC1=CC(Br)=CC=C1I 038031 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.30 COC1=CC(Br)=CC=C1O 210510 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.30 COC1=CC(C)=CC=C1Br 038665 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.30 COC1=CC(C)=CC=C1O 216346 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.30 COC1=CC(Cl)=CC=C1O 120000 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.30 COC1=CC(Cl)=CN=C1N 209243 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.30 COC1=CC(N)=CC=C1C 077811 [1,1,0,0,0,0|0,0,0]=2 461 B10R1.30 COC1=CC(N)=CC=C1Cl 078684 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.30 COC1=CC(O)=CC=C1O 216578 [1,1,0,0,0,0|0,0,0]=2 463 B10R1.30 COC1=NC(Br)=CC=C1N 210513 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.30 CSC1=C(C)C=CC(C)=C1 019337 [1,1,0,0,0,0|0,1,0]=3 465 B10R1.30 CSC1=C(Cl)C=CC(Cl)=C1 019345 [1,1,0,0,0,0|1,1,0]=4 466 B10R1.30 CSC1=CC(Cl)=CC=C1C 394983 [1,1,0,0,0,0|0,1,0]=3 467 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 005188 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.30 N#CC1=C(O)C=CC(I)=C1 025346 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.30 N#CC1=C(O)C=CC(N)=C1 238062 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.30 N#CC1=CC(Cl)=CC=C1O 025029 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 061448 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.30 O=CC1=C(O)C=CC(F)=C1 013016 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.30 O=CC1=C(O)C=CC(I)=C1 031711 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.30 O=CC1=C(O)C=CC(O)=C1 033709 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.30 O=CC1=CC(Br)=CC=C1O 079127 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.30 OCC1=CC(Cl)=CC=C1O 018378 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 035873 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.61 CC(=O)C1=C(F)C=CC=C1 001616 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.61 CC(=O)C1=CC=CC=C1Cl 003397 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.61 CC(=O)C1=CC=CC=C1I 075032 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.61 CC(=O)C1=CC=CC=C1N 076856 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.61 CC(=O)C1=CC=CC=C1O 078584 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.61 CC(C)C1=C(Br)C=CC=C1 009741 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.61 CC(C)C1=C(I)C=CC=C1 001198 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.61 CC(C)C1=C(N)C=CC=C1 033911 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 CC(C)C1=CC=CC=C1O 208839 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.61 CC(C)C1=CC=CC=C1S 023120 [1,1,0,0,0,0|1,1,0]=4 488 B10R1.61 CC(O)C1=C(Br)C=CC=C1 094463 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.61 CC(O)C1=C(F)C=CC=C1 006337 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.61 CC1=C(B(O)O)C=CC=C1 002464 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 387693 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.61 CC1=C(C(N)=O)C=CC=C1 341826 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.61 CC1=C(C(N)=S)C=CC=C1 021341 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.61 CC1=C(C(N)=S)C=CC=C1 097832 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.61 CC1=CC=CC=C1C(=O)O 242818 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.61 CC1=CC=CC=C1[N+](=O)[O-] 241126 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.61 CN(C)C1=CC=CC=C1Br 215675 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.61 CN(C)C1=CC=CC=C1N 079293 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.61 NC(=O)C1=CC=CC=C1O 091532 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.61 O=C(O)C1=CC=CC=C1O 065853 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.61 O=C(O)C1=CC=CC=C1O 102073 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O 222309 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.61 OB(O)C1=C(O)C=CC=C1 033136 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.245 CC1=C(C#N)C(Br)=CC=C1 078426 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.245 CC1=C(C=O)C(F)=CC=C1 092258 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.245 CC1=C(CN)C(F)=CC=C1 069732 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.245 CC1=CC=CC(C)=C1C=O 077695 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.245 CC1=CC=CC(C)=C1CBr 079239 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.245 CC1=CC=CC(C)=C1CCl 018619 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.245 CC1=CC=CC(C)=C1CO 243203 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.245 CC1=CC=CC(Cl)=C1C=O 032490 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.245 CC1=CC=CC(Cl)=C1CO 246293 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.245 CC1=CC=CC(F)=C1C#N 037165 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.245 COC1=C(Br)C=CC=C1C 038818 [1,1,0,0,0,0|0,0,0]=2 515 B10R1.245 COC1=C(Br)C=CC=C1N 210485 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.245 COC1=C(C)C=CC=C1C 024679 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.245 COC1=C(Cl)C=CC=C1F 005611 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.245 COC1=C(F)C=CC=C1F 005735 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.245 COC1=C(F)C=CC=C1N 064682 