0 B10R1.3 BrCC1=CC=C(CBr)C=C1 10202 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.3 C#CC1=CC=C(C#C)C=C1 25869 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C#CC1=CC=C(CC)C=C1 10925 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 C=CC1=CC=C(CCl)C=C1 25812 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 C=CC1=NC=C(CC)C=C1 19454 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 CCC1=CC=C(C=O)C=C1 3072 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.3 CCC1=CC=C(CCl)C=C1 4921 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.3 CCC1=CC=C(OC)C=C1 25322 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.3 CCc1ccc(CCl)cc1 36258 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.3 CNC1=CC=C(C#N)C=C1 4815 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.3 CNC1=CC=C(OC)C=C1 25931 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.3 COC1=CC=C(C#N)C=C1 8162 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.3 COC1=CC=C(C=O)C=C1 22535 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.3 COC1=CC=C(C=O)C=N1 5152 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.3 COC1=CC=C(CBr)C=C1 15882 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.3 COC1=CC=C(CCl)C=C1 18654 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.3 COC1=CC=C(CN)C=C1 4428 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.3 COC1=CC=C(CN)C=N1 33703 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.3 COC1=CC=C(CO)C=C1 19100 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.3 COC1=CC=C(CS)C=C1 6839 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.3 COC1=CC=C(NN)C=C1 4498 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.3 COC1=CC=C(SC)C=C1 10655 [0,0,0,0,0,0|0,1,0]=1 22 B10R1.3 COC1=CN=C(C=O)C=C1 24092 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.3 COC1=CN=C(CO)C=C1 34570 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.3 COC1=NC=C(C#N)C=C1 15154 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.3 COC1=NC=C(C=O)C=N1 5296 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.3 CSC1=CC=C(C#N)C=C1 10528 [0,0,0,0,0,0|2,1,0]=3 27 B10R1.3 CSC1=CC=C(C=O)C=C1 10796 [0,0,0,0,0,0|2,1,0]=3 28 B10R1.3 CSC1=CC=C(CCl)C=C1 10530 [0,0,0,0,0,0|2,1,0]=3 29 B10R1.3 CSC1=CC=C(CN)C=C1 27539 [0,0,0,0,0,0|2,1,0]=3 30 B10R1.3 CSC1=CC=C(CO)C=C1 7470 [0,0,0,0,0,0|2,1,0]=3 31 B10R1.3 ClCC1=CC=C(CCl)C=C1 10211 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.3 N#CC1=CC=C(C=O)C=C1 3118 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.3 N#CC1=CC=C(CBr)C=C1 7495 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.3 N#CC1=CC=C(CCl)C=C1 7377 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.3 N#CC1=CC=C(CN)C=C1 2057 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.3 N#CC1=CC=C(CN)C=C1 9986 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.3 N#CC1=CC=C(NN)C=C1 13684 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.3 N#Cc1ccc(CO)cc1 31292 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.3 O=CC1=CC=C(C=O)C=C1 35665 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.3 O=CC1=CC=C(CBr)C=C1 19839 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.3 O=CC1=CC=C(CCl)C=C1 30942 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.3 OCC1=CC=C(CBr)C=C1 27440 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.3 SCc1ccc(CS)cc1 6840 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 CC1=CN=C(C#N)C=C1 12978 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 CC1=NC=C(C#N)C=C1 6695 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 CC1=NC=C(NN)C=C1 19456 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 CC1=NC=C(NN)C=C1 26049 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,0,0,0,0,0|1,1,0]=3 70 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 CCc1ccc(F)cc1 22752 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 COC1=CC=C(C)N=C1 6640 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.1 COC1=CC=C(N)N=N1 9536 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,0,0,0,0,0|0,0,0]=1 87 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,0,0,0,0,0|0,1,0]=2 89 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.1 COC1=CN=C(Br)C=C1 15210 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 COC1=CN=C(Br)C=N1 27287 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 COC1=CN=C(Br)N=C1 26980 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 COC1=CN=C(Cl)C=N1 32145 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COC1=CN=C(Cl)N=C1 13187 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=CN=C(F)C=C1 33665 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 COC1=CN=C(N)C=C1 23280 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 COC1=CN=C(N)C=N1 17505 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 COC1=CN=C(N)N=C1 20801 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 COC1=NC=C(Br)C=C1 2408 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COC1=NC=C(Br)C=N1 5264 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 COC1=NC=C(I)C=C1 6606 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 COC1=NC=C(N)C=C1 1270 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,0,0,0,0,0|1,1,0]=3 109 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,0,0,0,0,0|0,1,0]=2 110 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,0,0,0,0,0|1,1,0]=3 111 