0 B7R1.3 BrC1=CC=NC=N1 2731AJ [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 BrC1=CN=NC=C1 Z1972 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,0,0,0|1,0,2]=3 3 B7R1.3 C[N+]1=CC=CC=C1 1581AB [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 C[N+]1=CC=CC=C1 K323 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 ClC1=NN=CC=C1 X0225 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 FC1=CN=CN=C1 W7798 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 F[N+]1=CC=CC=C1 4861AL [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 IC1=CN=CN=C1 W5347 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 NC1=CC=CC=C1 7089AL [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 O=C1C=CCCO1 X2978 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 O=C1C=CCOC1 6867AC [0,0,0,0,0,0|1,0,3]=4 12 B7R1.3 [O-][N+]1=CC=NC=C1 1770AB [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [0,0,0,0,0,0|0,1,0]=1 14 B6R1.1 C1=CC=NC=C1 9032AJ [1,0,0,0,0,0|1,0,0]=2 15 B6R1.1 C1=CC=NC=C1 I569 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,1,0,0,0,0|3,0,0]=4 17 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [0,1,0,0,0,0|0,1,0]=2 18 B8R1.2 C=CC1=NC=CN=C1 R581 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.2 CNC1=CN=CN=C1 5460AB [0,1,0,0,0,0|3,0,0]=4 21 B8R1.2 COC1=CC=NN=C1 Z5489 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 FCC1=CC=NC=C1 2557AL [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 N#CC1=CC=NN=C1 X2036 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 NCC1=CC=CC=C1 7149AL [0,1,0,0,0,0|1,0,0]=2 27 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 NCC1=CC=NN=C1 X9904 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 NCC1=CN=NC=C1 0175AP [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 NCC1=NC=NC=C1 9281AB [0,1,0,0,0,0|3,0,0]=4 32 B8R1.2 NCC1=NN=CC=C1 5795AC [0,1,0,0,0,0|3,0,0]=4 33 B8R1.2 NNC1=CC=NC=C1 0864AQ [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 NNC1=NN=CC=C1 5599AB [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 NNC1=NN=CC=C1 X0228 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.2 O=CC1=CN=NC=C1 7044AB [0,1,0,0,0,0|2,0,1]=4 37 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 O=CC1=NC=CN=C1 X7048 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 OCC1=CC=NC=N1 W5525 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 OCC1=CN=NC=C1 7045AB [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 OCC1=NC=CN=C1 W7769 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 OCC1=NN=CC=C1 W5830 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,1,0,0,0,0|1,1,0]=3 44 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.3 CC1=CN=C(C)N=C1 1431AB [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [0,1,0,0,0,0|2,1,0]=4 47 B8R1.3 CC1=NN=C(C)C=C1 X3917 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.3 FC1=NC=C(I)C=N1 0786AC [0,1,0,0,0,0|3,0,0]=4 49 B8R1.3 NC1=CN=C(Br)N=C1 W7027 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.3 NC1=CN=C(N)C=C1 X9372 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 NC1=NC=C(O)C=C1 V8126 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.3 NC1=NC=C(O)C=C1 X4178 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.3 NC1=NNC(=O)C=C1 0249AA [0,1,0,0,0,0|2,0,1]=4 54 B8R1.3 S=C1N=CC(Cl)=CN1 0391AQ [0,1,0,0,0,0|2,1,0]=4 55 B8R1.3 SC1=NN=C(Cl)C=C1 2350AE [0,1,0,0,0,0|2,1,0]=4 56 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [0,1,0,0,0,0|0,0,1]=2 57 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.4 CC1=CC(I)=NC=C1 1274AB [0,1,0,0,0,0|2,0,0]=3 60 B8R1.4 CC1=CC(N)=CC=C1 5136AF [0,1,0,0,0,0|1,0,0]=2 61 B8R1.4 CC1=CC(N)=NN=C1 7108AA [0,1,0,0,0,0|3,0,0]=4 62 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,1,0,0,0,0|2,0,0]=3 64 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [0,1,0,0,0,0|2,0,0]=3 65 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [0,1,0,0,0,0|2,0,0]=3 66 B8R1.4 ClC1=NC(Br)=NC=C1 4405AC [0,1,0,0,0,0|3,0,0]=4 67 B8R1.4 FC1=CC(Cl)=NC=N1 7159AB [0,1,0,0,0,0|3,0,0]=4 68 B8R1.4 IC1=CN=CC(I)=C1 7672AB [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 NC1=CC(=O)NN=C1 W9199 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.4 NC1=CC(Br)=CC=C1 J70044 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [0,1,0,0,0,0|2,0,0]=3 72 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.4 NC1=CC(I)=CN=C1 8472AD [0,1,0,0,0,0|2,0,0]=3 74 B8R1.4 NC1=CC(I)=NC=N1 W6793 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.4 NC1=CC=CC(F)=C1 W4217 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,1,0,0,0,0|0,0,0]=1 78 B8R1.4 NC1=CC=NC(F)=N1 