0 B8R1.4 CC1=CC(=O)NC=C1 X3603 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,0,0,0,0,0|2,0,0]=2 5 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 ClC1=NC=CC(Br)=N1 V4511 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.4 NC1=CC(O)=CN=C1 X9269 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,0,0,0,0,0|4,0,0]=4 14 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.4 NC1=CN=CC(N)=N1 Z4125 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.4 NC1=NC(=O)NN=C1 3530AF [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 NC1=NN=CC(Cl)=C1 Y1523 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,0,0,0,0,0|3,0,0]=3 19 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,0,0,0,0,0|4,0,0]=4 20 B7R1.3 CC1=CC=CN=N1 X0232 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 C[N+]1=CC=CC=C1 1581AB [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 ClC1=NN=CC=C1 X0225 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 FC1=CN=CN=C1 W7798 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 SC1=NC=CN=C1 2178AE [1,0,0,0,0,0|1,0,0]=2 26 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 C#CC1=CN=CC(Cl)=C1 X7082 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [0,1,0,0,0,0|2,0,1]=4 29 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,1,0,0,0,0|2,0,1]=4 30 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,1,0,0,0,0|1,0,1]=3 31 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,1,0,0,0,0|3,0,0]=4 33 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,0|1,0,0]=2 34 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.2 CC1=CC(CO)=NC=C1 Z4739 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.2 CC1=CC=CC(CBr)=N1 Y9700 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.2 CC1=CC=CC(NN)=N1 W6763 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,0,0,0|0,0,1]=2 39 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,0|0,0,0]=1 40 B9R1.2 CC1=NC(C#N)=NC=C1 2189AC [0,1,0,0,0,0|2,0,1]=4 41 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,0|3,0,0]=4 43 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,0|1,0,0]=2 44 B9R1.2 CNC1=NC(N)=NC=C1 0200AA [0,1,0,0,0,0|3,0,0]=4 45 B9R1.2 COC1=CC(=O)NN=C1 X9569 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,1,0,0,0,0|1,0,0]=2 47 B9R1.2 COC1=CN=CC(Br)=N1 Y5654 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.2 COC1=CN=CC(F)=C1 Y3600 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.2 COC1=CN=CC(I)=C1 1202AF [0,1,0,0,0,0|2,0,0]=3 50 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [0,1,0,0,0,0|2,0,0]=3 51 B9R1.2 COC1=NC(=O)C=CN1 W4926 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,0,0,0|0,0,0]=1 53 B9R1.2 CSC1=CC=CC(O)=C1 1026AE [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,1,0,0,0,0|0,0,0]=1 55 B9R1.2 CSC1=NC=CC(Br)=N1 W9785 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 ClCC1=CC(Cl)=CN=C1 2237AJ [0,1,0,0,0,0|2,0,0]=3 57 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,0|2,0,0]=3 59 B9R1.2 FC1=CC=CC(CBr)=N1 Z3784 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.2 N#CC1=CC(F)=CN=C1 V1360 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,1,0,0,0,0|2,0,1]=4 63 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,0|2,0,0]=3 65 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 NCC1=NC(F)=CC=C1 4862AA [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [0,1,0,0,0,0|2,0,1]=4 70 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [0,1,0,0,0,0|1,0,1]=3 72 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,0|1,0,0]=2 76 B9R1.3 CC1=C(Br)C=NC=C1Cl 4926AA [0,1,0,0,0,0|3,0,0]=4 77 B9R1.3 CC1=C(Br)C=NC=C1I Y3949 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.3 CC1=C(N)C(I)=CC=C1 2097AL [0,1,0,0,0,0|3,0,0]=4 79 B9R1.3 CC1=CC=CC(I)=C1F X4532 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.3 CC1=CN=CC(N)=C1N Y7493 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.3 ClC1=CN=CC(Cl)=C1Br Y8799 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.3 FC1=CN=CC(Br)=C1Br X9659 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.3 FC1=CN=CC(F)=C1Br Y7015 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.3 NC1=C(Cl)C(Cl)=CN=C1 Z5291 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.3 NC1=C(I)C=NC=C1Br 