0 B8R1.3 CC1=CC=C(C)C=C1 X8103 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 CC1=CC=C(O)C=C1 7878AF [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 NC1=CN=C(F)N=C1 Z1674 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 NC1=CN=C(N)C=C1 N556 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 [O-][N+]1=CC=C(Br)C=N1 Y9521 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 BrC1=CC=NN=C1 X0257 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.3 ClC1=CN=NC=C1 8831AA [1,0,0,0,0,0|3,0,0]=4 7 B7R1.3 ClC1=NC=CC=C1 7352AF [1,0,0,0,0,0|2,0,0]=3 8 B7R1.3 ClC1=NC=NC=C1 X3235 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.3 FC1=CC=NC=N1 Z6041 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.3 FC1=NC=CC=C1 7353AF [1,0,0,0,0,0|2,0,0]=3 11 B7R1.3 NC1=CC=CC=C1 2738AC [1,0,0,0,0,0|1,0,0]=2 12 B7R1.3 NC1=CC=CC=C1 5126AF [1,0,0,0,0,0|1,0,0]=2 13 B7R1.3 O=C1N=CC=CN1 9421AJ [1,0,0,0,0,0|2,0,1]=4 14 B7R1.3 OC1=CC=CC=C1 8781AL [1,0,0,0,0,0|0,0,0]=1 15 B7R1.3 [O-][N+]1=CC=CC=C1 7360AF [1,0,0,0,0,0|1,0,1]=3 16 B7R1.3 [O-][N+]1=CC=CN=C1 8743AA [1,0,0,0,0,0|2,0,1]=4 17 B9R1.1 C=CC1=CC=C(N)C=C1 2121AA [0,1,0,0,0,0|2,0,0]=3 18 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [0,1,0,0,0,0|3,0,0]=4 22 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [0,1,0,0,0,0|3,0,0]=4 23 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [0,1,0,0,0,0|3,0,0]=4 24 B9R1.1 COC1=NC=C(C)N=C1 2866AB [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.1 N#CC1=NC=C(Br)C=C1 0012TG [0,1,0,0,0,0|3,0,0]=4 27 B9R1.1 NC1=CC=C(CCl)N=C1 5924AH [0,1,0,0,0,0|3,0,0]=4 28 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 [C-]#[N+]C1=CC=C(F)C=C1 X3553 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.69 BrC1=CN=C(I)C(Br)=C1 Z0594 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=CC(Br)=CN=C1N Z1301 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=CC(I)=NC=C1N 9643AB [0,1,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=CC(N)=C(N)C=N1 3453AC [0,1,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [0,1,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=CC=C(F)N=C1C Y3886 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=CC=C(N)C=C1O I725 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.69 CC1=CN=C(Cl)C=C1C 1648AJ [0,1,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CN=C(F)C=C1C Y3913 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 X3720 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.69 ClC1=CC=C(I)C(I)=C1 X6555 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.69 FC1=CC=C(F)C(F)=N1 4323AB [0,1,0,0,0,0|3,0,0]=4 42 B9R1.69 FC1=CN=C(Cl)C(I)=C1 4120AC [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 NC1=C(S)C=C(Br)C=C1 1980AL [0,1,0,0,0,0|2,0,0]=3 44 B9R1.69 NC1=CC(Cl)=CN=C1F N241 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.69 NC1=CC(I)=C(Cl)N=C1 Y9127 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.69 