2081AL [0,1,0,0,0,0|3,0,0]=4 79 B8R1.4 NC1=CN=CC(F)=N1 3111AD [0,1,0,0,0,0|3,0,0]=4 80 B8R1.4 NC1=CN=CC(N)=N1 W6186 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [0,1,0,0,0,0|2,0,0]=3 82 B8R1.4 NC1=NN=CC(Cl)=C1 Y1523 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,1,0,0,0,0|1,0,0]=2 84 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,1,0,0,0,0|0,1,0]=2 86 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.5 CC1=C(I)C=NC=N1 W9510 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.5 CC1=C(N)N=CC=C1 3663AB [0,1,0,0,0,0|2,0,0]=3 90 B8R1.5 CC1=CC=CC=C1O Z3651 [0,1,0,0,0,0|0,0,0]=1 91 B8R1.5 CC1=CC=NN=C1Cl V2362 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.5 CC1=CC=NN=C1N V8933 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [0,1,0,0,0,0|3,0,0]=4 94 B8R1.5 CC1=NC=CC=C1I 7575AA [0,1,0,0,0,0|2,0,0]=3 95 B8R1.5 CC1=NC=NC=C1N B201 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.5 CC1=NN=CN=C1O 5164AD [0,1,0,0,0,0|3,0,0]=4 97 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [0,1,0,0,0,0|2,0,0]=3 98 B8R1.5 ClC1=C(Cl)C=NN=C1 Y3243 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.5 ClC1=CC=CN=C1I W8392 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.5 ClC1=CC=NN=C1Cl W3654 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.5 FC1=C(F)C=NC=C1 2808AC [0,1,0,0,0,0|2,0,0]=3 102 B8R1.5 FC1=NC=CN=C1F 4974AE [0,1,0,0,0,0|3,0,0]=4 103 B8R1.5 IC1=C(I)N=CC=C1 0321AF [0,1,0,0,0,0|2,0,0]=3 104 B8R1.5 NC1=CC=CN=C1Br 1627AJ [0,1,0,0,0,0|2,0,0]=3 105 B8R1.5 NC1=CC=CN=C1F 1722AJ [0,1,0,0,0,0|2,0,0]=3 106 B8R1.5 NC1=CC=NN=C1Cl W6981 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.5 NC1=CC=NN=C1N 9138AB [0,1,0,0,0,0|3,0,0]=4 108 B8R1.5 NC1=CC=NNC1=O 8057AB [0,1,0,0,0,0|2,0,1]=4 109 B8R1.5 NC1=CN=CN=C1O 5791AH [0,1,0,0,0,0|2,0,0]=3 110 B8R1.5 NC1=CN=NC=C1Cl 7539AB [0,1,0,0,0,0|3,0,0]=4 111 B8R1.5 NC1=CN=NC=C1N 2824AB [0,1,0,0,0,0|3,0,0]=4 112 B8R1.5 NC1=NC=NC=C1O 7434AB [0,1,0,0,0,0|2,0,0]=3 113 B8R1.5 O=C1OC=CC=C1O W6519 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.5 OC1=C(Cl)C=NN=C1 Y3271 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.5 OC1=C(O)C=NC=C1 Y6808 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.5 OC1=NC=CN=C1O Y4736 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 Z4162 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.4 C=CCCC(=C)C 5696AL [0,0,1,0,0,0|1,0,2]=4 119 B6R0.4 C=C\C=C\C(=O)O Z4964 [0,0,1,0,0,0|1,0,0]=2 120 B6R0.6 C=CCC\C=C\C 4658AL [0,0,1,0,0,0|1,0,2]=4 121 B6R1.2 BrC1=CC=NS1 7852AB [0,0,0,0,1,0|3,0,0]=4 122 B6R1.2 BrC1=NSC=C1 Z4879 [0,0,0,0,1,0|3,0,0]=4 123 B6R1.2 CC1=CON=C1 9884AB [0,0,0,0,1,0|3,0,0]=4 124 B6R1.2 CC1=NC=CO1 1470AB [0,0,0,0,1,0|3,0,0]=4 125 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,0,1,0|3,0,0]=4 126 B6R1.2 ClC1=NC=CS1 W5278 [0,0,0,0,1,0|3,0,0]=4 127 B6R1.2 NC1=CN=CN1 0957AP [0,0,0,0,1,0|3,0,0]=4 128 B6R1.2 NC1=CN=CN1 5028AA [0,0,0,0,1,0|3,0,0]=4 129 B6R1.2 NC1=CNC=N1 B191 [0,0,0,0,1,0|3,0,0]=4 130 B6R1.2 NC1=CON=C1 X8883 [0,0,0,0,1,0|3,0,0]=4 131 B6R1.2 NC1=CSN=C1 2850AJ [0,0,0,0,1,0|3,0,0]=4 132 B6R1.2 NN1C=CC=N1 5269AB [0,0,0,0,1,0|3,0,0]=4 133 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,0,1,0|1,0,2]=4 134 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,0,1,0|1,0,2]=4 135 B6R1.2 OC1=NC=CS1 W8616 [0,0,0,0,1,0|2,0,0]=3 136 B5R0.1 C=CCC(=C)C 5694AL [1,0,1,0,0,0|1,0,1]=4 137 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,1,0,0,0|2,0,0]=4 138 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,1,0,0,0|2,0,0]=4 139 B5R0.1 O=C(O)\C=C\I V7047 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.3 C=CCOC(=O)C=C 7691AF [0,1,1,0,0,0|0,0,2]=4 141 B7R0.7 C=COC(=O)\C=C\C E081 [0,1,1,0,0,0|0,0,2]=4 142 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [0,1,1,0,0,0|1,0,1]=4 143 B7R1.1 COC1=CC=CO1 2109AL [0,1,0,0,1,0|1,0,0]=3 144 B7R1.1 N#CC1=COC=C1 0818AQ [0,1,0,0,1,0|2,0,0]=4 145 B7R1.1 NCC1=CC=CN1 W7617 [0,1,0,0,1,0|2,0,0]=4 146 B7R1.1 NCC1=CNC=C1 4647AC [0,1,0,0,1,0|2,0,0]=4 147 B7R1.1 NCC1=COC=C1 Y9148 [0,1,0,0,1,0|2,0,0]=4 148 B7R1.1 NCC1=CSC=C1 Z3907 [0,1,0,0,1,0|2,0,0]=4 149 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,1,0,0,1,0|1,0,1]=4 150 B7R1.1 OCC1=CNC=N1 W5446 [0,1,0,0,1,0|2,0,0]=4 151 B7R1.1 OCC1=CON=C1 2836AJ [0,1,0,0,1,0|2,0,0]=4 152 B7R1.1 OCC1=NNC=C1 X6393 [0,1,0,0,1,0|2,0,0]=4 153 B7R1.1 OCN1C=CN=C1 9540AF [0,1,0,0,1,0|2,0,0]=4 154 B7R1.2 BrC1=CC=C(Br)O1 Z5509 [0,1,0,0,1,0|2,0,0]=4 155 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [0,1,0,0,1,0|2,0,0]=4 156 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,1,0,0,1,0|2,0,0]=4 