2621AL [0,1,0,0,0,0|3,0,0]=4 86 B9R1.3 NC1=C(I)C=NC=C1I Y4881 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.3 NC1=C(N)C(Cl)=CN=C1 X5162 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.3 NC1=C(O)C(Br)=CN=C1 Z3801 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.3 NC1=CN=CC(N)=C1N Y9631 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.34 CC1=CC(=O)C=C(O)O1 0884AC [0,1,0,0,0,0|3,0,0]=4 91 B9R1.34 CC1=CC(=O)OC(C)=C1 1366AQ [0,1,0,0,0,0|3,0,0]=4 92 B9R1.34 CC1=CC(Br)=CC(N)=C1 Y4844 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.34 CC1=CC(Br)=CC(N)=N1 7408AB [0,1,0,0,0,0|2,0,0]=3 94 B9R1.34 CC1=CC(Br)=NC(F)=C1 V3898 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.34 CC1=CC(C)=NC(I)=N1 5427AD [0,1,0,0,0,0|3,0,0]=4 96 B9R1.34 CC1=CC(I)=CC(Br)=C1 Z7791 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.34 CC1=CC(N)=NC(N)=N1 Z4305 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.34 CC1=CC(N)=NC(S)=N1 Z2808 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 Z8243 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.34 CC1=NC(N)=NC(S)=C1 Z2491 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.34 ClC1=CC(Br)=NC(Br)=C1 Z8107 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.34 NC1=CC(Cl)=CC(Br)=N1 3462AJ [0,1,0,0,0,0|3,0,0]=4 103 B9R1.34 NC1=CC(Cl)=CC(Cl)=N1 3158AA [0,1,0,0,0,0|3,0,0]=4 104 B9R1.34 NC1=CC(Cl)=CC(N)=N1 Z2866 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.34 NC1=CC(F)=NC(F)=C1 9692AB [0,1,0,0,0,0|3,0,0]=4 106 B9R1.69 BrC1=C(I)C=C(I)C=N1 4413AC [0,1,0,0,0,0|3,0,0]=4 107 B9R1.69 BrC1=CC(I)=CN=C1Br 5612AC [0,1,0,0,0,0|3,0,0]=4 108 B9R1.69 BrC1=NC(Br)=C(I)C=C1 0773AA [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 CC1=C(Br)C=C(O)C=N1 Y8080 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 CC1=C(C)N=C(N)N=C1 0723AD [0,1,0,0,0,0|3,0,0]=4 111 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 CC1=C(Cl)C=CC(O)=N1 Z6713 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.69 CC1=C(Cl)N=CC(N)=N1 6250AB [0,1,0,0,0,0|1,0,0]=2 114 B9R1.69 CC1=C(I)C=CC(Br)=N1 5952AH [0,1,0,0,0,0|2,0,0]=3 115 B9R1.69 CC1=C(S)C=CC(F)=C1 0479AF [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [0,1,0,0,0,0|1,0,0]=2 117 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 CC1=CC(Cl)=CN=C1N 0759AQ [0,1,0,0,0,0|2,0,0]=3 119 B9R1.69 CC1=CC(I)=C(Br)N=C1 0052AC [0,1,0,0,0,0|2,0,0]=3 120 B9R1.69 CC1=CC(I)=C(Cl)N=C1 8904AB [0,1,0,0,0,0|2,0,0]=3 121 B9R1.69 CC1=CC(I)=CN=C1F Z0364 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.69 CC1=CC(N)=C(N)C=C1 1704AA [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 CC1=CC(N)=CC=C1N 7752AF [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 CC1=CC(O)=CN=C1F Z0308 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.69 CC1=CC(S)=CC=C1F X8388 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 CC1=CC=C(C)C(S)=C1 L103 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 CC1=CC=C(I)C(N)=N1 W9073 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.69 CC1=CC=C(N)C(C)=C1 5318AL [0,1,0,0,0,0|2,0,0]=3 132 B9R1.69 CC1=CC=C(N)C(O)=N1 Z8999 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=CC=C(O)C(Cl)=N1 V5467 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 CC1=CC=C(O)C(F)=N1 N386 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.69 CC1=CC=C(O)C(N)=N1 W4287 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.69 CC1=CN=C(Cl)C(C)=C1 Y9908 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.69 CC1=CN=C(F)C(O)=C1 Y3761 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 CC1=CN=C(N)C(N)=C1 W4808 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.69 CC1=CN=C(O)C(N)=C1 Z8991 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=NC(Br)=NC=C1Br 8816AA [0,1,0,0,0,0|3,0,0]=4 142 B9R1.69 CC1=NC(Br)=NC=C1N 4739AA [0,1,0,0,0,0|3,0,0]=4 143 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.69 CC1=NC(N)=C(N)C=C1 3859AB [0,1,0,0,0,0|2,0,0]=3 145 B9R1.69 CC1=NC=C(Br)C(Cl)=N1 3458AC [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 CC1=NC=C(Br)C(O)=N1 W3643 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.69 CC1=NC=C(Cl)N=C1Cl 5741AJ [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 CC1=NC=C(F)C(O)=N1 W3234 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.69 