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.245 COC1=C(N)C=CC=C1C 038817 [1,1,0,0,0,0|0,0,0]=2 521 B10R1.245 CSC1=C(C)C=CC=C1C 019338 [1,1,0,0,0,0|0,1,0]=3 522 B10R1.245 CSC1=C(Cl)C=CC=C1Cl 019346 [1,1,0,0,0,0|1,1,0]=4 523 B10R1.245 O=CC1=C(Cl)C=CC=C1O 033179 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.245 O=CC1=C(F)C=CC=C1O 013018 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.245 O=CC1=C(O)C=CC=C1Br 076166 [1,1,0,0,0,0|2,0,0]=4 526 B12R1.46 COC1=C(B(O)O)C=C(Cl)C=C1 011022 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.46 COC1=C(B(O)O)C=C(F)C=C1 033093 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 019294 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 019292 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 019293 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.46 COC1=CC=C(Br)C=C1B(O)O 211446 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.46 COC1=CC=C(Br)C=C1[N+](=O)[O-] 018301 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.46 COC1=CC=C(Cl)C=C1C(=O)O 078995 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.57 COC1=C(C(=O)Cl)C=CC(F)=C1 038122 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 022645 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 013328 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 006262 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.57 COC1=C(C(C)C)C=CC(C)=C1 103225 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.57 COC1=C([N+](=O)[O-])C=CC(C)=C1 044676 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 033120 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.57 COC1=CC(Cl)=CC=C1B(O)O 219373 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.57 COC1=CC(Cl)=CC=C1C(=O)O 077973 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.57 COC1=CC(Cl)=CC=C1[N+](=O)[O-] 214700 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.57 COC1=CC(F)=CC=C1B(O)O 092328 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.57 COC1=CC(F)=CC=C1C(N)=O 244167 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 040223 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.78 COC1=C(OC)C=C(CN)C=C1 008881 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.78 COC1=CC(OC)=C(OC)C=C1 003066 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 092223 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.78 COC1=CC=C(C=O)C=C1OC 078760 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.78 COC1=CC=C(CN)C(OC)=C1 079642 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.78 COC1=CC=C(CO)C(OC)=C1 209486 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.78 COC1=CC=C(CO)C=C1OC 209487 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 036357 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.78 COC1=CC=C(OC)C(CO)=C1 240767 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.112 CCOC1=CC=C(Br)C=C1C=O 011096 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.112 CCOC1=CC=C(Br)C=C1OC 401120 [0,2,0,0,0,0|0,0,0]=2 558 B12R1.268 COC1=C(N=C=O)C=C(C)C=C1 365577 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.268 COC1=C(N=C=S)C=C(C)C=C1 009508 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.268 COC1=C(N=C=S)C=C(Cl)C=C1 008762 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.448 COC1=CC(Br)=C(Br)C=C1OC 019483 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.448 COC1=CC(C)=C(N)C=C1OC 018585 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.448 COC1=CC(F)=C(Br)C=C1OC 470837 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.652 COC1=CC=C(F)C(F)=C1C=O 033430 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.75 C(=O)C1=C(OC(F)F)C=CC=C1 004829 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.75 C(F)(F)OC1=C(CBr)C=CC=C1 007861 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.75 C(F)(F)OC1=C(CN)C=CC=C1 007858 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.75 C(F)(F)OC1=C(CO)C=CC=C1 007855 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 014203 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 023444 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.75 COC1=C(CC(C)O)C=CC=C1 103322 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.75 COC1=C(NC(N)=O)C=CC=C1 435972 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 018704 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.75 COC1=CC=CC=C1CC(=O)O 078960 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.75 COC1=CC=CC=C1NC(N)=S 018808 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.77 CCC1=C(C(=O)OC)C=CC=C1 102397 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.77 COC(=O)C1=CC=CC=C1C=O 092437 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.77 COC(=O)C1=CC=CC=C1CN 023463 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.77 COC(=O)C1=CC=CC=C1OC 216574 [0,2,0,0,0,0|0,0,0]=2 580 B12R1.77 COC(=O)C1=CC=CC=[N+]1OC 181932 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 018068 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.77 COC1=CC=CC=C1C(=O)NN 018769 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 102100 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.121 COC1=C(CN=C=O)C=CC=C1 104480 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.121 COC1=C(SCC#N)C=CC=C1 097669 [0,2,0,0,0,0|0,1,0]=3 586 B12R1.121 