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,0,0,0,0,0|1,1,0]=3 112 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,0,0,0,0,0|1,1,0]=3 114 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,0,0,0,0,0|0,1,0]=2 115 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,0,0,0,0,0|0,2,0]=3 116 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 N#CC1=CN=C(O)C=C1 18529 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 N#CC1=NC=C(O)C=C1 17605 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,0,0,0,0,0|2,1,0]=4 161 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 9725 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 8085 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 21650 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 9808 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.3 COC1=CC=C(C(N)=S)C=C1 13558 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.3 COC1=CN=C(C(=O)O)C=C1 15176 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.3 COC1=NC=C(B(O)O)C=C1 5047 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.3 COC1=NC=C(C(=O)O)C=C1 15177 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.3 COC1=NC=C(C(C)=O)C=C1 16770 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 1207 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [0,1,0,0,0,0|2,1,0]=4 191 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,1,0,0,0,0|1,1,0]=3 192 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 10631 [0,1,0,0,0,0|2,1,0]=4 193 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 14778 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.83 CCC1=CN=C(CCO)C=C1 16511 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.83 COC1=CC=C(OC#N)C=C1 20087 [0,1,0,0,0,0|0,0,1]=2 208 B11R1.83 CSC1=CC=C(CC#N)C=C1 10715 [0,1,0,0,0,0|1,1,1]=4 209 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.83 N#CC1=CC=C(CCN)C=C1 31896 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.83 N#CC1=CC=C(CCN)C=C1 31898 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 3795 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.279 COC1=C(Br)N=C(CO)C=C1 26737 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.279 COC1=C(C)C=C(CO)C=C1 24130 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 3661 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 31299 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 35436 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.279 COC1=C(F)C=C(C#N)C=C1 18462 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.279 COC1=C(F)C=C(CBr)C=C1 4923 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 30831 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 12556 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.279 COC1=CC(Br)=C(CBr)C=C1 31331 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.279 COC1=CC(Br)=C(OC)C=C1 19785 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.279 COC1=CC(C)=C(C#N)C=C1 25451 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.279 COC1=CC(C)=C(C=O)C=C1 30912 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.279 COC1=CC(C)=C(OC)C=C1 4543 [0,1,0,0,0,0|0,0,0]=1 235 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 4729 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 27587 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 30888 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.279 COC1=CC(Cl)=C(CBr)C=C1 31270 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.279 COC1=CC(F)=C(C#N)C=C1 4783 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.279 COC1=CC(F)=C(C=O)C=C1 1447 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.279 COC1=CC(F)=C(CBr)C=C1 24293 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.279 COC1=CC(F)=C(CCl)C=C1 25838 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.279 COC1=CC(F)=C(CO)C=C1 7733 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.279 COC1=CC(F)=C(NN)C=C1 11269 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.279 COC1=CC(F)=C(OC)C=C1 3050 [0,1,0,0,0,0|0,0,0]=1 246 B11R1.279 COC1=CC(I)=C(C#N)C=C1 27647 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.279 COC1=CC(N)=C(C#N)C=C1 30767 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.279 COC1=CC(N)=C(OC)C=C1 25396 [0,1,0,0,0,0|0,0,0]=1 249 B11R1.279 COC1=CC(O)=C(C#N)C=C1 22496 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [0,1,0,0,0,0|0,0,0]=1 251 B11R1.279 COC1=CC(S)=C(OC)C=C1 6852 [0,1,0,0,0,0|0,0,0]=1 252 B11R1.279 COC1=CC=C(C=O)C(O)=C1 8148 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.279 COC1=CN=C(OC)N=C1Cl 22526 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.279 COC1=NC(F)=C(C=O)C=C1 27963 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.279 COC1=NC=C(C=O)C=C1Cl 17090 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.279 COc1ccc(CN)cc1F 31259 [0,1,0,0,0,0|2,0,0]=3 257 B9R0.24 COC(=O)\C=C\C(=O)OC 21799 [0,0,1,0,0,0|2,0,0]=3 258 B11R2.190 C=CC1=CC=C2CCC2=C1 35204 [0,0,0,1,0,0|2,0,1]=4 259 B9R1.21 COC1C=CC(OC)O1 6933 [0,0,0,0,1,0|1,0,2]=4 260 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|1,0,1]=4 262 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|0,0,0]=2 265 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|0,0,0]=2 266 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 COC1=CN=CN=C1 25073 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 COC1=NC=CN=C1 8605 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 