CC1=NC=C(N)C(C)=N1 P337 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.69 CC1=NC=C(N)N=C1Br 1542AC [0,1,0,0,0,0|2,0,0]=3 153 B9R1.69 ClC1=CC(I)=CN=C1Cl 6849AC [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 ClC1=CC=C(Br)N=C1Cl Z6659 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 3570AA [0,1,0,0,0,0|2,0,0]=3 156 B9R1.69 FC1=C(Br)C=C(I)C=N1 0784AC [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 FC1=CC(I)=CN=C1F Y4246 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 FC1=CN=C(Br)C(I)=C1 3880AA [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 FC1=CN=C(F)C(Br)=C1 Z8275 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 FC1=NC=C(Cl)C=C1I Z0988 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.69 NC1=C(Cl)C=CC(Cl)=N1 3372AB [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 NC1=CC(Br)=C(N)N=C1 4847AC [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 NC1=CC(Cl)=CN=C1Cl W8461 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 NC1=CC(Cl)=CN=C1O Z9125 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 NC1=CC=C(F)C(N)=N1 Z5416 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 NC1=CC=C(I)N=C1Cl Z6600 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 NC1=CN=C(Cl)C(F)=C1 4835AA [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 NC1=CN=C(Cl)C(N)=C1 5029AH [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 NC1=NC(Cl)=CN=C1Cl 7076AA [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 NC1=NC(F)=C(I)C=C1 4144AC [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 NC1=NC(I)=C(Br)C=C1 4251AA [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 NC1=NC=C(Cl)N=C1N 4922AA [0,1,0,0,0,0|2,0,0]=3 173 B9R1.69 NC1=NC=C(I)C=C1I Z2484 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 OC1=C(I)C=C(I)C=N1 6239AA [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 OC1=CC(Cl)=CN=C1Cl 5073AE [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 OC1=CC(Cl)=CN=C1F X8506 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 OC1=CC=C(Br)N=C1Cl V6405 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 OC1=CC=C(Br)N=C1F Z0880 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 OC1=CC=C(Cl)N=C1Br Z6487 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 OC1=CC=C(Cl)N=C1Cl Z0663 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 OC1=CC=C(I)C(F)=N1 4145AC [0,1,0,0,0,0|3,0,0]=4 182 B9R1.69 OC1=CC=C(I)N=C1I 4532AD [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 OC1=NC(Br)=C(Br)C=C1 V2516 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 OC1=NC(Cl)=C(Br)C=C1 Z8661 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,0,1,0,0,0|3,0,0]=4 186 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [0,0,0,0,1,0|3,0,0]=4 187 B7R1.2 BrC1=NC=C(I)S1 X8877 [0,0,0,0,1,0|3,0,0]=4 188 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,0,0,0,1,0|3,0,0]=4 189 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,0,0,0,1,0|2,0,0]=3 190 B7R1.2 CC1=CN=C(N)N1 0439AC [0,0,0,0,1,0|1,0,1]=3 191 B7R1.2 CC1=CN=C(N)N1 3105AA [0,0,0,0,1,0|1,0,1]=3 192 B7R1.2 CC1=CN=C(N)N1 X7979 [0,0,0,0,1,0|1,0,1]=3 193 B7R1.2 CC1=COC(C)=N1 5323AL [0,0,0,0,1,0|1,0,0]=2 194 B7R1.2 CC1=CSC(N)=C1 5740AC [0,0,0,0,1,0|3,0,0]=4 195 B7R1.2 CC1=NC(Br)=CN1 W3545 [0,0,0,0,1,0|1,0,1]=3 196 B7R1.2 CC1=NC(Br)=NN1 8783AD [0,0,0,0,1,0|2,0,0]=3 197 B7R1.2 CC1=NC(Cl)=NN1 4748AD [0,0,0,0,1,0|2,0,0]=3 198 B7R1.2 CC1=NC(N)=CS1 7776AC [0,0,0,0,1,0|2,0,0]=3 199 B7R1.2 CC1=NC=C(N)S1 Z5289 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.2 CC1=NN(C)N=C1 8968AB [0,0,0,0,1,0|1,0,0]=2 201 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,0,0,0,1,0|2,0,0]=3 202 B7R1.2 CC1=NNC(Br)=C1 Z4899 [0,0,0,0,1,0|3,0,0]=4 203 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,0,1,0|3,0,0]=4 204 B7R1.2 CC1=NOC(N)=N1 1713AE [0,0,0,0,1,0|2,0,0]=3 205 B7R1.2 CC1=NSC(Br)=N1 7937AB [0,0,0,0,1,0|2,0,0]=3 206 B7R1.2 CC1=NSC(N)=C1 1797AB [0,0,0,0,1,0|3,0,0]=4 207 B7R1.2 CC1=NSC(N)=N1 3695AA [0,0,0,0,1,0|2,0,0]=3 208 B7R1.2 CN1C=CC(Cl)=N1 9664AB [0,0,0,0,1,0|2,0,0]=3 209 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,0,0,0,1,0|2,0,0]=3 210 B7R1.2 CN1C=NC(Cl)=N1 5746AE [0,0,0,0,1,0|2,0,0]=3 211 B7R1.2 CN1C=NC(I)=C1 V8393 