NC1=CC=C(I)C=C1O 7023AC [0,1,0,0,0,0|2,0,0]=3 47 B9R1.69 NC1=CC=C(O)C(O)=C1 5570AA [0,1,0,0,0,0|1,0,0]=2 48 B9R1.69 NC1=NC=C(O)C=C1Cl 4975AH [0,1,0,0,0,0|2,0,0]=3 49 B9R1.69 O=C1NC(O)=CC=C1Cl 0905AA [0,1,0,0,0,0|2,0,0]=3 50 B9R1.69 O=C1NC=C(O)C(=O)N1 Z1836 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.69 OC1=C(Cl)C=C(Cl)C=C1 8996AJ [0,1,0,0,0,0|1,0,0]=2 52 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 7598AF [0,1,0,0,0,0|2,0,0]=3 53 B9R1.69 OC1=CC(I)=C(I)C=C1 4595AA [0,1,0,0,0,0|1,0,0]=2 54 B9R1.69 OC1=CN=C(F)C=C1Br Y3899 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.69 OC1=NN=C(O)C(Cl)=C1 7729AB [0,1,0,0,0,0|2,0,0]=3 56 B9R1.69 [O-][N+]1=C(Cl)C=CC(O)=C1 1295AC [0,1,0,0,0,0|2,0,0]=3 57 B7R0.6 O=C(O)\C=C/C(=O)O O758 [0,0,1,0,0,0|2,0,0]=3 58 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [0,0,1,0,0,0|2,0,1]=4 59 B7R1.2 C=C1C=CC(=O)O1 1661AA [0,0,0,0,1,0|2,0,1]=4 60 B7R1.2 CC1=COC(C)=C1 Y6577 [0,0,0,0,1,0|3,0,0]=4 61 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [0,0,0,0,1,0|3,0,0]=4 62 B7R1.2 NC1=CC=C(Cl)S1 X8823 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.2 BrCC1=CN=CC=C1 0834AC [1,1,0,0,0,0|2,0,0]=4 64 B8R1.2 BrCC1=NC=CC=C1 8088AB [1,1,0,0,0,0|2,0,0]=4 65 B8R1.2 CNC1=CC=CC=C1 7883AF [1,1,0,0,0,0|1,0,0]=3 66 B8R1.2 NNC1=CC=CC=C1 5128AF [1,1,0,0,0,0|1,0,0]=3 67 B8R1.2 O=CC1=CC=NC=C1 7668AH [1,1,0,0,0,0|1,0,1]=4 68 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [1,1,0,0,0,0|0,0,1]=3 69 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [1,1,0,0,0,0|0,0,0]=2 70 B8R1.4 BrC1=CC(Br)=NC=C1 4920AH [1,1,0,0,0,0|2,0,0]=4 71 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [1,1,0,0,0,0|2,0,0]=4 72 B8R1.4 FC1=CC=CC(F)=N1 9031AJ [1,1,0,0,0,0|2,0,0]=4 73 B8R1.4 OC1=CC(O)=NN=C1 8905AA [1,1,0,0,0,0|2,0,0]=4 74 B8R1.4 OC1=CC=CC(O)=C1 O780 [1,1,0,0,0,0|0,0,0]=2 75 B8R1.4 OC1=CC=CC(O)=N1 5119AF [1,1,0,0,0,0|1,0,0]=3 76 B8R1.4 [O-][N+]1=CN=CC(O)=C1 4036AC [1,1,0,0,0,0|2,0,0]=4 77 B8R1.5 CC1=C(Br)C=CN=C1 N224 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.5 ClC1=CC=CC=C1Cl 9816AF [1,1,0,0,0,0|1,0,0]=3 79 B8R1.5 NC1=C(F)C=CN=C1 Y6940 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.5 NC1=C(S)C=NC=C1 7377AB [1,1,0,0,0,0|1,1,0]=4 81 B8R1.5 NC1=CC=CN=C1Cl 1676AJ [1,1,0,0,0,0|2,0,0]=4 82 B8R1.5 NC1=CN=CC=C1Br 2730AJ [1,1,0,0,0,0|2,0,0]=4 83 B8R1.5 OC1=C(Br)C=NC=N1 W4195 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.5 OC1=C(F)C=CN=C1 1350AA [1,1,0,0,0,0|1,0,0]=3 85 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [0,2,0,0,0,0|1,0,0]=3 87 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.1 COCC1=NC=C(Br)C=C1 Y3500 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.1 FC1=CC=C(C[Mg]Cl)C=C1 8149AJ [0,2,0,0,0,0|2,0,0]=4 90 B10R1.1 O=CCC1=CC=C(O)C=C1 Y9945 [0,2,0,0,0,0|0,0,1]=3 91 B10R1.3 CCC1=CC=C(CCl)C=C1 O299 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.3 CCC1=CC=C([Mg]Br)C=C1 