COC1=NC=NC=C1 21029 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|0,1,0]=3 273 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|1,1,0]=4 274 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.3 BrC1=CC=C(Br)C=C1 10875 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.3 BrC1=CC=C(I)C=C1 27467 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.3 BrC1=CC=C(I)C=C1 3786 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.3 CC1=CC=C(Br)C=C1 21011 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.3 CC1=CC=C(C)N=N1 20402 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.3 CC1=CC=C(Cl)C=C1 19750 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.3 CC1=CC=C(F)C=C1 12887 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.3 CC1=CC=C(I)C=C1 4548 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.3 CC1=CC=C(O)C=C1 23326 [2,0,0,0,0,0|0,0,0]=2 287 B8R1.3 CC1=CC=C(S)C=C1 6809 [2,0,0,0,0,0|0,1,0]=3 288 B8R1.3 CC1=CN=C(Br)C=C1 1185 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.3 CC1=CN=C(C)C=C1 20994 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.3 CC1=CN=C(C)C=N1 8608 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.3 CC1=CN=C(F)C=C1 4059 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.3 CC1=CN=C(N)C=C1 1159 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.3 CC1=CN=C(O)C=C1 14321 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.3 CC1=CN=C(O)C=C1 27251 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.3 CC1=NC=C(Br)C=C1 4058 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.3 CC1=NC=C(F)C=C1 2224 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.3 CC1=NC=C(I)C=C1 6698 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.3 CC1=NC=C(N)C=C1 1280 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.3 CC1=NC=C(O)C=C1 6696 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.3 CC1=NC=C(O)C=N1 21855 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.3 ClC1=CC=C(Br)C=C1 10226 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.3 ClC1=CC=C(I)C=C1 3648 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.3 FC1=CC=C(Br)C=C1 2251 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.3 FC1=CC=C(F)C=C1 2309 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.3 FC1=CC=C(I)C=C1 2103 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.3 FC1=CC=C(S)C=C1 5431 [2,0,0,0,0,0|1,1,0]=4 310 B8R1.3 IC1=CC=C(I)C=C1 3837 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.3 NC1=CC=C(Br)C=C1 3724 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.3 NC1=CC=C(Cl)C=C1 16666 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 NC1=CC=C(F)C=C1 10782 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 NC1=CC=C(F)C=C1 5246 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 NC1=CC=C(I)C=C1 10572 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 NC1=CC=C(N)C=C1 22180 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 NC1=CC=C(O)C=C1 22199 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.3 NC1=CC=C(S)C=C1 2471 [2,0,0,0,0,0|1,1,0]=4 319 B8R1.3 NC1=CN=C(O)C=C1 14125 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 NC1=CN=C(O)C=C1 6563 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 NC1=NC=C(O)C=C1 5754 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 O=C1C=CC(=O)C=C1 14592 [2,0,0,0,0,0|0,0,2]=4 323 B8R1.3 OC1=CC=C(Br)C=C1 19708 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.3 OC1=CC=C(Br)N=C1 24844 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.3 OC1=CC=C(Cl)C=C1 22009 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.3 OC1=CC=C(F)C=C1 2314 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.3 OC1=CC=C(I)C=C1 3199 [2,0,0,0,0,0|1,0,0]=3 328 B8R1.3 OC1=CC=C(O)C=C1 9139 [2,0,0,0,0,0|0,0,0]=2 329 B8R1.3 OC1=CC=C(O)N=N1 15702 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.3 OC1=CC=C(S)C=C1 2464 [2,0,0,0,0,0|0,1,0]=3 331 B8R1.3 OC1=CN=C(Br)C=C1 5967 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.3 OC1=CN=C(F)C=C1 6321 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.3 OC1=CN=C(O)C=C1 5522 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.3 OC1=NC=C(Br)C=C1 1178 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.3 OC1=NC=C(F)C=C1 6566 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.3 OC1=NC=C(I)C=C1 6567 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.3 SC1=CC=C(Br)C=C1 4043 [2,0,0,0,0,0|1,1,0]=4 340 B8R1.3 SC1=CC=C(Cl)C=C1 6790 [2,0,0,0,0,0|1,1,0]=4 341 B8R1.3 SC1=CC=C(S)C=C1 6866 [2,0,0,0,0,0|0,2,0]=4 342 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|0,0,0]=2 347 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [1,1,0,0,0,0|1,1,0]=4 389 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [1,1,0,0,0,0|1,1,0]=4 400 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [1,1,0,0,0,0|1,1,0]=4 401 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CN(C)c1ccc(N)cc1 21651 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [1,1,0,0,0,0|1,1,0]=4 423 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [1,1,0,0,0,0|1,1,0]=4 424 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 CC1=C(C#N)C=CC(O)=C1 27578 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 CC1=C(C=O)C=CC(O)=C1 3910 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 CC1=C(CN)C=CC(O)=C1 27617 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 