157 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,1,0,0,1,0|2,0,0]=4 158 B7R1.2 CC1=CC=C(N)S1 5777AB [0,1,0,0,1,0|2,0,0]=4 159 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,1,0,0,1,0|2,0,0]=4 160 B7R1.2 CC1=CSC(N)=C1 5740AC [0,1,0,0,1,0|2,0,0]=4 161 B7R1.2 ClC1=CC(Br)=CS1 3619AB [0,1,0,0,1,0|2,0,0]=4 162 B7R1.2 FC1=CSC(Br)=C1 5520AL [0,1,0,0,1,0|2,0,0]=4 163 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,0,1,0|0,0,2]=4 164 B7R1.2 O=C1C=C(O)CN1 6921AB [0,1,0,0,1,0|1,0,1]=4 165 B7R1.2 O=C1C=CC(O)O1 2926AL [0,1,0,0,1,0|1,0,1]=4 166 B7R1.2 OC1=NSC(Cl)=C1 Z4502 [0,1,0,0,1,0|2,0,0]=4 167 B7R1.4 BrC1=C(I)SC=C1 9000AB [0,1,0,0,1,0|2,0,0]=4 168 B7R1.4 BrC1=CSC=C1I 1469AC [0,1,0,0,1,0|2,0,0]=4 169 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,1,0,0,1,0|2,0,0]=4 170 B7R1.4 CC1=CNC=C1C 2295AL [0,1,0,0,1,0|2,0,0]=4 171 B7R1.4 CC1=CSC=C1N 1699AB [0,1,0,0,1,0|2,0,0]=4 172 B7R1.4 NC1=CSC=C1N 2314AC [0,1,0,0,1,0|2,0,0]=4 173 B9R1.5 O=C1C=CC=CC=C1Cl 5558AL [0,1,0,0,0,1|0,0,1]=3 174 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,2,0,0,0,0|2,0,0]=4 175 B9R1.1 C#CC1=CC=C(Cl)N=C1 2313AB [0,2,0,0,0,0|2,0,0]=4 176 B9R1.1 C#CC1=CC=C(I)C=C1 1951AC [0,2,0,0,0,0|1,0,0]=3 177 B9R1.1 C#CC1=CN=C(F)C=C1 3250AC [0,2,0,0,0,0|2,0,0]=4 178 B9R1.1 C#CC1=NC=C(Cl)C=C1 3376AA [0,2,0,0,0,0|2,0,0]=4 179 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [0,2,0,0,0,0|2,0,0]=4 181 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,2,0,0,0,0|0,1,0]=3 182 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,2,0,0,0,0|2,0,0]=4 183 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,2,0,0,0,0|2,0,0]=4 184 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,2,0,0,0,0|2,0,0]=4 185 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [0,2,0,0,0,0|2,0,0]=4 186 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,2,0,0,0,0|1,0,0]=3 187 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,2,0,0,0,0|0,1,0]=3 188 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,2,0,0,0,0|2,0,0]=4 189 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,2,0,0,0,0|1,0,1]=4 190 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [0,2,0,0,0,0|1,0,0]=3 191 B9R1.1 CNC1=CC=C(N)C=C1 F921 [0,2,0,0,0,0|1,0,0]=3 192 B9R1.1 COC1=CC=C(C)N=C1 8055AB [0,2,0,0,0,0|1,0,0]=3 193 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [0,2,0,0,0,0|2,0,0]=4 194 B9R1.1 COC1=CN=C(I)C=N1 6098AC [0,2,0,0,0,0|2,0,0]=4 195 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [0,2,0,0,0,0|1,1,0]=4 196 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,2,0,0,0,0|1,1,0]=4 197 B9R1.1 CSC1=NC=C(O)C=N1 Z4789 [0,2,0,0,0,0|2,0,0]=4 198 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [0,2,0,0,0,0|1,0,0]=3 199 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,2,0,0,0,0|2,0,0]=4 200 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [0,2,0,0,0,0|1,0,0]=3 201 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,2,0,0,0,0|2,0,0]=4 202 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [0,2,0,0,0,0|2,0,0]=4 203 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [0,2,0,0,0,0|0,1,0]=3 204 B9R1.1 N#CC1=CN=C(I)C=C1 V4938 [0,2,0,0,0,0|2,0,0]=4 205 B9R1.1 N#CC1=CN=C(O)C=C1 W9711 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.1 N#CC1=CN=C(O)N=C1 W3842 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.1 N#CC1=NC=C(O)C=N1 4175AB [0,2,0,0,0,0|2,0,0]=4 208 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,2,0,0,0,0|1,0,0]=3 209 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [0,2,0,0,0,0|1,0,0]=3 210 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [0,2,0,0,0,0|0,0,0]=2 211 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [0,2,0,0,0,0|2,0,0]=4 212 B9R1.1 O=C1C=CC(=NCl)C=C1 8527AL [0,2,0,0,0,0|0,0,1]=3 213 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [0,2,0,0,0,0|2,0,0]=4 214 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,2,0,0,0,0|2,0,0]=4 215 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,2,0,0,0,0|1,0,0]=3 216 B9R1.2 BrCC1=CC(Br)=NC=C1 6323AA [0,2,0,0,0,0|2,0,0]=4 217 B9R1.2 C#CC1=CC(Br)=NC=C1 3389AA [0,2,0,0,0,0|2,0,0]=4 218 B9R1.2 C#CC1=CN=CC(Cl)=C1 X7082 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.2 C#CC1=NC=CC(Br)=C1 3384AA [0,2,0,0,0,0|2,0,0]=4 220 B9R1.2 C#CC1=NC=CC(N)=C1 0256AC [0,2,0,0,0,0|2,0,0]=4 221 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [0,2,0,0,0,0|2,0,0]=4 222 B9R1.2 C=CC1=CC(Br)=NC=C1 0785AC [0,2,0,0,0,0|2,0,0]=4 223 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,2,0,0,0,0|1,0,0]=3 224 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,2,0,0,0,0|2,0,0]=4 