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.2 CN1C=NC(N)=C1 W8501 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.2 CN1C=NC(N)=N1 6721AB [0,0,0,0,1,0|2,0,0]=3 214 B7R1.2 ClC1=NC(Br)=CS1 V9244 [0,0,0,0,1,0|3,0,0]=4 215 B7R1.2 IC1=CNC(I)=N1 6473AD [0,0,0,0,1,0|2,0,1]=4 216 B7R1.2 IC1=COC(I)=N1 0733AQ [0,0,0,0,1,0|3,0,0]=4 217 B7R1.2 NC1=CN=C(Br)S1 Y1249 [0,0,0,0,1,0|3,0,0]=4 218 B7R1.2 NC1=CSC(Br)=N1 W6192 [0,0,0,0,1,0|3,0,0]=4 219 B7R1.2 NC1=NNC(Br)=N1 5045AB [0,0,0,0,1,0|3,0,0]=4 220 B7R1.2 [S-]C1=NSC([S-])=N1 0246AF [0,0,0,0,1,0|3,0,0]=4 221 B7R1.4 BrC1=CSC=C1I 1469AC [0,0,0,0,1,0|3,0,0]=4 222 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,0,0,0,1,0|3,0,0]=4 223 B7R1.4 CC1=C(C)OC=N1 X5138 [0,0,0,0,1,0|3,0,0]=4 224 B7R1.4 CC1=C(Cl)SN=N1 5149AE [0,0,0,0,1,0|3,0,0]=4 225 B7R1.4 CC1=C(N)ON=C1 4334AB [0,0,0,0,1,0|2,0,0]=3 226 B7R1.4 CC1=CCOC1=O 7576AD [0,0,0,0,1,0|3,0,0]=4 227 B7R1.4 CC1=CNC=C1C 2295AL [0,0,0,0,1,0|0,0,1]=2 228 B7R1.4 CC1=CNN=C1N 9912AB [0,0,0,0,1,0|2,0,1]=4 229 B7R1.4 CC1=NN=CN1N 8795AD [0,0,0,0,1,0|3,0,0]=4 230 B7R1.4 CC1=NOC=C1N 4428AB [0,0,0,0,1,0|3,0,0]=4 231 B7R1.4 CC1C=NNC1=O 1336AQ [0,0,0,0,1,0|2,0,1]=4 232 B7R1.4 CN1C=NC=C1N Y1665 [0,0,0,0,1,0|2,0,0]=3 233 B7R1.4 CN1C=NN=C1Br 8496AA [0,0,0,0,1,0|3,0,0]=4 234 B7R1.4 CN1N=NC=C1N 4755AF [0,0,0,0,1,0|3,0,0]=4 235 B6R0.1 CC(\C=N\O)=N/O P687 [1,0,1,0,0,0|2,0,0]=4 236 B6R1.1 C1=CC=NC=C1 9032AJ [2,0,0,0,0,0|1,0,0]=3 237 B6R1.1 C1=CC=NC=C1 I569 [2,0,0,0,0,0|1,0,0]=3 238 B6R1.1 C1=CN=NC=C1 9247AB [2,0,0,0,0,0|2,0,0]=4 239 B6R1.1 C1=NN=CN=N1 3034AH [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 BrCC1=NC=NC=C1 6571AA [1,1,0,0,0,0|2,0,0]=4 241 B8R1.2 C=CC1=NC=CN=C1 R581 [1,1,0,0,0,0|0,0,1]=3 242 B8R1.2 CNC1=CN=CN=C1 5460AB [1,1,0,0,0,0|2,0,0]=4 243 B8R1.2 COC1=CC=NN=C1 Z5489 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.2 ClCC1=NN=CC=C1 2587AB [1,1,0,0,0,0|2,0,0]=4 245 B8R1.2 ICC1=CN=CC=C1 5715AJ [1,1,0,0,0,0|1,0,0]=3 246 B8R1.2 NCC1=CC=CC=C1 7149AL [1,1,0,0,0,0|2,0,0]=4 247 B8R1.2 NCC1=CC=NC=N1 Y7101 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.2 NCC1=CC=NN=C1 X9904 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.2 NCC1=CN=NC=C1 0175AP [1,1,0,0,0,0|2,0,0]=4 250 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [1,1,0,0,0,0|0,0,0]=2 252 B8R1.3 CC1=CN=C(C)N=C1 1431AB [1,1,0,0,0,0|2,0,0]=4 253 B8R1.3 CC1=CN=C(I)C=C1 5573AJ [1,1,0,0,0,0|1,0,0]=3 254 B8R1.3 CC1=NC=C(F)C=N1 7849AB [1,1,0,0,0,0|2,0,0]=4 255 B8R1.3 NC1=CN=C(N)C=C1 X9372 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.3 NC1=CN=C(N)C=N1 1979AC [1,1,0,0,0,0|1,0,0]=3 257 B8R1.3 NC1=CN=C(O)C=C1 X9224 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.3 NC1=NC=C(O)C=C1 X4178 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.5 CC1=C(Br)C=CN=C1 A900 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.5 CC1=C(F)C=CN=C1 2798AB [1,1,0,0,0,0|1,0,0]=3 262 B8R1.5 CC1=C(I)C=NC=N1 W9510 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 CC1=C(N)N=CC=C1 3663AB [1,1,0,0,0,0|1,0,0]=3 264 B8R1.5 CC1=C(O)N=CN=C1 Z4298 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 CC1=C(S)C=CC=C1 7880AF [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 CC1=CC=CC=C1O Z3651 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.5 CC1=NN=CN=C1O 5164AD [1,1,0,0,0,0|1,0,0]=3 268 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 FC1=C(Cl)C=NC=C1 V8604 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 FC1=NC=CN=C1F 4974AE [1,1,0,0,0,0|1,0,0]=3 271 B8R1.5 FC1=NC=CN=C1I 6988AD [1,1,0,0,0,0|1,0,0]=3 272 B8R1.5 IC1=C(I)N=CC=C1 0321AF [1,1,0,0,0,0|2,0,0]=4 273 B8R1.5 NC1=C(O)C=NC=C1 5564AH [1,1,0,0,0,0|2,0,0]=4 274 B8R1.5 NC1=CC=CN=C1Br 1627AJ [1,1,0,0,0,0|2,0,0]=4 275 B8R1.5 NC1=CC=CN=C1F 1722AJ [1,1,0,0,0,0|2,0,0]=4 276 B8R1.5 SC1=NC=CC=C1Br V7160 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.1 CC1=CC(CBr)=NO1 Y7388 [0,1,0,0,1,0|2,0,0]=4 278 B8R1.1 CC1=CC(CN)=NO1 8858AH [0,1,0,0,1,0|2,0,0]=4 279 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,1,0,0,1,0|1,0,1]=4 280 B8R1.1 CC1=CC=C(C=O)N1 3298AA [0,1,0,0,1,0|0,0,2]=4 281 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,0,1,0|1,0,0]=3 282 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,0,1,0|1,0,0]=3 283 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,0,1,0|1,0,0]=3 