0 B9R1.15 C#CC1=CC=CN=C1F 5833AC [0,0,0,0,0,0|2,0,2]=4 1 B9R1.15 C#CC1=CC=CN=C1N 0364AC [0,0,0,0,0,0|2,0,2]=4 2 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [0,0,0,0,0,0|2,0,2]=4 3 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=C(CN)C=CN=C1 4277AH [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [0,0,0,0,0,0|2,0,0]=2 7 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CC1=CN=CC=C1CO 4896AB [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,0,0,0,0,0|2,0,0]=2 12 B9R1.15 CC1=NC=CN=C1CCl 2672AC [0,0,0,0,0,0|1,0,0]=1 13 B9R1.15 CC1=NC=CN=C1CO 8119AA [0,0,0,0,0,0|1,0,0]=1 14 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,0,0,0,0,0|4,0,0]=4 15 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.15 CCC1=NC=CN=C1N 5741AC [0,0,0,0,0,0|1,0,0]=1 18 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CNC1=CC=CC=C1Br 0544AC [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 CNC1=CC=CN=C1N 8234AB [0,0,0,0,0,0|3,0,0]=3 21 B9R1.15 CNC1=NC=CC=C1N 6884AB [0,0,0,0,0,0|3,0,0]=3 22 B9R1.15 CNC1=NC=CN=C1N Y6424 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 COC1=CC=CN=C1I Y4758 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.15 COC1=CN=CN=C1O 1033AC [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 COC1=NC=CC=C1F Z7565 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.15 CSC1=NC=CC=C1Br V6364 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [0,0,0,0,0,0|2,0,0]=2 29 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [0,0,0,0,0,0|4,0,0]=4 30 B9R1.15 ClCC1=NC=CC=C1Br Z8668 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.15 FC1=CC=CN=C1CCl X7998 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 NC1=C(CO)N=CC=C1 5776AJ [0,0,0,0,0,0|3,0,0]=3 34 B9R1.15 NC1=NC=CN=C1C=O W5450 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [0,0,0,0,0,0|4,0,0]=4 37 B9R1.15 NCC1=CC=CC=C1N W5201 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.15 NCC1=CC=CN=C1Br 0546AB [0,0,0,0,0,0|3,0,0]=3 39 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,0,0,0,0,0|3,0,0]=3 40 B9R1.15 NCC1=CC=CN=C1Cl Y8187 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.15 NCC1=CC=CN=C1F W4328 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.15 NCC1=CC=CNC1=O 3266AC [0,0,0,0,0,0|3,0,1]=4 43 B9R1.15 NNC1=NC=CC=C1I Z0677 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.15 OCC1=NC=CC=C1Cl Z4931 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.2 BrCC1=NC=NC=C1 6571AA [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 C=CC1=NC=CN=C1 R581 [1,0,0,0,0,0|0,0,2]=3 48 B8R1.2 CC[N+]1=CC=CC=C1 E438 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 CNC1=CN=CN=C1 5460AB [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 COC1=CC=NN=C1 Z5489 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 ClCC1=NN=CC=C1 2587AB [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 ICC1=CN=CC=C1 5715AJ [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 NCC1=CC=CC=C1 7149AL [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 NCC1=CC=NC=N1 Y7101 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 NCC1=CC=NN=C1 X9904 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 NCC1=CN=NC=C1 0175AP [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 CC1=C(I)C=NC=N1 W9510 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.5 CC1=C(N)N=CC=C1 3663AB [1,0,0,0,0,0|2,0,0]=3 60 B8R1.5 CC1=C(O)N=CN=C1 Z4298 