225 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [0,2,0,0,0,0|2,0,0]=4 226 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [0,2,0,0,0,0|2,0,0]=4 227 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,2,0,0,0,0|2,0,0]=4 228 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,2,0,0,0,0|2,0,0]=4 229 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,2,0,0,0,0|2,0,0]=4 231 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,2,0,0,0,0|2,0,0]=4 232 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,2,0,0,0,0|2,0,0]=4 234 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [0,2,0,0,0,0|1,0,1]=4 236 B9R1.2 CCC1=CC(Br)=NC=C1 Y5042 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,2,0,0,0,0|1,0,0]=3 238 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,2,0,0,0,0|2,0,0]=4 239 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,2,0,0,0,0|2,0,0]=4 240 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [0,2,0,0,0,0|1,0,0]=3 241 B9R1.2 CNC1=CC(O)=NC=N1 2155AA [0,2,0,0,0,0|2,0,0]=4 242 B9R1.2 COC1=CC(=O)NC=C1 W6732 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.2 COC1=CC(=O)NN=C1 X9569 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,2,0,0,0,0|1,0,0]=3 245 B9R1.2 COC1=CN=CC(I)=C1 1202AF [0,2,0,0,0,0|1,0,0]=3 246 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [0,2,0,0,0,0|1,0,0]=3 247 B9R1.2 COC1=C[N+]([O-])=CC=C1 7428AA [0,2,0,0,0,0|1,0,0]=3 248 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,2,0,0,0,0|2,0,0]=4 249 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [0,2,0,0,0,0|1,1,0]=4 250 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [0,2,0,0,0,0|1,1,0]=4 251 B9R1.2 ClC1=CC(CBr)=CC=N1 Y1576 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [0,2,0,0,0,0|2,0,0]=4 253 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,2,0,0,0,0|2,0,0]=4 256 B9R1.2 N#CC1=CC(N)=CC=N1 6862AC [0,2,0,0,0,0|2,0,0]=4 257 B9R1.2 N#CC1=NC=CC(I)=C1 V9049 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [0,2,0,0,0,0|0,0,1]=3 259 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [0,2,0,0,0,0|1,0,0]=3 261 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [0,2,0,0,0,0|0,0,1]=3 262 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,2,0,0,0,0|1,0,1]=4 263 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [0,2,0,0,0,0|1,0,0]=3 264 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,2,0,0,0,0|2,0,0]=4 265 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,2,0,0,0,0|2,0,0]=4 266 B9R1.2 NCC1=CC(Cl)=NC=C1 7154AA [0,2,0,0,0,0|2,0,0]=4 267 B9R1.2 NCC1=CC(F)=NC=C1 Y4072 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [0,2,0,0,0,0|1,0,0]=3 269 B9R1.2 NCC1=CC(N)=NC=C1 5441AJ [0,2,0,0,0,0|2,0,0]=4 270 B9R1.2 NCC1=CC=CC(=O)N1 Y7390 [0,2,0,0,0,0|1,0,1]=4 271 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.2 NCC1=CC=C[N+]([O-])=C1 2361AL [0,2,0,0,0,0|1,0,1]=4 273 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,2,0,0,0,0|2,0,0]=4 274 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [0,2,0,0,0,0|2,0,0]=4 276 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.2 NNC1=CC(F)=NC=C1 V7913 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.2 O=C1C=C(CO)C=CN1 5374AA [0,2,0,0,0,0|1,0,0]=3 279 B9R1.2 O=CC1=CC(F)=NC=C1 X9807 [0,2,0,0,0,0|1,0,1]=4 280 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [0,2,0,0,0,0|1,0,1]=4 281 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,2,0,0,0,0|1,0,1]=4 282 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [0,2,0,0,0,0|1,0,1]=4 283 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,2,0,0,0,0|1,0,0]=3 284 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,2,0,0,0,0|0,0,0]=2 285 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [0,2,0,0,0,0|1,0,0]=3 287 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,2,0,0,0,0|0,0,0]=2 288 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,2,0,0,0,0|2,0,0]=4 289 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,2,0,0,0,0|1,0,0]=3 290 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [0,2,0,0,0,0|2,0,0]=4 292 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [0,2,0,0,0,0|2,0,0]=4 293 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,2,0,0,0,0|1,0,0]=3 295 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,2,0,0,0,0|1,0,1]=4 296 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,2,0,0,0,0|1,0,0]=3 297 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,2,0,0,0,0|2,0,0]=4 298 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,2,0,0,0,0|1,0,0]=3 299 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [0,2,0,0,0,0|2,0,0]=4 