8146AJ [0,2,0,0,0,0|2,0,0]=4 93 B10R1.3 COC1=CC=C(NN)C=N1 8106AA [0,2,0,0,0,0|2,0,0]=4 94 B10R1.3 COC1=CN=C(CBr)C=C1 0719AB [0,2,0,0,0,0|2,0,0]=4 95 B10R1.3 CSC1=CC=C([Mg]Br)C=C1 8189AJ [0,2,0,0,0,0|1,1,0]=4 96 B10R1.3 N#CC1=CC=C(NN)C=C1 9272AA [0,2,0,0,0,0|2,0,0]=4 97 B10R1.3 [C-]#[N+]C1=CC=C(C#N)C=C1 5628AH [0,2,0,0,0,0|2,0,0]=4 98 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [0,2,0,0,0,0|2,0,0]=4 99 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [0,2,0,0,0,0|2,0,0]=4 100 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [0,2,0,0,0,0|1,0,0]=3 103 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [0,2,0,0,0,0|2,0,0]=4 104 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.13 NC1=CC=C(B(O)O)C=C1 9495AJ [0,2,0,0,0,0|1,0,0]=3 106 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,2,0,0,0,0|1,0,0]=3 107 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,2,0,0,0,0|2,0,0]=4 108 B10R1.13 NC1=CN=C(B(O)O)C=C1 4198AA [0,2,0,0,0,0|2,0,0]=4 109 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [0,2,0,0,0,0|1,0,1]=4 110 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [0,2,0,0,0,0|1,0,0]=3 111 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 9031AD [0,2,0,0,0,0|2,0,0]=4 112 B10R1.25 CC1=C(N=O)C=CC(O)=C1 7860AF [0,2,0,0,0,0|0,0,1]=3 113 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.25 CC1=CC=C(NN)C(Br)=C1 V7214 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.25 CC1=CC=C(NN)C(C)=C1 1052AL [0,2,0,0,0,0|2,0,0]=4 116 B10R1.25 COC1=CC=C(C)N=C1F Y3820 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.25 COC1=CC=C(N)C=C1N X6229 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.25 COC1=CN=C(F)C=C1C Y3908 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.25 COC1=NC=C(I)C=C1C Z0408 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.176 C=CC1=CC=C(O)C(O)=C1 9031AB [0,2,0,0,0,0|1,0,0]=3 121 B10R1.176 CC1=C(Cl)C=C(CCl)C=C1 L514 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.176 CC1=C(F)C=C(CO)C=C1 6496AD [0,2,0,0,0,0|1,0,0]=3 123 B10R1.176 CC1=C(F)N=CC(CO)=C1 Y3984 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.176 CC1=CC([Mg]Br)=CC=C1F 8147AJ [0,2,0,0,0,0|2,0,0]=4 125 B10R1.176 CNC1=CC=C(Cl)C(Cl)=C1 W6130 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.176 COC1=CC(C)=C(C)C=C1 6400AB [0,2,0,0,0,0|1,0,0]=3 127 B10R1.176 COC1=CN=C(F)C(C)=C1 Y3921 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.176 COC1=C[N+]([O-])=C(C)C=C1 Z3601 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.176 COC1=NC(C)=C(I)C=C1 Y2073 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.176 CSC1=CC=C(C)C(O)=C1 Y3611 [0,2,0,0,0,0|1,1,0]=4 131 B10R1.176 CSC1=CC=C(F)C(F)=C1 Z0048 [0,2,0,0,0,0|1,1,0]=4 132 B10R1.176 CSC1=CC=C(F)C(O)=C1 Y3947 [0,2,0,0,0,0|1,1,0]=4 133 B10R1.176 NC1=CC(C=O)=CC=C1Cl Y6396 [0,2,0,0,0,0|1,0,1]=4 134 B10R1.176 O=C1C=C(C[O-])OC=C1O 6783AL [0,2,0,0,0,0|1,0,1]=4 135 B10R1.176 OCC1=CC(S)=C(O)C=N1 