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 CC1=C(S)C=CC=C1 7880AF [1,0,0,0,0,0|3,0,0]=4 62 B8R1.5 CC1=CC=CC=C1O Z3651 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.5 CC1=NN=CN=C1O 5164AD [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 FC1=NC=CN=C1F 4974AE [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 FC1=NC=CN=C1I 6988AD [1,0,0,0,0,0|2,0,0]=3 66 B8R1.5 IC1=C(I)N=CC=C1 0321AF [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 NC1=CC=CN=C1Br 1627AJ [1,0,0,0,0,0|3,0,0]=4 68 B8R1.5 NC1=CC=CN=C1F 1722AJ [1,0,0,0,0,0|3,0,0]=4 69 B8R1.5 SC1=NC=CC=C1Br V7160 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.2 CCC1=CC=CC(C)=C1C Y4741 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.2 CNC1=CC=CC(Cl)=C1C V5857 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.2 COC1=C(I)C(N)=CC=N1 3211AA [0,1,0,0,0,0|3,0,0]=4 73 B10R1.2 COC1=NC=CC(Br)=C1C 2150AA [0,1,0,0,0,0|2,0,0]=3 74 B10R1.2 COC1=NC=CC(C)=C1N 9447AA [0,1,0,0,0,0|3,0,0]=4 75 B10R1.2 COC1=NC=CC(N)=C1Cl X2057 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [0,1,0,0,0,0|1,0,0]=2 77 B10R1.4 CC1=CC=CC=C1CNN 4794AE [0,1,0,0,0,0|3,0,0]=4 78 B10R1.4 CCCC1=C(Br)C=NC=N1 V9533 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [0,1,0,0,0,0|2,0,0]=3 80 B10R1.4 CCNC1=C(N)C=CC=C1 8052AD [0,1,0,0,0,0|3,0,0]=4 81 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [0,1,0,0,0,0|2,0,0]=3 82 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,1,0,0,0,0|2,0,1]=4 83 B10R1.4 CCOC1=NC=CC=C1F 3378AC [0,1,0,0,0,0|2,0,0]=3 84 B10R1.4 CCSC1=CC=CC=C1Br I195 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [0,1,0,0,0,0|1,0,0]=2 86 B10R1.4 N#CCC1=NC=CC=C1F 1107AJ [0,1,0,0,0,0|2,0,1]=4 87 B10R1.4 N#CCC1=NC=CN=C1Cl X0224 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.4 NCCC1=CC=CC=C1N W6472 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.20 CCC1=CC=CC=C1NN 6499AD [0,1,0,0,0,0|3,0,0]=4 90 B10R1.20 CNC1=CC=CC=C1NC 1228AQ [0,1,0,0,0,0|3,0,0]=4 91 B10R1.20 COC1=CC=CC=C1CCl X2210 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.20 COC1=CC=CN=C1CN 8861AB [0,1,0,0,0,0|2,0,0]=3 93 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,1,0,0,0,0|2,0,0]=3 94 B10R1.20 COC1=NC=CC=C1CBr 6069AC [0,1,0,0,0,0|2,0,0]=3 95 B10R1.20 COC1=NC=CC=C1CCl 8200AA [0,1,0,0,0,0|2,0,0]=3 96 B10R1.20 COC1=NC=CC=C1CCl Z3937 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.20 ClCC1=NC=CN=C1CCl 7070AB [0,1,0,0,0,0|1,0,0]=2 98 B10R1.20 N#CC1=C(CO)C=CC=N1 5883AA [0,1,0,0,0,0|2,0,1]=4 99 B10R1.20 N#CC1=CC=CN=C1CCl 3089AC [0,1,0,0,0,0|2,0,1]=4 100 B10R1.20 N#CC1=NC=CC=C1CBr 2766AA [0,1,0,0,0,0|2,0,1]=4 101 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [0,1,0,0,0,0|3,0,0]=4 102 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [0,1,0,0,0,0|2,0,1]=4 103 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [0,1,0,0,0,0|3,0,0]=4 104 B10R1.25 CC1=CC(Br)=CN=C1CN Z0423 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.25 CC1=CC(Br)=CN=C1NN Z8425 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [0,1,0,0,0,0|2,0,0]=3 107 B10R1.25 CC1=CC(Cl)=CN=C1C#N Z4212 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.25 CC1=CC(F)=CC=C1CO Z0855 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.25 CC1=CC(N)=CC=C1CO 6079AJ [0,1,0,0,0,0|3,0,0]=4 110 B10R1.25 CC1=CC(O)=CN=C1C#N 1437AB [0,1,0,0,0,0|2,0,1]=4 111 B10R1.25 CC1=CN=C(C#N)C(C)=C1 Y4016 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.25 