302 B9R1.6 N=C(N)C1=CC=NC=C1 4648AC [0,2,0,0,0,0|2,0,0]=4 303 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,2,0,0,0,0|1,0,1]=4 304 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [0,2,0,0,0,0|0,0,1]=3 305 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,2,0,0,0,0|0,0,2]=4 306 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,2,0,0,0,0|1,0,1]=4 307 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,2,0,0,0,0|0,0,1]=3 308 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,2,0,0,0,0|0,0,0]=2 309 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 N230 [0,2,0,0,0,0|1,0,1]=4 310 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [0,2,0,0,0,0|1,0,1]=4 311 B9R1.6 OB(O)C1=CN=CN=C1 X3633 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,2,0,0,0,0|2,0,0]=4 314 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [0,2,0,0,0,0|2,0,0]=4 315 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,2,0,0,0,0|1,0,0]=3 317 B9R1.8 CNCC1=CC=CC=N1 0916AP [0,2,0,0,0,0|2,0,0]=4 318 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,2,0,0,0,0|2,0,0]=4 319 B9R1.8 CNCC1=CC=NC=C1 7436AH [0,2,0,0,0,0|2,0,0]=4 320 B9R1.8 CNNC1=CC=CC=C1 V2456 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [0,2,0,0,0,0|1,0,0]=3 322 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,2,0,0,0,0|1,0,0]=3 325 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,2,0,0,0,0|1,0,0]=3 326 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [0,2,0,0,0,0|1,0,1]=4 327 B9R1.8 O=CNC1=NC=CC=C1 1807AL [0,2,0,0,0,0|1,0,1]=4 328 B9R1.8 OCCC1=CN=CN=C1 W8980 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.8 O\N=C\C1=CC=NC=C1 W9935 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.8 S=C=NC1=CC=CC=N1 3181AH [0,2,0,0,0,0|1,1,0]=4 331 B9R1.8 SCCC1=CC=NC=C1 9519AJ [0,2,0,0,0,0|1,1,0]=4 332 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [0,2,0,0,0,0|1,0,0]=3 333 B9R1.15 C#CC1=C(O)C=CC=C1 7065AB [0,2,0,0,0,0|0,0,0]=2 334 B9R1.15 C#CC1=CC=CC=C1Br 1939AC [0,2,0,0,0,0|1,0,0]=3 335 B9R1.15 C(=O)C1=CNC=CC1=O KMA0001 [0,2,0,0,0,0|1,0,1]=4 336 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [0,2,0,0,0,0|1,0,0]=3 337 B9R1.15 C=CC1=CC=CC=C1N Y8954 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.15 C=CC1=CC=CC=[N+]1C 0254AQ [0,2,0,0,0,0|2,0,0]=4 339 B9R1.15 CC1=C(C#N)C=CN=C1 Y6643 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [0,2,0,0,0,0|2,0,0]=4 344 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,2,0,0,0,0|1,0,0]=3 347 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,2,0,0,0,0|2,0,0]=4 348 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,2,0,0,0,0|2,0,0]=4 349 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,2,0,0,0,0|2,0,0]=4 350 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,2,0,0,0,0|2,0,0]=4 351 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,2,0,0,0,0|2,0,0]=4 353 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,2,0,0,0,0|2,0,0]=4 354 B9R1.15 CCC1=CC=CNC1=O 9540AB [0,2,0,0,0,0|1,0,1]=4 355 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,2,0,0,0,0|1,0,1]=4 356 B9R1.15 CNC1=CC=CC=C1Br 0544AC [0,2,0,0,0,0|1,0,0]=3 357 B9R1.15 CNC1=CC=CN=C1Cl N415 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.15 CNC1=CC=CN=C1N 8234AB [0,2,0,0,0,0|2,0,0]=4 359 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.15 COC1=C(C)C=NC=C1 V9875 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [0,2,0,0,0,0|1,0,0]=3 363 B9R1.15 COC1=C(N)C=NC=N1 Y7650 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.15 COC1=C(O)C=NC=C1 7687AA [0,2,0,0,0,0|1,0,0]=3 365 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.15 COC1=CC=NC=C1I 4852AC [0,2,0,0,0,0|1,0,0]=3 367 B9R1.15 COC1=CN=CN=C1O 1033AC [0,2,0,0,0,0|2,0,0]=4 368 B9R1.15 COC1=NC=CC=C1F Z7565 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.15 COC1=NC=CN=C1Br Z3980 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.15 COC1=NN=CC=C1N V2772 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.15 CSC1=NC=CC=C1Br V6364 [0,2,0,0,0,0|1,1,0]=4 372 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [0,2,0,0,0,0|1,0,0]=3 373 B9R1.15 ClCC1=C(Br)C=NC=C1 5826AJ [0,2,0,0,0,0|2,0,0]=4 374 B9R1.15 ClCC1=NC=CC=C1Br V3162 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.15 N#CC1=C(Br)C=CN=C1 B519 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.15 N#CC1=C(I)N=CC=C1 V6164 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.15 N#CC1=C(N)C=CN=C1 Y7671 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.15 N#CC1=C(O)C=NC=C1 3723AC [0,2,0,0,0,0|1,0,0]=3 379 B9R1.15 N#CC1=CC=CC=[N+]1[O-] 3018AD [0,2,0,0,0,0|1,0,1]=4 