284 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,0,1,0|0,0,1]=3 285 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,0,1,0|1,0,1]=4 286 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 CC1=CSC(NN)=N1 7074AA [0,1,0,0,1,0|2,0,0]=4 288 B8R1.1 CC1=CSC(NN)=N1 8798AH [0,1,0,0,1,0|2,0,0]=4 289 B8R1.1 CC1=NC(CBr)=NO1 4500AF [0,1,0,0,1,0|1,0,0]=3 290 B8R1.1 CC1=NC(CCl)=CS1 2148AC [0,1,0,0,1,0|1,0,0]=3 291 B8R1.1 CC1=NC(CN)=NN1 3635AD [0,1,0,0,1,0|1,0,0]=3 292 B8R1.1 CC1=NC(CO)=NO1 8569AD [0,1,0,0,1,0|1,0,0]=3 293 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,1,0,0,1,0|1,0,0]=3 294 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,0,1,0|1,0,0]=3 295 B8R1.1 CC1=NN=C(CN)O1 8854AH [0,1,0,0,1,0|2,0,0]=4 296 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,1,0,0,1,0|2,0,0]=4 297 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,1,0,0,1,0|2,0,0]=4 298 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,1,0,0,1,0|1,0,0]=3 300 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,0,1,0|2,0,0]=4 301 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 CCC1=NC(Br)=CS1 2688AJ [0,1,0,0,1,0|2,0,0]=4 304 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 CCN1C=CC(C)=N1 9609AD [0,1,0,0,1,0|1,0,0]=3 307 B8R1.1 CCN1C=CC(I)=N1 X6246 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.1 CCN1C=NC(N)=N1 3203AE [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,1,0,0,1,0|2,0,0]=4 310 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,0,1,0|1,0,0]=3 311 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,0,1,0|1,0,0]=3 312 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,0,1,0|1,0,0]=3 313 B8R1.1 CN1C=NC(CCl)=N1 X9907 [0,1,0,0,1,0|1,0,0]=3 314 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,1,0,0,1,0|2,0,0]=4 315 B8R1.1 CNC1=NC(C)=CS1 V4374 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.1 CNC1=NN=C(C)S1 3670AL [0,1,0,0,1,0|2,0,0]=4 317 B8R1.1 COC1=NC=C(Br)S1 Y9132 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.1 CSC1=CN=C(N)S1 6948AC [0,1,0,0,1,0|2,0,0]=4 320 B8R1.1 CSC1=NC(Br)=CS1 Y8174 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.1 CSC1=NC(Br)=NS1 X6379 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,0,1,0|1,0,0]=3 323 B8R1.1 CSC1=NNC(Br)=N1 4966AD [0,1,0,0,1,0|2,0,0]=4 324 B8R1.1 ClC1=NC(CBr)=CO1 Y5526 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,1,0,0,1,0|2,0,0]=4 326 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,1,0,0,1,0|2,0,0]=4 327 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,1,0,0,1,0|2,0,0]=4 328 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,1,0,0,1,0|2,0,0]=4 330 B8R1.1 OCC1=COC(Br)=N1 1802AA [0,1,0,0,1,0|2,0,0]=4 331 B8R1.1 OCC1=COC(Cl)=N1 Y5525 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.1 OCC1=CSC(Cl)=N1 7297AB [0,1,0,0,1,0|2,0,0]=4 333 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,1,0,0,1,0|2,0,0]=4 334 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,1,0,0,1,0|2,0,0]=4 335 B8R1.18 CC1=C(Br)N=C(N)S1 3656AA [0,1,0,0,1,0|2,0,0]=4 336 B8R1.18 CC1=C(Br)SC(Br)=N1 Y5554 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.18 CC1=C(C)OC(N)=N1 6278AB [0,1,0,0,1,0|2,0,0]=4 338 B8R1.18 CC1=C(Cl)SC(N)=N1 V6431 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,1,0,0,1,0|1,0,0]=3 340 B8R1.18 CC1=NC(Br)=C(Br)N1 V0765 [0,1,0,0,1,0|1,0,1]=4 341 B8R1.18 CC1=NC(Br)=NN1C 5747AE [0,1,0,0,1,0|2,0,0]=4 342 B8R1.18 CC1=NC(Cl)=NN1C 5748AE [0,1,0,0,1,0|2,0,0]=4 343 B8R1.18 CC1=NC(N)=NN1C 1073AE [0,1,0,0,1,0|2,0,0]=4 344 B8R1.18 CC1=NN(C)C(Cl)=N1 5750AE [0,1,0,0,1,0|1,0,0]=3 345 B8R1.18 CC1=NN(C)C=C1Cl 5020AD [0,1,0,0,1,0|1,0,0]=3 346 B8R1.18 CC1=NN(C)N=C1Br 6070AC [0,1,0,0,1,0|1,0,0]=3 347 B8R1.18 CN1N=C(N)C=C1Br 4711AC [0,1,0,0,1,0|2,0,0]=4 348 B8R1.50 CC1=CC=C(C)N1C 4413AL [0,1,0,0,1,0|0,0,1]=3 349 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,1,0,0,1,0|2,0,0]=4 350 B8R1.50 CC1=NNC(C)=C1C 5490AE [0,1,0,0,1,0|2,0,0]=4 351 B8R1.50 CC1=NNC(C)=C1N V6403 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [0,1,0,0,1,0|2,0,0]=4 353 B8R1.11 CC1=C(C=O)SN=C1 4154AC [0,1,0,0,1,0|1,0,1]=4 354 B8R1.11 CC1=C(CN)SN=N1 9796AE [0,1,0,0,1,0|2,0,0]=4 355 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,1,0,0,1,0|2,0,0]=4 