Y3275 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.22 CC1=C(Br)C=C(O)C=C1Br 6800AA [0,2,0,0,0,0|1,0,0]=3 137 B10R1.22 CC1=CC(Cl)=C(Br)C(Cl)=C1 Z0324 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.22 CC1=CC(Cl)=CC(Cl)=C1Cl 8345AB [0,2,0,0,0,0|2,0,0]=4 139 B10R1.22 CC1=CC(F)=C(O)C(Br)=C1 Z1318 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.22 CC1=CC(I)=C(N)C(C)=C1 5611AB [0,2,0,0,0,0|2,0,0]=4 141 B10R1.22 CC1=CC(N)=CC(C)=C1N 1203AC [0,2,0,0,0,0|2,0,0]=4 142 B10R1.22 OC1=C(Cl)C(Cl)=CC(Cl)=C1 1866AL [0,2,0,0,0,0|2,0,0]=4 143 B10R1.30 C#CC1=CC(Cl)=CC=C1Cl Y8945 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.30 C=CC1=CC(Cl)=CC=C1Cl 1914AL [0,2,0,0,0,0|2,0,0]=4 145 B10R1.30 CC1=C(CN)C=C(Cl)C=C1 9032AD [0,2,0,0,0,0|2,0,0]=4 146 B10R1.30 CC1=CC(C#N)=C(C)C=C1 6569AA [0,2,0,0,0,0|2,0,0]=4 147 B10R1.30 CC1=CC([Mg]Br)=C(C)C=C1 7835AJ [0,2,0,0,0,0|2,0,0]=4 148 B10R1.30 CC1=CC=C(C)C(CN)=C1 W9616 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [0,2,0,0,0,0|1,0,0]=3 150 B10R1.30 COC1=CC(N)=CC=C1I X6495 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.30 CSC1=CC(C)=CC=C1Cl Z1327 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.30 CSC1=CC(C)=CC=C1F Z1248 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.30 CSC1=CC(I)=CC=C1Br Y3558 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 8112AJ [0,2,0,0,0,0|2,0,0]=4 155 B10R1.118 CC1=CC(C)=C(O)C=C1C 8101AF [0,2,0,0,0,0|1,0,0]=3 156 B10R1.118 NC1=C(F)C=C(I)C(F)=C1 1397AJ [0,2,0,0,0,0|2,0,0]=4 157 B10R1.118 NC1=C(N)C=C(I)C(I)=C1 2575AJ [0,2,0,0,0,0|2,0,0]=4 158 B10R1.118 OC1=CC(Cl)=C(O)C=C1Cl 2750AC [0,2,0,0,0,0|0,0,0]=2 159 B10R1.118 OC1=CC(I)=C(Br)N=C1Br 8740AC [0,2,0,0,0,0|2,0,0]=4 160 B10R1.119 CC1=C(C)C(C)=C(O)C=C1 9704AL [0,2,0,0,0,0|1,0,0]=3 161 B10R1.119 CC1=C(Cl)C(I)=CC=C1Cl X6577 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.119 CC1=C(Cl)C=CC(N)=C1N 1750AA [0,2,0,0,0,0|2,0,0]=4 163 B10R1.119 CC1=C(F)C=CC(O)=C1F 9902AL [0,2,0,0,0,0|1,0,0]=3 164 B10R1.119 CC1=C(O)C(C)=C(O)C=C1 9685AB [0,2,0,0,0,0|1,0,0]=3 165 B10R1.119 CC1=CC=C(N)C(O)=C1C 7914AD [0,2,0,0,0,0|2,0,0]=4 166 B10R1.119 OC1=C(Br)C=CC(Cl)=C1F Z0307 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.119 OC1=C(Cl)C=CC(Br)=C1Cl Y3745 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.119 OC1=C(F)C=CC(F)=C1O Y1811 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.119 OC1=CC=C(F)C(F)=C1Cl Y3725 [0,2,0,0,0,0|1,0,0]=3 170 B6R1.2 BrC1=CC=C[Se]1 7160AA [1,0,0,0,1,0|2,0,0]=4 171 B6R1.2 BrC1=CNC=C1 3908AC [1,0,0,0,1,0|2,0,0]=4 172 B6R1.2 ClC1=CNC=C1 X3741 [1,0,0,0,1,0|2,0,0]=4 173 B6R1.2 IC1=CC=CO1 Z5539 [1,0,0,0,1,0|2,0,0]=4 174 B6R1.2 NC1=CC=CS1 9765AB [1,0,0,0,1,0|2,0,0]=4 175 B6R1.2 NC1=CNC=C1 2960AB [1,0,0,0,1,0|2,0,0]=4 176 B6R1.2 NC1=CSC=C1 W3870 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 OC1=CC=CS1 X5173 [1,0,0,0,1,0|1,0,0]=3 178 B6R1.2 [Mn]C1=CC=CC1 X6016 [1,0,0,0,1,0|1,0,1]=4