CC1=NC(C)=C(CO)C=N1 0806AC [0,1,0,0,0,0|3,0,0]=4 114 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.25 CC1=NC(N)=NC=C1CO 6607AD [0,1,0,0,0,0|3,0,0]=4 116 B10R1.25 CC1=NC=C(CN)C(C)=N1 4205AB [0,1,0,0,0,0|3,0,0]=4 117 B10R1.25 CCC1=C(Br)C=C(N)C=C1 5299AH [0,1,0,0,0,0|3,0,0]=4 118 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [0,1,0,0,0,0|3,0,0]=4 119 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.25 CNC1=C(Cl)C=C(N)C=N1 2678AD [0,1,0,0,0,0|3,0,0]=4 122 B10R1.25 CNC1=NC=C(Cl)C=C1F V4437 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.25 COC1=C(Br)N=C(N)C=C1 Y4109 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.25 COC1=C(C)N=C(C)N=C1 6536AA [0,1,0,0,0,0|3,0,0]=4 125 B10R1.25 COC1=C(F)C=C(N)C=N1 W9142 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.25 COC1=C(N)C=C(F)C=N1 3720AA [0,1,0,0,0,0|3,0,0]=4 127 B10R1.25 COC1=CC=C(N)C=C1C 0301AD [0,1,0,0,0,0|3,0,0]=4 128 B10R1.25 COC1=NC=C(C)C=C1Cl W9916 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.25 COC1=NC=C(Cl)C=C1O Z9050 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [0,1,0,0,0,0|3,0,0]=4 133 B10R1.25 COC1=NC=C(N)C=C1C X9137 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.25 COC1=NC=C(O)C=C1Cl Y3795 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.25 CSC1=NC=C(Br)C=C1Br Z0015 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.25 CSC1=NC=C(Cl)C=C1Br Z0035 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 ClCC1=CC=C(Cl)N=C1Cl X3262 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 NC1=NC(Cl)=CN=C1C=O 4744AC [0,1,0,0,0,0|2,0,1]=4 141 B10R1.25 NCC1=NC=C(F)C=C1F Y4056 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 2625AB [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 OCC1=CC=C(Br)N=C1Br Z4877 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 OCC1=CC=C(Br)N=C1Cl 4356AA [0,1,0,0,0,0|3,0,0]=4 145 B10R1.25 OCC1=NC=C(Br)C=C1Br 4357AA [0,1,0,0,0,0|3,0,0]=4 146 B10R1.25 OCC1=NC=C(Cl)C=C1Br Y3911 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.30 CC1=C(C#N)C=C(Cl)C=N1 Z4032 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.30 CC1=CC=C(Br)C=C1CO Z0434 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.30 CC1=CC=C(C)C(C#N)=N1 0507AC [0,1,0,0,0,0|2,0,1]=4 150 B10R1.30 CC1=CC=C(Cl)N=C1C#N Z3968 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.30 CC1=CC=C(O)C=C1CO Y3987 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.30 CC1=CN=C(C)C(C#N)=N1 1801AB [0,1,0,0,0,0|1,0,1]=3 153 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 Y9301 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.30 CC1=CN=C(N)C(C#N)=N1 9376AA [0,1,0,0,0,0|2,0,1]=4 155 B10R1.30 CC1=NC=C(Cl)C=C1C=O 1379AA [0,1,0,0,0,0|2,0,1]=4 156 B10R1.30 CCC1=CC(Cl)=NN=C1Cl V2421 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.30 CCN1N=C(Cl)C=CC1=O 3501AJ [0,1,0,0,0,0|3,0,0]=4 158 B10R1.30 CNC1=CC(Cl)=CC=C1C Z7997 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.30 CNC1=NC(Br)=CN=C1N Y6292 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.30 CNC1=NC(C)=CC=C1N W3389 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.30 CNC1=NC(Cl)=CC=C1N 4858AC [0,1,0,0,0,0|3,0,0]=4 162 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.30 COC1=C(Cl)N=CC(N)=C1 W8292 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [0,1,0,0,0,0|2,0,0]=3 166 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [0,1,0,0,0,0|3,0,0]=4 