CC1=CC(C)=C(C=O)C=C1 3070 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 CC1=CC(C)=C(NN)C=C1 6399 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 4732 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 17007 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 28906 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 35435 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 4481 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 CC1=CC(F)=C(C#N)C=C1 1555 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 CC1=CC(F)=C(C=O)C=C1 1451 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 CC1=CC(N)=C(C#N)C=C1 4661 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.25 CC1=CC(O)=C(C#N)C=C1 30774 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.25 CC1=CC=C(C=O)C(O)=C1 8154 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|0,0,0]=2 463 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.25 COC1=C(Cl)N=C(N)C=C1 22126 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|0,1,0]=3 476 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.25 COC1=CC=C(N)N=C1C 6638 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.25 COC1=CN=C(O)N=C1O 7099 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.25 COC1=NC=C(Br)C=C1Cl 1164 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.25 COC1=NC=C(Br)C=C1F 10468 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.25 COC1=NC=C(Br)C=C1I 8079 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.25 COC1=NC=C(Br)C=C1N 17164 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.25 COC1=NC=C(C)C=C1I 26966 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.25 COC1=NC=C(F)C=C1C 6603 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 COC1=NC=C(F)C=C1O 15267 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 COC1=NC=C(N)C=C1C 1268 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|0,1,0]=3 506 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|1,1,0]=4 507 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 4727 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.25 N#CC1=C(F)C=C(O)C=C1 2866 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.25 N#CC1=C(F)C=C(O)C=C1 3495 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.25 N#CC1=C(O)C=C(O)C=C1 13114 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 7366 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.25 O=CC1=C(F)C=C(O)C=C1 1442 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.25 O=CC1=C(I)C=C(O)C=C1 28098 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 31313 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 11163 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.176 CC1=C(C)C=C(C#N)C=C1 14892 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 4733 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 27458 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.176 CC1=C(F)C=C(C#N)C=C1 1557 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.176 CC1=C(F)C=C(CN)C=C1 16749 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.176 CC1=C(F)C=C(NN)C=C1 3343 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.176 CC1=C(F)C=C(NN)C=C1 4493 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.176 CC1=C(I)C=C(C#N)C=C1 23826 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.176 CC1=C(N)C=C(C#N)C=C1 4665 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.176 CC1=C(O)C=C(C#N)C=C1 19802 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 28299 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [1,1,0,0,0,0|0,0,0]=2 548 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,1,0,0,0,0|0,0,0]=2 555 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,1,0,0,0,0|0,1,0]=3 560 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [1,1,0,0,0,0|0,0,0]=2 562 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|0,0,0]=2 567 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|0,0,0]=2 574 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [1,1,0,0,0,0|0,0,0]=2 580 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,1,0,0,0,0|0,0,0]=2 588 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 34861 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 27271 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.176 COC1=CC=C(Cl)C(N)=N1 34185 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.176 COC1=CC=C(N)C(Br)=N1 1233 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 COC1=CC=C(N)C(C)=N1 1267 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.176 COC1=CC=C(N)C(C)=N1 16794 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.176 COC1=CC=C(N)C(N)=N1 20870 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.176 COC1=CC=C(N)C(N)=N1 5392 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|0,0,0]=2 600 B10R1.176 COC1=CN=C(Cl)C(N)=C1 26205 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 COC1=NC(C)=C(Br)C=C1 29228 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 COC1=NC(C)=C(Br)C=C1 6601 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.176 COC1=NC(C)=C(F)C=C1 6605 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 COC1=NC(C)=C(N)C=C1 1133 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.176 COC1=NC=C(Br)C(C)=C1 6600 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 34352 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 COC1=NC=C(F)C(Br)=C1 17047 