356 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,0,1,0|2,0,0]=4 357 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,0,1,0|2,0,0]=4 358 B8R1.11 CC1=C(CO)SN=N1 W3555 [0,1,0,0,1,0|2,0,0]=4 359 B8R1.11 CC1=CSC=C1C#N 1373AC [0,1,0,0,1,0|1,0,1]=4 360 B8R1.11 CN1C=CC=C1CO 7329AB [0,1,0,0,1,0|2,0,0]=4 361 B8R1.11 CN1C=NN=C1CCl 3904AD [0,1,0,0,1,0|2,0,0]=4 362 B8R1.11 CN1C=NN=C1CO W7249 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.2 CC1=C(F)C(CO)=CC=C1 Z0495 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.2 CC1=C(O)C(CO)=CC=C1 9889AL [0,2,0,0,0,0|2,0,0]=4 365 B10R1.2 CCC1=CC=CC(C)=C1C Y4741 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.2 COC1=CC=CC(C)=C1F Z1163 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.2 COC1=CN=CC(N)=C1C 2214AC [0,2,0,0,0,0|2,0,0]=4 368 B10R1.2 COC1=CN=CC(N)=C1I 8003AC [0,2,0,0,0,0|2,0,0]=4 369 B10R1.8 CC1=CC(Br)=CC(CCl)=C1 Z6819 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.8 CC1=CC(C)=CC(CCl)=C1 2613AB [0,2,0,0,0,0|2,0,0]=4 371 B10R1.8 CC1=CC(C)=NC(CN)=N1 0164AD [0,2,0,0,0,0|2,0,0]=4 372 B10R1.8 CC1=CC(C)=NC(CO)=N1 7790AB [0,2,0,0,0,0|2,0,0]=4 373 B10R1.8 CC1=CC(C=O)=CC(C)=N1 9540AA [0,2,0,0,0,0|1,0,0]=3 374 B10R1.8 CC1=CC(CBr)=NC(C)=C1 4858AH [0,2,0,0,0,0|1,0,0]=3 375 B10R1.8 CC1=CC(CBr)=NC(C)=C1 Y5556 [0,2,0,0,0,0|1,0,0]=3 376 B10R1.8 CC1=CC(CCl)=CC(C)=N1 3621AA [0,2,0,0,0,0|1,0,0]=3 377 B10R1.8 CC1=CC(CN)=NC(C)=C1 Y4026 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.8 CC1=CC(CO)=CC(C)=N1 Y5316 [0,2,0,0,0,0|1,0,0]=3 379 B10R1.8 CC1=CC(CO)=NC(C)=C1 Y5315 [0,2,0,0,0,0|1,0,0]=3 380 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 6878AC [0,2,0,0,0,0|1,0,1]=4 381 B10R1.8 CC1=CC(NN)=NC(C)=N1 Y7529 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.8 CC1=CC(O)=CC(CO)=C1 9062AB [0,2,0,0,0,0|2,0,0]=4 383 B10R1.8 CC1=NC(CCl)=CC(O)=N1 4371AB [0,2,0,0,0,0|2,0,0]=4 384 B10R1.8 CCC1=CC(C)=CC(C)=C1 6770AL [0,2,0,0,0,0|2,0,0]=4 385 B10R1.8 CCC1=CC(C)=CC(O)=C1 0816AC [0,2,0,0,0,0|2,0,0]=4 386 B10R1.8 CCC1=NC(C)=NC(Cl)=C1 4939AC [0,2,0,0,0,0|2,0,0]=4 387 B10R1.8 CNC1=CC(C)=NC(C)=C1 0035AB [0,2,0,0,0,0|1,0,0]=3 388 B10R1.8 COC1=CC(Cl)=CC(Cl)=N1 Z4004 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.8 COC1=NC(C)=CC(Br)=C1 1674AA [0,2,0,0,0,0|1,0,0]=3 390 B10R1.8 CSC1=CC(C)=CC(C)=C1 Z0768 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.8 CSC1=NC(C)=CC(N)=N1 Z3050 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [0,2,0,0,0,0|2,0,0]=4 393 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [0,2,0,0,0,0|2,0,0]=4 394 B10R1.10 CC1=NC(CCN)=CC=C1 X7037 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [0,2,0,0,0,0|2,0,0]=4 396 B10R1.10 CCNC1=CN=CC(Cl)=N1 V9758 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.10 CCNC1=NC(Br)=CC=C1 V7492 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.10 CCOC1=CC(N)=CN=C1 7168AB [0,2,0,0,0,0|2,0,0]=4 399 B10R1.10 CCOC1=CC=CC(N)=N1 Y4042 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.10 CCOC1=NC(Cl)=CN=C1 6461AA [0,2,0,0,0,0|1,0,0]=3 401 B10R1.10 CNCC1=NC(C)=CC=C1 0779AC [0,2,0,0,0,0|1,0,0]=3 402 B10R1.10 N#CCC1=CC(Br)=CN=C1 Y9000 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.10 N#CCC1=NC(Cl)=CC=C1 Y6377 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [0,2,0,0,0,0|2,0,0]=4 405 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [0,2,0,0,0,0|2,0,0]=4 406 B10R1.30 CC1=CC(C#N)=C(Cl)N=C1 V7203 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.30 CC1=CC(CO)=C(F)C=C1 2077AL [0,2,0,0,0,0|2,0,0]=4 408 B10R1.30 CC1=CC=C(Br)C(C#N)=N1 1148AC [0,2,0,0,0,0|1,0,1]=4 409 B10R1.30 CC1=CC=C(C)C(C#N)=N1 0507AC [0,2,0,0,0,0|1,0,1]=4 410 B10R1.30 CC1=CN=C(Br)C(C#N)=C1 0135AC [0,2,0,0,0,0|1,0,1]=4 411 B10R1.30 CC1=CN=C(C)C(C#N)=N1 1801AB [0,2,0,0,0,0|0,0,1]=3 412 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 Y9301 [0,2,0,0,0,0|1,0,0]=3 413 B10R1.30 CC1=CN=C(F)C(C=O)=C1 Y3740 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.30 CC1=CN=C(N)C(C#N)=N1 9376AA [0,2,0,0,0,0|0,0,1]=3 415 B10R1.30 CNC1=NC(Br)=CN=C1N Y6292 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.30 CNC1=NC(C)=CC=C1N W3389 [0,2,0,0,0,0|1,0,0]=3 417 B10R1.30 CNC1=NC(Cl)=CC=C1N 4858AC [0,2,0,0,0,0|2,0,0]=4 418 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.30 