168 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.30 COC1=CC(F)=CC=C1C Z1199 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.30 COC1=NC(Br)=CN=C1Br Y5449 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.30 CSC1=CC(Br)=CC=C1C Z0186 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.30 N#CC1=NC(Br)=CN=C1Cl 4853AA [0,1,0,0,0,0|2,0,1]=4 174 B10R1.30 NC1=NC=C(Br)N=C1C=O X9389 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.30 NC1=NC=C(Cl)N=C1C=O Z5290 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl 6377AA [0,1,0,0,0,0|2,0,1]=4 177 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 Y6584 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.30 OCC1=CC(Br)=CN=C1Br Y3885 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.30 OCC1=CC(Br)=CN=C1F Y3912 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.30 OCC1=CC(Cl)=CN=C1F Z0985 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.30 OCC1=NC(Br)=CC=C1Cl 2557AD [0,1,0,0,0,0|3,0,0]=4 182 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,0,0|2,0,1]=4 183 B10R1.61 CC(=O)C1=NC=CC=C1Cl 5776AA [0,1,0,0,0,0|2,0,1]=4 184 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.61 CC(Br)C1=CC=CC=C1F Y9030 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 0417AA [0,1,0,0,0,0|3,0,0]=4 188 B10R1.61 CC(N)C1=CC=CC=C1Br Z7493 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 6296AA [0,1,0,0,0,0|3,0,0]=4 190 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,1,0,0,0,0|2,0,0]=3 191 B10R1.61 CC1=C(B([O-])O)N=CC=C1 X1814 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,1,0,0,0,0|2,0,1]=4 193 B10R1.61 CC1=C(C(=O)O)N=CC=C1 4521AA [0,1,0,0,0,0|2,0,1]=4 194 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,1,0,0,0,0|2,0,0]=3 195 B10R1.61 CC1=C(C(N)=S)N=CC=C1 0825AQ [0,1,0,0,0,0|2,0,1]=4 196 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,1,0,0,0,0|2,0,0]=3 197 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,1,0,0,0,0|1,0,0]=2 198 B10R1.61 CC1=CC=CN=C1C(N)=O 3720AF [0,1,0,0,0,0|2,0,1]=4 199 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,1,0,0,0,0|1,0,0]=2 200 B10R1.61 CN(C)C1=C(N)C=CC=N1 4383AE [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 8346AH [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br 2344AA [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 C[C@@H](N)C1=CC=CC=C1F X9177 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 N446 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 C[C@H](N)C1=CC=CC=C1Br Z4151 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 8791AA [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 C[C@H](O)C1=CC=CC=C1Br N448 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 FC(F)C1=C(Br)C=CC=N1 1063AD [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 O=C(O)C1=NC=CN=C1Br W9637 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.61 O=C(O)C1=NC=CN=C1I W4424 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.245 CC1=C(CBr)C(Br)=CC=C1 1619AJ [0,1,0,0,0,0|3,0,0]=4 213 B10R1.245 CC1=CC=CC(Br)=C1CO 1261AA [0,1,0,0,0,0|3,0,0]=4 214 B10R1.245 CNC1=C(C)C=CC=C1C 9464AE [0,1,0,0,0,0|3,0,0]=4 215 B10R1.245 COC1=C(O)C=CN=C1C 7642AB [0,1,0,0,0,0|2,0,0]=3 216 B10R1.245 OCC1=C(I)C=CN=C1Cl 4123AC [0,1,0,0,0,0|3,0,0]=4 217 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [0,0,0,1,0,0|3,0,0]=4 218 B10R2.7 C1=CC2=C(N=CC=N2)N1 W6419 [0,0,0,1,0,0|1,0,2]=4 219 