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 COC1=NC=C(F)C(C)=C1 6604 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.176 COC1=NC=C(F)C(I)=C1 15251 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.176 COC1=NC=C(F)C(N)=C1 34238 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.176 COC1=NC=C(N)C(C)=C1 6599 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.176 COc1ccc(Br)c(N)c1 26521 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.176 Cc1ccc(CO)cc1Cl 23926 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 3780 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 4726 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 N#CC1=CC(F)=C(O)C=C1 2610 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 29728 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 28265 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 33537 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 17488 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 13652 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24217 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 24218 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 14334 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 35347 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 19377 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 35317 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 24425 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 10126 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 10828 [0,2,0,0,0,0|0,1,0]=3 644 B12R1.6 COC1=CC=C([B-](F)(F)F)C=C1 11347 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 2675 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 21012 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 4133 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 33884 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 28385 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 29594 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 16367 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.48 COC1=C(Cl)C=C([C@H](C)O)C=C1 15581 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 19087 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 1850 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 1921 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 1393 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 3499 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 2145 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 4973 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 5364 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 1749 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 2032 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 35459 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 11610 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 19741 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.48 COc1ccc(C(=O)O)cc1Cl 19130 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 31199 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 1836 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 10868 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 2686 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 3306 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.113 CCOC1=CC=C([N+](=O)[O-])C=C1 3190 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.113 COCC1=CC=C(B(O)O)C=C1 29543 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 3143 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 25951 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.256 CN(C)C1=CC=C(N(C)C)C=C1 35746 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 17209 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.452 COC1=CC(Br)=C(C(F)F)C=C1 31147 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 31150 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 30466 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 4149 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 1781 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 14030 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 15367 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 28648 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 4965 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 2548 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 4139 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 28384 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 11856 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 29252 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 5365 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 18895 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 3271 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 22230 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 9651 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 22162 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 31333 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 18485 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 31254 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 7137 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.71 CCCOC1=CC=C(C=O)C=C1 20260 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.71 COC1=CC=C(COCCl)C=C1 24122 [0,2,0,0,0,0|0,0,0]=2 713 B12R1.71 CSC1=CC=C(OCCN)C=C1 