COC1=C(Cl)N=CC(N)=C1 W8292 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [0,2,0,0,0,0|2,0,0]=4 422 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [0,2,0,0,0,0|2,0,0]=4 424 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.30 COC1=NC(Br)=CN=C1Br Y5449 [0,2,0,0,0,0|1,0,0]=3 426 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.30 N#CC1=NC(Br)=CN=C1Cl 4853AA [0,2,0,0,0,0|1,0,1]=4 429 B10R1.30 NC1=NC=C(Br)N=C1C=O X9389 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.30 NC1=NC=C(Cl)N=C1C=O Z5290 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl 6377AA [0,2,0,0,0,0|1,0,1]=4 432 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 Y6584 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.30 OCC1=CC(Br)=CN=C1Br Y3885 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.30 OCC1=CC(Br)=CN=C1F Y3912 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.30 OCC1=CC(Cl)=CN=C1F Z0985 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.30 OCC1=NC(Br)=CC=C1Cl 2557AD [0,2,0,0,0,0|2,0,0]=4 437 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,2,0,0,0,0|2,0,0]=4 439 B10R1.113 CC(=O)C1=NC(F)=CC=C1 6832AB [0,2,0,0,0,0|2,0,0]=4 440 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.113 CC1=CC([N+](=O)[O-])=CN=C1 Y9848 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.113 CC1=CC=CC(B([O-])O)=N1 X1799 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [0,2,0,0,0,0|2,0,0]=4 445 B10R1.113 CC1=NC(C(C)N)=CC=C1 9513AH [0,2,0,0,0,0|1,0,0]=3 446 B10R1.113 CN(C)C1=CC=CC(Cl)=N1 8284AC [0,2,0,0,0,0|2,0,0]=4 447 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [0,2,0,0,0,0|2,0,0]=4 448 B10R1.172 CCC1=CC=CC(CO)=N1 Z4253 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.172 CCC1=NC(CC)=NC=C1 5339AJ [0,2,0,0,0,0|2,0,0]=4 450 B10R1.172 CNC1=CC=CC(NC)=C1 4379AJ [0,2,0,0,0,0|2,0,0]=4 451 B10R1.172 CNC1=CC=CC(OC)=C1 V4822 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.172 COC1=CC=NC(CCl)=N1 3803AC [0,2,0,0,0,0|2,0,0]=4 453 B10R1.172 COC1=CCC=C(OC)C1 0616AQ [0,2,0,0,0,0|2,0,0]=4 454 B10R1.172 COC1=CN=CC(C#N)=N1 Y5274 [0,2,0,0,0,0|0,0,1]=3 455 B10R1.172 COC1=NC=CC(CN)=N1 Y5675 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.172 CSC1=CN=CC(SC)=C1 V7422 [0,2,0,0,0,0|1,0,0]=3 457 B10R1.172 ClCC1=CC=CC(CCl)=N1 5395AL [0,2,0,0,0,0|1,0,0]=3 458 B10R1.172 N#CC1=NC(CBr)=CC=C1 1014AA [0,2,0,0,0,0|1,0,1]=4 459 B10R1.172 NCC1=CC=CC(CO)=N1 Y9256 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.172 O=CC1=CC=CC(CF)=N1 0646AB [0,2,0,0,0,0|1,0,1]=4 461 B10R1.172 OCC1=NC(CBr)=CC=C1 5297AB [0,2,0,0,0,0|1,0,0]=3 462 B10R1.176 CC1=C(N)C=CC(C#N)=N1 6202AA [0,2,0,0,0,0|1,0,1]=4 463 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [0,2,0,0,0,0|2,0,0]=4 464 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [0,2,0,0,0,0|1,0,0]=3 465 B10R1.176 CC1=CC(C#N)=CN=C1C 3057AJ [0,2,0,0,0,0|1,0,1]=4 466 B10R1.176 CC1=CC(C=O)=CN=C1Br Z0993 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [0,2,0,0,0,0|2,0,0]=4 469 B10R1.176 CC1=CC(CO)=CN=C1Cl Z1025 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.176 CC1=CC=C(C#N)N=C1C 8796AB [0,2,0,0,0,0|1,0,1]=4 471 B10R1.176 CC1=NC(C#N)=CC=C1F 5403AC [0,2,0,0,0,0|1,0,1]=4 472 B10R1.176 CC1=NC(C=O)=CC=C1Br Z0161 [0,2,0,0,0,0|1,0,1]=4 473 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [0,2,0,0,0,0|1,0,1]=4 474 B10R1.176 CC1=NC(NN)=CC=C1Br V5729 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [0,2,0,0,0,0|2,0,0]=4 476 B10R1.176 COC1=CC=C(Br)C(Br)=N1 5173AC [0,2,0,0,0,0|2,0,0]=4 477 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 2890AC [0,2,0,0,0,0|2,0,0]=4 478 B10R1.176 COC1=CC=C(N)C(C)=C1 Z9736 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.176 COC1=CC=C(N)C(N)=N1 Q058 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.176 COC1=CN=C(C)C(Br)=C1 X3672 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.176 COC1=CN=C(Cl)C(Br)=C1 Z6642 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.176 COC1=CN=C(Cl)C(C)=C1 Z0824 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.176 COC1=CN=C(Cl)C(Cl)=C1 X5152 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.176 COC1=CN=C(F)C(I)=C1 Y3900 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.176 COC1=NC(C)=C(N)C=N1 