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [0,0,0,1,0,0|2,0,0]=3 220 B10R2.7 C1=CN=C2CNCC2=C1 V7126 [0,0,0,1,0,0|2,0,0]=3 221 B10R2.7 C1=CN=C2CNCC2=C1 W3225 [0,0,0,1,0,0|2,0,0]=3 222 B10R2.7 C1=CN=C2CNCC2=N1 6417AJ [0,0,0,1,0,0|1,0,0]=2 223 B10R2.7 C1=CN=C2NC=NC2=N1 Z4536 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.11 CC1=C(C#N)C=CN1 1782AJ [0,0,0,0,1,0|1,0,2]=4 225 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [0,0,0,0,1,0|2,0,1]=4 226 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,0,0,0,1,0|2,0,1]=4 227 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,0,0,0,1,0|2,0,1]=4 228 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,0,0,0,1,0|2,0,0]=3 229 B8R1.11 CC1=C(CN)SN=N1 9796AE [0,0,0,0,1,0|3,0,0]=4 230 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,0,0,0,1,0|2,0,0]=3 231 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,0,0,0,1,0|2,0,0]=3 232 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,0,0,0,1,0|2,0,0]=3 233 B8R1.11 CC1=C(CO)SN=N1 W3555 [0,0,0,0,1,0|3,0,0]=4 234 B8R1.11 CC1=NON=C1CBr 2757AF [0,0,0,0,1,0|2,0,0]=3 235 B8R1.11 CC1=NON=C1CCl 9454AB [0,0,0,0,1,0|2,0,0]=3 236 B8R1.11 CC1=NON=C1CN 2596AA [0,0,0,0,1,0|2,0,0]=3 237 B8R1.11 CC1=NSC=C1C#N 8734AB [0,0,0,0,1,0|2,0,1]=4 238 B8R1.11 CCC1=CNN=C1N Q798 [0,0,0,0,1,0|2,0,0]=3 239 B8R1.11 CCC1=NNC=C1I 2420AL [0,0,0,0,1,0|2,0,0]=3 240 B8R1.11 CCN1C=CN=C1Cl Y5679 [0,0,0,0,1,0|2,0,0]=3 241 B8R1.11 CCN1N=CC=C1Br 5279AA [0,0,0,0,1,0|2,0,0]=3 242 B8R1.11 CCN1N=CC=C1C 3292AE [0,0,0,0,1,0|1,0,0]=2 243 B8R1.11 CCN1N=CC=C1I V2890 [0,0,0,0,1,0|2,0,0]=3 244 B8R1.11 CCN1N=CN=C1Br 7401AE [0,0,0,0,1,0|2,0,0]=3 245 B8R1.11 CN1C=CC=C1CO 7329AB [0,0,0,0,1,0|3,0,0]=4 246 B8R1.11 CN1C=CN=C1C#N 3919AE [0,0,0,0,1,0|2,0,1]=4 247 B8R1.11 CN1C=CN=C1CN 7571AB [0,0,0,0,1,0|2,0,0]=3 248 B8R1.11 CN1C=CN=C1CN 8167AA [0,0,0,0,1,0|2,0,0]=3 249 B8R1.11 CN1C=NN=C1CCl 3904AD [0,0,0,0,1,0|3,0,0]=4 250 B8R1.11 CN1C=NN=C1CO W7249 [0,0,0,0,1,0|3,0,0]=4 251 B8R1.11 CN1N=CC=C1C#N 7596AE [0,0,0,0,1,0|2,0,1]=4 252 B8R1.11 CN1N=CC=C1CN 0380AD [0,0,0,0,1,0|2,0,0]=3 253 B8R1.11 CN1N=CN=C1CO 5420AC [0,0,0,0,1,0|2,0,0]=3 254 B8R1.11 COC1=NON=C1N 9711AE [0,0,0,0,1,0|3,0,0]=4 255 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [0,0,0,0,1,0|3,0,0]=4 256 B8R1.11 NCC1=C(Br)C=CS1 4220AA [0,0,0,0,1,0|3,0,0]=4 257 B8R1.11 OCC1=C(Cl)C=CS1 6537AD [0,0,0,0,1,0|3,0,0]=4 258 B7R1.3 CC1=CC=CN=N1 X0232 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 CC1=CCC=CC1 7751AF [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 SC1=NC=CN=C1 2178AE [2,0,0,0,0,0|1,0,0]=3 261 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,1,0,0,0,0|2,0,0]=4 265 B9R1.1 CCC1=CC=C(Cl)C=N1 2584AA [1,1,0,0,0,0|1,0,0]=3 266 B9R1.1 CCC1=CC=C(N)C=N1 5249AA [1,1,0,0,0,0|1,0,0]=3 267 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [1,1,0,0,0,0|0,0,0]=2 269 B9R1.1 CCC1=CN=C(N)N=C1 W5969 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [1,1,0,0,0,0|1,0,1]=4 271 B9R1.1 CCC1=NC=C(Br)C=N1 W8957 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.1 CNC1=NC=C(N)C=C1 2702AB [1,1,0,0,0,0|2,0,0]=4 273 B9R1.1 COC1=CN=C(I)C=N1 6098AC [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [1,1,0,0,0,0|2,0,0]=4 277 B9R1.1 ClCC1=NC=C(Cl)C=C1 7439AC [1,1,0,0,0,0|2,0,0]=4 278 B9R1.1 NC1=CC=C(CO)N=C1 8824AH [1,1,0,0,0,0|2,0,0]=4 279 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [1,1,0,0,0,0|1,0,0]=3 