19160 [0,2,0,0,0,0|0,1,0]=3 714 B12R1.71 O=CC1=CC=C(OCCO)C=C1 35274 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 2640 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 31426 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 11235 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.116 CCOC1=CC=C(CC#N)C=C1 4163 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 3178 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 9560 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.116 COCC1=CC=C(COC)C=C1 9024 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.116 OCCC1=CC=C(CCO)C=C1 25448 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 26112 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 31493 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [0,2,0,0,0,0|0,0,0]=2 728 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 17011 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 13109 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 2176 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.78 COC1=CC(CN)=C(OC)C=C1 7396 [0,2,0,0,0,0|0,0,0]=2 738 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.301 COC1=C(C)C=C(C#N)C=C1C 28742 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.301 COC1=C(C)C=C(C=O)C=C1C 2637 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 30923 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.301 COC1=CC(C)=C(CBr)C(C)=C1 26237 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.301 COC1=CC(C)=C(OC)C(C)=C1 3043 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.301 COC1=CC(Cl)=C(C#N)C(Cl)=C1 28736 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 28409 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.301 COC1=CC(F)=C(C#N)C(F)=C1 4764 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.301 COC1=CC(F)=C(C=O)C(F)=C1 14782 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.301 COC1=CC(F)=C(CBr)C(F)=C1 31337 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O 21946 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.450 COC1=CC(Br)=C(OC)C=C1Br 16840 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.450 COC1=CC(C)=C(C=O)C=C1C 4208 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.450 COC1=CC(F)=C(C#N)C=C1F 30813 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.450 COC1=CC(F)=C(C=O)C=C1F 17005 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.450 COC1=CC(F)=C(OC)C=C1F 3040 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.450 COC1=CC(N)=C(C#N)C=C1Cl 30829 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.450 COC1=CC(N)=C(OC)C=C1Cl 4366 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.653 COC1=C(Br)C(Br)=C(OC)C=C1 11890 [0,2,0,0,0,0|0,0,0]=2 763 B12R1.653 COC1=C(C)C(C)=C(C=O)C=C1 8143 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.653 COC1=C(F)C(F)=C(C#N)C=C1 10693 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.653 COC1=C(O)C(Cl)=C(C=O)C=C1 27576 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.2 COC1=C(Br)C(C)=CC=C1 31146 [0,0,1,1,0,0|2,0,0]=4 767 B10R1.2 COC1=C(C)C(C)=CC=C1 4114 [0,0,1,1,0,0|1,0,1]=4 768 B12R2.44 COC1=CC2=C(C=C1)N=CN2 7662 [0,1,0,1,0,0|1,0,1]=4 769 B12R2.44 COC1=CC2=C(C=CO2)C=C1 33547 [0,1,0,1,0,0|1,0,1]=4 770 B12R2.44 COC1=CC2=C(C=CS2)C=C1 27294 [0,1,0,1,0,0|1,0,1]=4 771 B12R2.44 COC1=CC=C2C=CNC2=C1 1701 [0,1,0,1,0,0|1,0,1]=4 772 B12R2.44 COC1=CC=C2CCNC2=C1 20088 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.44 COC1=CC=C2CCNC2=C1 8317 [0,1,0,1,0,0|1,0,0]=3 774 B12R2.44 COC1=CC=C2CNCC2=C1 17685 [0,1,0,1,0,0|1,0,0]=3 775 B12R2.44 COC1=CC=C2CNCC2=N1 23499 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.44 COC1=CC=C2NC=CC2=C1 7432 [0,1,0,1,0,0|1,0,1]=4 777 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.44 COC1=CC=C2NN=CC2=C1 11084 [0,1,0,1,0,0|1,0,1]=4 779 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.1 COC1=CC=C(O)O1 22256 [1,0,0,0,1,0|1,0,0]=3 788 B10R1.172 CNC1=CC=CC(NC)=C1 21395 [0,0,0,0,1,1|2,0,0]=4 789 B10R1.172 CNC1=CC=CC(OC)=N1 15374 [0,0,0,0,1,1|2,0,0]=4 790 B10R1.172 COC1=CC(C#N)=CN=C1 16544 [0,0,0,0,1,1|2,0,0]=4 791 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [0,0,0,0,1,1|2,0,0]=4 792 B10R1.172 COC1=CC(CN)=NC=C1 27624 [0,0,0,0,1,1|2,0,0]=4 793 B10R1.172 COC1=CC(CN)=NC=C1 34573 [0,0,0,0,1,1|2,0,0]=4 794 B10R1.172 COC1=CC(CO)=NC=C1 9295 [0,0,0,0,1,1|2,0,0]=4 795 B10R1.172 COC1=CC(OC)=NC=N1 7178 [0,0,0,0,1,1|1,0,0]=3 796 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [0,0,0,0,1,1|2,0,0]=4 797 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [0,0,0,0,1,1|2,0,0]=4 798 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [0,0,0,0,1,1|2,0,0]=4 799 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [0,0,0,0,1,1|2,0,0]=4 800 B10R1.172 COC1=CC=CC(CN)=C1 7401 [0,0,0,0,1,1|2,0,0]=4 801 B10R1.172 COC1=CC=CC(CO)=C1 3095 [0,0,0,0,1,1|2,0,0]=4 802 B10R1.172 COC1=CC=CC(OC)=N1 29237 [0,0,0,0,1,1|1,0,0]=3 803 B10R1.172 COC1=CC=CC(SC)=C1 10653 [0,0,0,0,1,1|0,1,0]=3 804 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [0,0,0,0,1,1|2,0,0]=4 805 B10R1.172 COC1=CN=CC(OC)=C1 18112 [0,0,0,0,1,1|0,0,0]=2 806 B10R1.172 COC1=CN=CC(OC)=N1 8614 [0,0,0,0,1,1|1,0,0]=3 807 B10R1.172 COC1=NC(OC)=NC=C1 7104 [0,0,0,0,1,1|1,0,0]=3 808 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [0,0,0,0,1,1|2,0,0]=4 809 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [0,0,0,0,1,1|2,0,0]=4