380 B9R1.15 N#CC1=CNC=CC1=O W9224 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.15 NC1=C(C=O)C=CN=C1 2155AJ [0,2,0,0,0,0|1,0,1]=4 382 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [0,2,0,0,0,0|2,0,0]=4 383 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [0,2,0,0,0,0|2,0,0]=4 384 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.15 NC1=CN=CC=C1C=O 3083AA [0,2,0,0,0,0|1,0,1]=4 386 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [0,2,0,0,0,0|2,0,0]=4 387 B9R1.15 NCC1=C(Cl)C=NC=C1 3709AC [0,2,0,0,0,0|2,0,0]=4 388 B9R1.15 NCC1=C(F)C=NC=C1 W8931 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [0,2,0,0,0,0|1,0,0]=3 390 B9R1.15 NCC1=CC=CC=C1N W5201 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,2,0,0,0,0|2,0,0]=4 392 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [0,2,0,0,0,0|1,0,0]=3 393 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [0,2,0,0,0,0|2,0,0]=4 394 B9R1.15 NNC1=NC=CC=C1Br V6518 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.15 NNC1=NC=CC=C1I Z0677 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.15 O=CC1=CN=CC=C1Br W3357 [0,2,0,0,0,0|1,0,1]=4 397 B9R1.15 O=CC1=NC=CC=C1O V2372 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [0,2,0,0,0,0|1,0,0]=3 400 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.15 [O-][N+]1=C(CCl)C=CC=C1 Y8686 [0,2,0,0,0,0|1,0,1]=4 402 B9R1.69 BrC1=C(I)C=C(I)C=N1 4413AC [0,2,0,0,0,0|2,0,0]=4 403 B9R1.69 BrC1=CC(I)=CN=C1Br 5612AC [0,2,0,0,0,0|2,0,0]=4 404 B9R1.69 BrC1=CN=C(Br)C=C1Br V8125 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.69 BrC1=NC(Br)=C(I)C=C1 0773AA [0,2,0,0,0,0|2,0,0]=4 406 B9R1.69 CC1=C(Br)N=C(Cl)C=C1 3646AC [0,2,0,0,0,0|2,0,0]=4 407 B9R1.69 CC1=C(C)C=C(N)N=C1 8565AB [0,2,0,0,0,0|2,0,0]=4 408 B9R1.69 CC1=C(C)C=[N+]([O-])C=C1 Z3721 [0,2,0,0,0,0|1,0,1]=4 409 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [0,2,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=C(F)C=C(F)C=C1 X4510 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.69 CC1=C(I)C=CC(N)=N1 W8256 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=C(S)C=CC(F)=C1 0479AF [0,2,0,0,0,0|0,1,0]=3 413 B9R1.69 CC1=CC(Br)=C(C)N=C1 5296AH [0,2,0,0,0,0|2,0,0]=4 414 B9R1.69 CC1=CC(Br)=CN=C1I Z0555 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.69 CC1=CC(C)=NC=C1Br W5018 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [0,2,0,0,0,0|1,0,0]=3 417 B9R1.69 CC1=CC(Cl)=NC=C1O Y3887 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.69 CC1=CC(Cl)=[N+]([O-])C=C1 7369AB [0,2,0,0,0,0|1,0,1]=4 419 B9R1.69 CC1=CC(I)=C(Br)N=C1 0052AC [0,2,0,0,0,0|2,0,0]=4 420 B9R1.69 CC1=CC(I)=CN=C1F Z0364 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.69 CC1=CC(I)=NC=C1Br Z1138 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.69 CC1=CC(N)=C(N)C=C1 1704AA [0,2,0,0,0,0|1,0,0]=3 423 B9R1.69 CC1=CC(O)=C(N)N=C1 6871AD [0,2,0,0,0,0|1,0,0]=3 424 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [0,2,0,0,0,0|2,0,0]=4 425 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [0,2,0,0,0,0|1,0,0]=3 426 B9R1.69 CC1=CC=C(Cl)C(I)=C1 Z0413 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [0,2,0,0,0,0|2,0,0]=4 428 B9R1.69 CC1=CC=C(I)C(O)=C1 1743AJ [0,2,0,0,0,0|0,0,0]=2 429 B9R1.69 CC1=CC=C(N)C(O)=N1 Z8999 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [0,2,0,0,0,0|2,0,0]=4 431 B9R1.69 CC1=CC=C(O)C(Cl)=N1 V5467 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.69 CC1=CC=C(O)C(F)=N1 N386 [0,2,0,0,0,0|1,0,0]=3 433 B9R1.69 CC1=CC=C(O)C(N)=N1 W4287 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.69 CC1=CC=C(O)C=C1I Z0737 [0,2,0,0,0,0|0,0,0]=2 435 B9R1.69 CC1=CC=C(S)C=C1F 7321AE [0,2,0,0,0,0|0,1,0]=3 436 B9R1.69 CC1=CN=C(Br)C=C1Cl 0797AA [0,2,0,0,0,0|2,0,0]=4 437 B9R1.69 CC1=CN=C(Br)C=C1N 2363AC [0,2,0,0,0,0|2,0,0]=4 438 B9R1.69 CC1=CN=C(C)C=C1Br Z4278 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.69 CC1=CN=C(C)C=C1Cl 1275AB [0,2,0,0,0,0|2,0,0]=4 440 B9R1.69 CC1=CN=C(Cl)C=C1Br W8907 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.69 CC1=CN=C(Cl)C=C1F 4342AA [0,2,0,0,0,0|2,0,0]=4 442 B9R1.69 CC1=CN=C(N)C=C1Cl 0795AA [0,2,0,0,0,0|2,0,0]=4 443 B9R1.69 CC1=CN=C(O)C(C)=N1 W7279 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.69 CC1=C[N+]([O-])=C(Br)C=C1 Z4351 [0,2,0,0,0,0|1,0,1]=4 445 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.69 CC1=NC(I)=CC=C1Br 0279AA [0,2,0,0,0,0|2,0,0]=4 447 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.69 CC1=NC=C(F)C(Br)=C1 Z3985 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.69 CC1=NC=C(F)C(Cl)=C1 Y7793 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.69 