280 B9R1.1 NCC1=NC=C(Br)C=C1 8830AH [1,1,0,0,0,0|2,0,0]=4 281 B9R1.1 NCC1=NC=C(Br)C=C1 W3796 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [1,1,0,0,0,0|2,0,0]=4 283 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [1,1,0,0,0,0|2,0,0]=4 284 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [1,1,0,0,0,0|2,0,0]=4 285 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 CC1=CC(CO)=NC=C1 Z4739 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 CC1=CC=CC(CBr)=N1 Y9700 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [1,1,0,0,0,0|1,0,1]=4 290 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [1,1,0,0,0,0|1,0,0]=3 291 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [1,1,0,0,0,0|2,0,0]=4 292 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [1,1,0,0,0,0|1,0,0]=3 293 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [1,1,0,0,0,0|1,0,0]=3 295 B9R1.2 COC1=CC(C)=CN=C1 2251AC [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 COC1=CN=CC(Br)=N1 Y5654 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.2 COC1=CN=CC(F)=C1 Y3600 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 COC1=CN=CC(I)=C1 1202AF [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [1,1,0,0,0,0|2,0,0]=4 300 B9R1.2 COC1=NC(C)=CN=C1 2865AB [1,1,0,0,0,0|1,0,0]=3 301 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 ClCC1=CC(Cl)=CN=C1 2237AJ [1,1,0,0,0,0|2,0,0]=4 304 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [1,1,0,0,0,0|2,0,0]=4 306 B9R1.2 FC1=CC=CC(CBr)=N1 Z3784 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [1,1,0,0,0,0|2,0,0]=4 309 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [1,1,0,0,0,0|2,0,0]=4 311 B9R1.2 NCC1=NC(F)=CC=C1 4862AA [1,1,0,0,0,0|2,0,0]=4 312 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 NCC1=NC=CC(Br)=C1 W8887 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [1,1,0,0,0,0|1,0,1]=4 316 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [1,1,0,0,0,0|1,0,0]=3 317 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,1,0,0,0,0|0,0,0]=2 319 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,1,0,0,0,0|2,0,0]=4 320 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [1,1,0,0,0,0|1,0,0]=3 321 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,1,0,0,0,0|2,0,0]=4 322 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [1,1,0,0,0,0|1,0,0]=3 323 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [1,1,0,0,0,0|1,0,0]=3 324 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,1,0,0,0,0|1,0,0]=3 325 B9R1.8 CCNC1=NC=CN=C1 Z2415 [1,1,0,0,0,0|0,0,0]=2 326 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,1,0,0,0,0|2,0,0]=4 327 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,1,0,0,0,0|1,0,0]=3 328 B9R1.8 CNCC1=CC=NC=N1 6023AD [1,1,0,0,0,0|2,0,0]=4 329 B9R1.8 CNCC1=NC=CC=N1 X8879 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.8 CNCC1=NC=CN=C1 X9439 [1,1,0,0,0,0|0,0,0]=2 331 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.8 NCCC1=CC=CN=C1 5033AC [1,1,0,0,0,0|1,0,0]=3 333 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,1,0,0,0,0|0,0,0]=2 334 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,1,0,0,0,0|0,0,0]=2 335 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,1,0,0,0,0|2,0,0]=4 336 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,1,0,0,0,0|2,0,0]=4 337 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.8 OCCC1=NC=CN=C1 Z5014 [1,1,0,0,0,0|0,0,0]=2 339 B9R1.3 CC1=C(Br)C=CN=C1N 4350AA [1,1,0,0,0,0|2,0,0]=4 340 B9R1.3 CC1=C(C)C(O)=NC=N1 4262AB [1,1,0,0,0,0|2,0,0]=4 341 B9R1.3 CC1=C(Cl)C=CN=C1N 4354AA [1,1,0,0,0,0|2,0,0]=4 342 B9R1.3 CC1=NC=CC(Cl)=C1F 3345AA [1,1,0,0,0,0|2,0,0]=4 343 B9R1.3 CC1=NC=CC(O)=C1O 2121AL [1,1,0,0,0,0|2,0,0]=4 344 B9R1.69 CC1=C(Br)C=C(O)C=N1 Y8080 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.69 CC1=C(C)N=C(N)N=C1 0723AD [1,1,0,0,0,0|2,0,0]=4 346 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [1,1,0,0,0,0|2,0,0]=4 347 B9R1.69 CC1=C(Cl)C=CC(O)=N1 Z6713 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.69 CC1=C(Cl)N=CC(N)=N1 6250AB [1,1,0,0,0,0|1,0,0]=3 349 B9R1.69 CC1=C(I)C=CC(Br)=N1 5952AH [1,1,0,0,0,0|2,0,0]=4 350 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [1,1,0,0,0,0|2,0,0]=4 351 B9R1.69 CC1=CC(Cl)=CN=C1N 0759AQ [1,1,0,0,0,0|2,0,0]=4 352 B9R1.69 CC1=CC(I)=CN=C1F Z0364 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.69 CC1=CC(O)=CN=C1F Z0308 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [1,1,0,0,0,0|2,0,0]=4 355 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [1,1,0,0,0,0|2,0,0]=4 356 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [1,1,0,0,0,0|2,0,0]=4 357 B9R1.69 CC1=CN=C(Cl)C(C)=C1 Y9908 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.69 CC1=NC=C(Cl)N=C1Cl 5741AJ [1,1,0,0,0,0|1,0,0]=3 362 B9R1.69 CC1=NC=C(N)N=C1Br 1542AC [1,1,0,0,0,0|1,0,0]=3 363 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 3570AA [1,1,0,0,0,0|2,0,0]=4 364 B9R1.69 NC1=NC(Cl)=CN=C1Cl 7076AA [1,1,0,0,0,0|2,0,0]=4 365 B9R1.69 NC1=NC=C(Cl)N=C1N 4922AA [1,1,0,0,0,0|2,0,0]=4 366 B9R1.14 CCN1C=CN=C1CO 7181AE [0,1,0,0,1,0|1,0,0]=3 367 B9R1.14 CCN1N=CC=C1CO Y5139 [0,1,0,0,1,0|1,0,0]=3 368 B9R1.14 CCN1N=CN=C1C=O 4703AH [0,1,0,0,1,0|1,0,1]=4 369 B9R1.14 OCC1=C(CO)SC=N1 6032AJ [0,1,0,0,1,0|2,0,0]=4 370 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,1,0,0,1,0|2,0,0]=4 371 B9R1.22 CC1=NC(C)=C(CO)S1 W6569 [0,1,0,0,1,0|2,0,0]=4 372 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,1,0,0,1,0|2,0,0]=4 373 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,1,0,0,1,0|2,0,0]=4 374 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,1,0,0,1,0|2,0,0]=4 375 B9R1.22 CCN1N=C(C)C=C1C 9243AA [0,1,0,0,1,0|1,0,0]=3 376 B9R1.22 CCN1N=C(C)C=C1N 1314AE [0,1,0,0,1,0|2,0,0]=4 377 B9R1.27 CC1=NNC(C)=C1CN 7253AB [0,1,0,0,1,0|2,0,0]=4 378 B9R1.27 CCC1=C(C)NN=C1C 9257AE [0,1,0,0,1,0|1,0,0]=3 379 B9R1.27 CCN1C(=O)NN=C1C 8752AB [0,1,0,0,1,0|2,0,0]=4 380 B9R1.27 CCN1C(=S)NN=C1C 6878AE [0,1,0,0,1,0|2,0,0]=4 381 B9R1.33 CC1=C(CC#N)N=CN1 4743AE [0,1,0,0,1,0|0,0,2]=4 382 B9R1.33 CC1=C(CCCl)SC=N1 9622AJ [0,1,0,0,1,0|1,0,0]=3 383 B9R1.33 CC1=C(CCN)SC=N1 Y5478 [0,1,0,0,1,0|1,0,0]=3 384 B9R1.33 CC1=CC=NN1CCO 3041AE [0,1,0,0,1,0|1,0,0]=3 385 B9R1.33 CC1=NC=CN1CC#N 0247AF [0,1,0,0,1,0|1,0,1]=4 386 B9R1.33 CC1=NC=CN1CCBr 0199AF [0,1,0,0,1,0|1,0,0]=3 387 B9R1.33 CN1C=CC=C1CCN 1703AL [0,1,0,0,1,0|2,0,0]=4 388 B9R1.33 CN1C=CN=C1CCN X3600 [0,1,0,0,1,0|1,0,0]=3 389 B9R1.33 CNCC1=C(Br)C=CS1 8509AC [0,1,0,0,1,0|2,0,0]=4 390 B9R1.33 CNCC1=C(C)C=CS1 3445AC [0,1,0,0,1,0|1,0,0]=3 391 B9R1.33 CNCC1=C(C)C=CS1 V8159 [0,1,0,0,1,0|1,0,0]=3 392 B9R1.33 CNCC1=C(C)N=NS1 8299AC [0,1,0,0,1,0|2,0,0]=4 393 B9R1.33 CNCC1=CC=CN1C 8584AD [0,1,0,0,1,0|2,0,0]=4 394 B9R1.33 CNCC1=NC=CN1C 7296AE [0,1,0,0,1,0|1,0,0]=3 395 B9R1.33 CNCC1=NON=C1C 0386AD [0,1,0,0,1,0|1,0,0]=3 