1763AJ [0,2,0,0,0,0|2,0,0]=4 486 B10R1.176 CSC1=CC=C(Br)C(C)=C1 Z1061 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.176 CSC1=NC(C)=C(Br)C=C1 Z0023 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 2742AF [0,2,0,0,0,0|2,0,0]=4 489 B10R1.176 OCC1=CC=C(O)C(Br)=N1 5393AD [0,2,0,0,0,0|2,0,0]=4 490 B10R1.22 CC1=CC(Br)=C(N)C(Br)=N1 V7407 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.22 CC1=CC(C)=C(Br)C(C)=N1 W9924 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.22 CC1=CC(C)=C(Cl)C(Br)=C1 Z1120 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.22 CC1=CC(C)=C(F)C(C)=C1 2394AE [0,2,0,0,0,0|2,0,0]=4 494 B10R1.22 CC1=CC(F)=CC(C)=C1Cl 7485AA [0,2,0,0,0,0|2,0,0]=4 495 B10R1.22 CC1=CC(N)=CC(C)=C1C 5093AC [0,2,0,0,0,0|2,0,0]=4 496 B10R1.22 CC1=C[N+]([O-])=CC(C)=C1N Z2806 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.22 CC1=NC(Br)=C(O)C(Br)=C1 1468AB [0,2,0,0,0,0|2,0,0]=4 498 B10R1.22 CC1=NC(C)=C(I)C(Cl)=N1 2861AC [0,2,0,0,0,0|2,0,0]=4 499 B10R1.22 CC1=NC(N)=C(Cl)C(C)=N1 6398AL [0,2,0,0,0,0|2,0,0]=4 500 B10R1.119 CC1=C(Br)C(C)=C(N)C=C1 0185AC [0,2,0,0,0,0|2,0,0]=4 501 B10R1.119 CC1=CC=C(I)C(C)=C1C 5697AB [0,2,0,0,0,0|2,0,0]=4 502 B10R1.119 CC1=CC=C(I)C(C)=C1N 2279AC [0,2,0,0,0,0|2,0,0]=4 503 B10R1.245 CC1=CN=CC(C)=C1C#N Y9003 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.245 CNC1=C(C)C=CC=C1C 9464AE [0,2,0,0,0,0|2,0,0]=4 505 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [0,2,0,0,0,0|2,0,0]=4 506 B10R1.25 CC1=CC(Br)=CN=C1CN Z0423 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.25 CC1=CC(Br)=CN=C1NN Z8425 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [0,2,0,0,0,0|1,0,0]=3 509 B10R1.25 CC1=CC(Cl)=CN=C1C#N Z4212 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.25 CC1=CC(O)=CN=C1C#N 1437AB [0,2,0,0,0,0|2,0,0]=4 511 B10R1.25 CC1=CC=C(NN)C(C)=C1 1053AL [0,2,0,0,0,0|2,0,0]=4 512 B10R1.25 CC1=CN=C(C#N)C(Br)=C1 W6422 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.25 CC1=CN=C(C#N)C(C)=C1 Y4016 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.25 CC1=NC(C)=C(CO)C=N1 0806AC [0,2,0,0,0,0|2,0,0]=4 516 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.25 CC1=NC=C(CN)C(C)=N1 4205AB [0,2,0,0,0,0|2,0,0]=4 518 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.25 COC1=C(C)N=C(C)N=C1 6536AA [0,2,0,0,0,0|2,0,0]=4 521 B10R1.25 COC1=NC=C(C)C=C1Cl W9916 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.25 COC1=NC=C(N)C=C1C X9137 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.25 NC1=NC(Cl)=CN=C1C=O 4744AC [0,2,0,0,0,0|2,0,0]=4 528 B10R1.118 CC1=C(Cl)C=C(Cl)C(O)=N1 V4446 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.118 CC1=C(Cl)N=C(Cl)C(=O)O1 4900AA [0,2,0,0,0,0|2,0,0]=4 530 B10R1.118 CC1=C(I)C=C(I)C(N)=N1 0049AA [0,2,0,0,0,0|2,0,0]=4 531 B10R1.118 CC1=C(I)N=C(Cl)C(O)=C1 0892AD [0,2,0,0,0,0|2,0,0]=4 532 B10R1.118 CC1=CC(C)=C(N)C=C1C 8105AF [0,2,0,0,0,0|2,0,0]=4 533 B10R1.118 CC1=NC(Cl)=C(Cl)C=C1Cl V4447 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.118 CC1=NC(N)=C(Br)C=C1Cl V9603 [0,2,0,0,0,0|2,0,0]=4 535 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,0,1,1,0,0|2,0,0]=4 536 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,0,1,1,0,0|2,0,0]=4 537 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,0,1,0,1,0|2,0,0]=4 538 B6R1.2 BrC1=CC=NS1 7852AB [1,0,0,0,1,0|2,0,0]=4 539 B6R1.2 BrC1=NC=NS1 Z4751 [1,0,0,0,1,0|2,0,0]=4 540 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,1,0|1,0,1]=4 541 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,1,0|1,0,0]=3 542 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,1,0|2,0,0]=4 543 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,1,0|1,0,0]=3 544 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,1,0|1,0,0]=3 545 B6R1.2 CN1C=NN=N1 X6249 [1,0,0,0,1,0|2,0,0]=4 546 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,1,0|2,0,0]=4 547 B6R1.2 IC1=CC=NN1 Z6311 [1,0,0,0,1,0|2,0,0]=4 548 B6R1.2 IC1=NC=CS1 X7912 [1,0,0,0,1,0|2,0,0]=4 549 B6R1.2 NC1=CN=CN1 5028AA [1,0,0,0,1,0|1,0,1]=4 550 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,1,0|1,0,1]=4 551 B6R1.2 NC1=CSN=C1 W7611 [1,0,0,0,1,0|2,0,0]=4 552 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,1,0|2,0,0]=4 553 B6R1.2 OC1=CSC=C1 8873AA [1,0,0,0,1,0|2,0,0]=4