CC1=NC=C(F)C(N)=C1 6084AJ [0,2,0,0,0,0|2,0,0]=4 452 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 9355AD [0,2,0,0,0,0|1,0,0]=3 453 B9R1.69 ClC1=CC(Br)=NC=C1I 3977AD [0,2,0,0,0,0|2,0,0]=4 454 B9R1.69 ClC1=CC(I)=CN=C1Cl 6849AC [0,2,0,0,0,0|2,0,0]=4 455 B9R1.69 ClC1=CC=C(Br)N=C1Cl Z6659 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.69 FC1=C(Br)C=C(Br)N=C1 4834AA [0,2,0,0,0,0|2,0,0]=4 457 B9R1.69 FC1=C(F)C=C(Br)C=C1 Z1024 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.69 FC1=CC(F)=NC=C1I 2893AC [0,2,0,0,0,0|2,0,0]=4 459 B9R1.69 FC1=CC(I)=CN=C1F Y4246 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.69 FC1=CN=C(Br)C(I)=C1 3880AA [0,2,0,0,0,0|2,0,0]=4 461 B9R1.69 FC1=CN=C(Br)C=C1Cl 0798AA [0,2,0,0,0,0|2,0,0]=4 462 B9R1.69 FC1=CN=C(Br)C=C1I Z6842 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.69 FC1=CN=C(F)C(Br)=C1 Z8275 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.69 FC1=NC=C(Br)C(Cl)=C1 3001AA [0,2,0,0,0,0|2,0,0]=4 465 B9R1.69 FC1=NC=C(Br)C=C1I Y3844 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.69 NC1=C(Br)C=C(O)C=C1 2629AJ [0,2,0,0,0,0|0,0,0]=2 467 B9R1.69 NC1=C(Br)C=C(O)C=N1 Y8081 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.69 NC1=C(Cl)C=CC(Cl)=N1 3372AB [0,2,0,0,0,0|2,0,0]=4 469 B9R1.69 NC1=C(F)C=C(S)C=C1 4716AD [0,2,0,0,0,0|0,1,0]=3 470 B9R1.69 NC1=C(I)C=C(Cl)N=C1 Y6193 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.69 NC1=C(I)N=C(Br)C=C1 5369AC [0,2,0,0,0,0|2,0,0]=4 472 B9R1.69 NC1=C(N)C=C(Cl)N=C1 X9314 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.69 NC1=C(O)C=CC(O)=C1 0619AB [0,2,0,0,0,0|0,0,0]=2 474 B9R1.69 NC1=C(S)C=C(F)C=C1 1981AL [0,2,0,0,0,0|0,1,0]=3 475 B9R1.69 NC1=CC(Br)=C(Br)N=C1 W6770 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.69 NC1=CC(Br)=C(N)C=C1 6028AA [0,2,0,0,0,0|1,0,0]=3 477 B9R1.69 NC1=CC(Br)=C(N)N=C1 4847AC [0,2,0,0,0,0|2,0,0]=4 478 B9R1.69 NC1=CC(Br)=NC=C1F Y4561 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.69 NC1=CC(Cl)=NC=C1O 6651AA [0,2,0,0,0,0|1,0,0]=3 480 B9R1.69 NC1=CC(F)=CN=C1N 0824AB [0,2,0,0,0,0|2,0,0]=4 481 B9R1.69 NC1=CC(I)=C(Br)C=C1 9566AB [0,2,0,0,0,0|1,0,0]=3 482 B9R1.69 NC1=CC(N)=C(O)C=C1 6564AC [0,2,0,0,0,0|0,0,0]=2 483 B9R1.69 NC1=CC(N)=C(O)C=C1 A638 [0,2,0,0,0,0|0,0,0]=2 484 B9R1.69 NC1=CC=C(Br)N=C1O 2137AJ [0,2,0,0,0,0|1,0,0]=3 485 B9R1.69 NC1=CC=C(F)N=C1F 1627AA [0,2,0,0,0,0|2,0,0]=4 486 B9R1.69 NC1=CC=C(N)C(Cl)=C1 7668AF [0,2,0,0,0,0|1,0,0]=3 487 B9R1.69 NC1=CC=C(N)C(Cl)=C1 S621 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.69 NC1=CN=C(Cl)C(F)=C1 4835AA [0,2,0,0,0,0|2,0,0]=4 489 B9R1.69 NC1=CN=C(Cl)C(N)=C1 5029AH [0,2,0,0,0,0|2,0,0]=4 490 B9R1.69 NC1=CN=C(Cl)C=C1O 6652AA [0,2,0,0,0,0|1,0,0]=3 491 B9R1.69 NC1=CN=C(N)C=C1N 1532AB [0,2,0,0,0,0|2,0,0]=4 492 B9R1.69 NC1=CN=C(O)C(Br)=C1 V2666 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.69 NC1=NC(Br)=CC=C1Br V6243 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.69 NC1=NC=C(Br)C(F)=C1 3049AA [0,2,0,0,0,0|2,0,0]=4 495 B9R1.69 O=C1C=CC(=O)C(Br)=C1 5190AB [0,2,0,0,0,0|0,0,1]=3 496 B9R1.69 O=C1NC(Cl)=CC=C1Br 3079AC [0,2,0,0,0,0|1,0,1]=4 497 B9R1.69 O=C1NC=C(F)C=C1I 3064AA [0,2,0,0,0,0|1,0,1]=4 498 B9R1.69 OC1=CC(Br)=C(O)C=C1 8644AB [0,2,0,0,0,0|0,0,0]=2 499 B9R1.69 OC1=CC(Br)=CN=C1Br 0854AF [0,2,0,0,0,0|1,0,0]=3 500 B9R1.69 OC1=CC(Br)=NC=C1Br Y3562 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.69 OC1=CC(Cl)=CN=C1Cl 5073AE [0,2,0,0,0,0|1,0,0]=3 502 B9R1.69 OC1=CC(Cl)=CN=C1F X8506 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.69 OC1=CC(Cl)=NC=C1Cl Y4207 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.69 OC1=CC=C(Br)N=C1Cl V6405 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.69 OC1=CC=C(Cl)C(I)=C1 0406AB [0,2,0,0,0,0|0,0,0]=2 506 B9R1.69 OC1=CC=C(I)C(F)=C1 4424AA [0,2,0,0,0,0|0,0,0]=2 507 B9R1.69 OC1=CN=C(Br)C(Cl)=C1 X9763 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.69 OC1=NC(Br)=C(Br)C=C1 V2516 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.69 SC1=C(Cl)C=CC(Br)=C1 Y1709 [0,2,0,0,0,0|0,1,0]=3 510 B9R1.69 SC1=CC(Cl)=C(Cl)C=C1 U416 [0,2,0,0,0,0|0,1,0]=3 511 B9R1.69 [O-][N+]1=CC=C(Cl)C(Br)=C1 7007AC [0,2,0,0,0,0|1,0,1]=4 512 B9R1.3 CC1=C(Br)C=NC=C1Cl 4926AA [0,2,0,0,0,0|2,0,0]=4 513 B9R1.3 CC1=C(Br)C=NC=C1I Y3949 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.3 CC1=C(C)C(O)=NC=N1 4262AB [0,2,0,0,0,0|2,0,0]=4 515 B9R1.3 CC1=C(I)C(N)=NC=C1 4335AA [0,2,0,0,0,0|2,0,0]=4 516 B9R1.3 CC1=C(N)C(I)=CC=C1 2097AL [0,2,0,0,0,0|1,0,0]=3 517 B9R1.3 CC1=C(O)C=CNC1=O 6386AB [0,2,0,0,0,0|1,0,0]=3 518 B9R1.3 CC1=C(O)N=CN=C1O Y4924 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.3 