COC1=C(SCCO)C=CC=C1 019395 [0,2,0,0,0,0|0,1,0]=3 587 B12R1.121 COC1=CC=CC=C1CN=C=S 008996 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.121 COC1=CC=CC=C1OCCN 036459 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.169 CCOC1=C(N=C=S)C=CC=C1 008941 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.169 CCOC1=CC=CC=C1OCC 216686 [0,2,0,0,0,0|0,0,0]=2 591 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 018652 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.283 CCOC1=C(C(N)=O)C=CC=C1 098997 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.542 CCOC1=C(C=O)C(F)=CC=C1 190359 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.542 CCOC1=CC=CC(F)=C1C#N 024568 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.542 CCOC1=CC=CC(F)=C1CN 075162 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.76 COC1=C(C(C)(C)C)C=CC=C1 104269 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.76 COC1=C(C(F)(F)F)C=CC=C1 013872 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 043478 [0,2,0,0,0,0|1,1,0]=4 599 B12R1.76 COC1=C(S(C)(=O)=O)C=CC=C1 019372 [0,2,0,0,0,0|0,1,0]=3 600 B12R1.76 COC1=CC=CC=C1S(=O)(=O)Cl 088375 [0,2,0,0,0,0|1,1,0]=4 601 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br 038850 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.87 COC1=C(C(C)=O)C=CC=C1F 046361 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.87 COC1=C(Cl)C=CC=C1B(O)O 219127 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.87 COC1=C([N+](=O)[O-])C=CC=C1Br 211481 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.87 COC1=C([N+](=O)[O-])C=CC=C1C 038811 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.437 COC1=C(B(O)O)C(Cl)=CC=C1 219412 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.437 COC1=C(B(O)O)C(F)=CC=C1 035866 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.437 COC1=CC=CC(Br)=C1[N+](=O)[O-] 068165 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.437 COC1=CC=CC(C)=C1C(=O)O 079588 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.437 COC1=CC=CC(F)=C1C(=O)O 019311 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.437 COC1=CC=CC(F)=C1C(C)=O 013007 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.437 COC1=CC=CC(N)=C1C(=O)O 009747 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.741 COC1=C(C=O)C(F)=CC=C1F 046462 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.1879 COC1=C(OC)C(C#N)=CC=C1 023875 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.1879 COC1=C(OC)C(C=O)=CC=C1 078927 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.1879 COC1=CC=CC(CN)=C1OC 075160 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.1879 COC1=CC=CC(OC)=C1C=O 013536 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.176 COC1=CC(C)=C(C)C=C1 049843 [0,0,1,1,0,0|1,0,1]=4 619 B10R1.176 COC1=CC(C)=C(F)C=C1 006276 [0,0,1,1,0,0|2,0,0]=4 620 B10R1.176 COC1=CC(C)=C(N)C=C1 013907 [0,0,1,1,0,0|2,0,0]=4 621 B10R1.176 COC1=CC=C(Br)C(C)=C1 018291 [0,0,1,1,0,0|2,0,0]=4 622 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|1,0,1]=4 623 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [1,0,0,1,0,0|1,0,0]=3 624 B10R2.7 C1=CC=C2CNCC2=C1 041927 [1,0,0,1,0,0|2,0,0]=4 625 B10R2.7 C1=CC=C2NCCC2=C1 068790 [1,0,0,1,0,0|1,0,0]=3 626 B10R2.7 C1=CC=C2OC=CC2=C1 078727 [1,0,0,1,0,0|0,0,2]=4 627 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [1,0,0,1,0,0|1,0,1]=4 628 B10R2.7 C1=CC=C2OCCC2=C1 017117 [1,0,0,1,0,0|0,0,0]=2 629 B10R2.7 C1=CC=C2OCOC2=C1 022089 [1,0,0,1,0,0|0,0,0]=2 630 B10R2.7 C1=CN=C2CCCC2=C1 075302 [1,0,0,1,0,0|2,0,0]=4 631 B12R2.24 BrC1=CC=C2NCCOC2=C1 079243 [0,1,0,1,0,0|1,0,0]=3 632 B12R2.24 CC1=CC=C2NCCCC2=C1 431465 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 231154 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.24 NC1=CC2=C(C=C1)OCCO2 008859 [0,1,0,1,0,0|0,0,0]=2 635 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.24 OC1=CC=C2CCCCC2=C1 078989 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.612 O=C1COC2=CC(O)=CC=C12 069222 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.315 COC1=C2NC=CC2=CC=C1 023388 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.315 COC1=CC=CC2=C1NN=C2 225680 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.1081 CC1NCCC2=C1C=CC=C2 077277 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1081 NC1CCCC2=C1C=CC=C2 219818 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.1081 NC1CCCC2=CC=CC=C21 048220 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.1081 NC1COCC2=C1C=CC=C2 091889 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 048221 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.1081 O=C1CCOC2=C1C=CC=C2 317966 [0,1,0,1,0,0|1,0,0]=3 650 B12R2.1081 OC1=C2CCCCC2=CC=C1 242836 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.1081 OC1=CC=CC2=C1NCCC2 025404 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.1081 OC1CCCC2=CC=CC=C21 069137 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.1081 OC1CCOC2=CC=CC=C21 104541 [0,1,0,1,0,0|1,0,0]=3 654 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 219879 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 219880 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 180164 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.2028 CN1N=[N+](C)C2=C1C=CC=C2 182061 [0,1,0,1,0,0|2,0,0]=4