CC1=C(O)N=CNC1=O 7145AE [0,2,0,0,0,0|2,0,0]=4 520 B9R1.3 CC1=CC=CC(Cl)=C1C 9095AB [0,2,0,0,0,0|1,0,0]=3 521 B9R1.3 CC1=CC=C[N+]([O-])=C1Br Z4350 [0,2,0,0,0,0|1,0,1]=4 522 B9R1.3 CC1=CC=C[N+]([O-])=C1Cl V9121 [0,2,0,0,0,0|1,0,1]=4 523 B9R1.3 CC1=CC=NC(Br)=C1I 4122AC [0,2,0,0,0,0|2,0,0]=4 524 B9R1.3 CC1=CN=CC(N)=C1N Y7493 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.3 CC1=NC=CC(Br)=C1N N209 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.3 CC1=NC=CC(C)=C1O 2563AB [0,2,0,0,0,0|1,0,0]=3 527 B9R1.3 CC1=NC=CC(O)=C1O 2121AL [0,2,0,0,0,0|1,0,0]=3 528 B9R1.3 ClC1=NC=CC(Br)=C1Cl Z6497 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.3 ClC1=NC=CC(Br)=C1I Z1092 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.3 FC1=CC=CC(F)=C1Cl W5913 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.3 FC1=CC=CC(F)=C1F W3248 [0,2,0,0,0,0|1,0,0]=3 532 B9R1.3 FC1=CN=CC(Br)=C1Br X9659 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.3 FC1=NC=CC(Cl)=C1F Y4244 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.3 FC1=NC=CC(F)=C1I W8675 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.3 F[N+]1=C(Cl)C=CC=C1Cl 4859AL [0,2,0,0,0,0|2,0,0]=4 536 B9R1.3 NC1=C(Br)C(O)=NC=C1 1600AA [0,2,0,0,0,0|1,0,0]=3 537 B9R1.3 NC1=C(Br)C=CC=C1O X9168 [0,2,0,0,0,0|0,0,0]=2 538 B9R1.3 NC1=C(Br)N=CC=C1Br 0593AA [0,2,0,0,0,0|2,0,0]=4 539 B9R1.3 NC1=C(I)C=CC=C1O X6266 [0,2,0,0,0,0|0,0,0]=2 540 B9R1.3 NC1=C(I)C=NC=C1I Y4881 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.3 NC1=C(N)C(Br)=NC=C1 Y8099 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.3 NC1=C(O)C=CC=C1Br 1489AJ [0,2,0,0,0,0|0,0,0]=2 543 B9R1.3 NC1=C(O)C=CN=C1O 8039AJ [0,2,0,0,0,0|1,0,0]=3 544 B9R1.3 NC1=CC=CC(F)=C1I X9520 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.3 NC1=CC=CC(N)=C1N 9096AB [0,2,0,0,0,0|1,0,0]=3 546 B9R1.3 NC1=CC=NC(O)=C1Cl 8063AB [0,2,0,0,0,0|1,0,0]=3 547 B9R1.3 NC1=CN=CC(N)=C1N Y9631 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.3 NC1=NC=CC(Cl)=C1O 0180AA [0,2,0,0,0,0|1,0,0]=3 549 B9R1.3 O=C1C(Br)=CNC=C1Br 2782AB [0,2,0,0,0,0|1,0,1]=4 550 B9R1.3 O=C1NC=CC(O)=C1Cl X8673 [0,2,0,0,0,0|1,0,0]=3 551 B9R1.3 OC1=C(Br)C(Cl)=NC=C1 Y3817 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.3 OC1=C(Cl)C(Cl)=NC=N1 W9194 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.3 OC1=C(Cl)C=CN=C1Cl 5477AB [0,2,0,0,0,0|1,0,0]=3 554 B9R1.3 OC1=C(F)C(F)=NC=C1 4347AA [0,2,0,0,0,0|1,0,0]=3 555 B9R1.3 OC1=C(I)C(Br)=CC=C1 3290AC [0,2,0,0,0,0|0,0,0]=2 556 B9R1.3 OC1=C(O)C(I)=CC=C1 0017AB [0,2,0,0,0,0|0,0,0]=2 557 B9R1.3 OC1=CC=CC(Br)=C1Br V6714 [0,2,0,0,0,0|0,0,0]=2 558 B9R1.3 [O-][N+]1=CC=CC(O)=C1Br 3175AA [0,2,0,0,0,0|1,0,0]=3 559 B9R1.34 CC1=CC(=O)C=C(O)O1 0884AC [0,2,0,0,0,0|1,0,0]=3 560 B9R1.34 CC1=CC(Br)=CC(Br)=N1 2361AC [0,2,0,0,0,0|2,0,0]=4 561 B9R1.34 CC1=CC(Br)=CC(F)=N1 Z1863 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.34 CC1=CC(F)=CC(F)=N1 2846AC [0,2,0,0,0,0|2,0,0]=4 563 B9R1.34 CC1=CC(I)=CC(F)=N1 X7997 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.34 CC1=CC(N)=CC(Cl)=N1 Y4099 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 Z8243 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.34 FC1=CC(Br)=CC(F)=N1 5036AC [0,2,0,0,0,0|2,0,0]=4 567 B9R1.34 FC1=CC(Br)=NC(F)=C1 5702AB [0,2,0,0,0,0|2,0,0]=4 568 B9R1.34 NC1=CC(Br)=CC(I)=C1 2200AJ [0,2,0,0,0,0|1,0,0]=3 569 B9R1.34 NC1=CC(Cl)=CC(Cl)=N1 3158AA [0,2,0,0,0,0|2,0,0]=4 570 B9R1.34 NC1=CC(Cl)=CC(N)=N1 Z2866 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.34 NC1=CC(F)=NC(F)=C1 9692AB [0,2,0,0,0,0|2,0,0]=4 572 B9R1.34 NC1=CC(I)=CC(I)=C1 2309AL [0,2,0,0,0,0|1,0,0]=3 573 B9R1.34 NC1=CC(N)=CC(N)=C1 Z1965 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.34 NC1=CC(N)=NC(O)=N1 Q629 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.34 NC1=CC(O)=CC(Cl)=C1 4097AC [0,2,0,0,0,0|0,0,0]=2 576 B9R1.34 NC1=CC(O)=CC(O)=C1 W7521 [0,2,0,0,0,0|0,0,0]=2 577 B9R1.34 NC1=CC(O)=NC(Cl)=N1 Z4827 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.34 OC1=NC(Cl)=CC(Cl)=N1 X7968 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.34 SC1=CC(S)=CC(Br)=C1 6757AL [0,2,0,0,0,0|0,1,0]=3 580 B9R1.34 SC1=CC(S)=CC(S)=C1 4486AL [0,2,0,0,0,0|0,1,0]=3 581 B9R1.34 [O-][N+]1=CC(Br)=CC(Cl)=C1 Z8597 [0,2,0,0,0,0|1,0,1]=4 582 B9R1.34 [O-][N+]1=CC(Br)=CC(F)=C1 Z8596 [0,2,0,0,0,0|1,0,1]=4 583 B9R1.34 [O-][N+]1=CC(Cl)=CC(F)=C1 Z8601 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.34 [O-][N+]1=CC(F)=CC(F)=C1 V4295 [0,2,0,0,0,0|1,0,1]=4 585 B7R1.24 C1=CC=C[CH+]C=C1 9390AL [0,0,1,1,0,0|1,0,0]=3 586 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,0,1,0|2,0,0]=4