396 B9R1.33 CNCC1=NON=C1C 8744AB [0,1,0,0,1,0|1,0,0]=3 397 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,1,0|1,0,1]=4 398 B9R1.41 CC(=O)C1=NON=C1C 8383AA [0,1,0,0,1,0|1,0,1]=4 399 B9R1.41 CC(C)C1=NC=CN1C 1354AB [0,1,0,0,1,0|1,0,0]=3 400 B9R1.41 CC(C)N1C=CN=C1Cl Y5158 [0,1,0,0,1,0|2,0,0]=4 401 B9R1.41 CC(C)N1N=CC=C1I Z9781 [0,1,0,0,1,0|2,0,0]=4 402 B9R1.41 CC(C)N1N=CC=C1N 4366AB [0,1,0,0,1,0|2,0,0]=4 403 B9R1.41 CC1=CC=NN1C(F)F 7157AC [0,1,0,0,1,0|2,0,0]=4 404 B9R1.132 CCC1=NN=C(S)N1C 3720AE [0,1,0,0,1,0|2,0,0]=4 405 B9R1.132 CCC1=NNC(C)=C1Br 8992AE [0,1,0,0,1,0|2,0,0]=4 406 B9R1.132 CCN1N=CC(Br)=C1C 9826AC [0,1,0,0,1,0|1,0,0]=3 407 B9R1.132 CCN1N=CC(N)=C1C 0396AD [0,1,0,0,1,0|1,0,0]=3 408 B9R1.132 CN1C(Br)=CN=C1CO 3457AC [0,1,0,0,1,0|2,0,0]=4 409 B11R1.8 CCC1=C(C)C(Cl)=NC(N)=N1 X6029 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.13 CCOC1=C(N)C(C)=CC=N1 6176AA [0,2,0,0,0,0|2,0,0]=4 411 B11R1.265 COC1=C(Cl)C=CN=C1CCl 9882AL [0,2,0,0,0,0|2,0,0]=4 412 B11R1.265 COC1=NC=CC(I)=C1OC Z9046 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.267 COC1=CC=NC(CCl)=C1C 3586AC [0,2,0,0,0,0|2,0,0]=4 414 B11R1.17 CC1=C(NCCO)C=CC=C1 4010AD [0,2,0,0,0,0|2,0,0]=4 415 B11R1.17 CC1=C(OCCCl)C=CC=C1 7182AD [0,2,0,0,0,0|2,0,0]=4 416 B11R1.17 CC1=CC=CC=C1OCCBr 9799AA [0,2,0,0,0,0|2,0,0]=4 417 B11R1.17 CC1=CC=CC=C1OCCN 8788AD [0,2,0,0,0,0|2,0,0]=4 418 B11R1.17 CCCNC1=NC=CC=C1N 3687AE [0,2,0,0,0,0|2,0,0]=4 419 B11R1.17 CCCOC1=NC=CC=C1N 8654AB [0,2,0,0,0,0|2,0,0]=4 420 B11R1.17 CCNCC1=NC=CC=C1C 4242AF [0,2,0,0,0,0|1,0,0]=3 421 B11R1.17 NC1=CC=CN=C1NCCO 0651AD [0,2,0,0,0,0|2,0,0]=4 422 B11R1.41 CCNC1=C(OC)C=CC=C1 0860AF [0,2,0,0,0,0|2,0,0]=4 423 B11R1.41 CCOC1=C(CO)C=CC=C1 5602AL [0,2,0,0,0,0|2,0,0]=4 424 B11R1.41 CCOC1=CC=CC=C1CCl 9104AB [0,2,0,0,0,0|2,0,0]=4 425 B11R1.41 CCOC1=CC=CC=C1NC 6851AD [0,2,0,0,0,0|2,0,0]=4 426 B11R1.41 CCOC1=CC=CC=C1OC 1622AL [0,2,0,0,0,0|2,0,0]=4 427 B11R1.41 CCOC1=NC=CC=C1C=O 4245AC [0,2,0,0,0,0|1,0,1]=4 428 B11R1.41 CNCC1=C(CO)C=CC=C1 5373AJ [0,2,0,0,0,0|2,0,0]=4 429 B11R1.81 CCOC1=C(F)C=C(N)C=N1 Z5272 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.81 CCOC1=C(I)C=C(Br)C=N1 0529AF [0,2,0,0,0,0|2,0,0]=4 431 B11R1.81 CCOC1=CC=C(N)C=C1C 0469AD [0,2,0,0,0,0|2,0,0]=4 432 B11R1.81 CCOC1=NC=C(Br)C=C1Br Z0903 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.81 CCOC1=NC=C(N)C=C1Br Z7984 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.81 NCCC1=NC=C(Cl)C=C1Cl 1080AJ [0,2,0,0,0,0|2,0,0]=4 435 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,2,0,0,0,0|2,0,0]=4 436 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [0,2,0,0,0,0|1,0,0]=3 437 B11R1.182 CCNC1=NC(Br)=CN=C1N X9214 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 X8587 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.182 CCOC1=CC(Br)=CC=C1C Z0931 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.182 CCOC1=NC(Cl)=CN=C1N 4921AA [0,2,0,0,0,0|1,0,0]=3 441 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [0,2,0,0,0,0|2,0,0]=4 442 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.222 CNC(=O)C1=NC=CN=C1N 4576AB [0,2,0,0,0,0|1,0,1]=4 445 B11R1.222 COC(=O)C1=NC=CN=C1I W3780 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.605 CCOC1=C(C)C=CC=C1N Z9878 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.37 COC1=C(CO)C=C(F)C=N1 3863AC [0,2,0,0,0,0|2,0,0]=4 448 B11R1.37 COC1=C(CO)N=CC(Br)=C1 8548AC [0,2,0,0,0,0|2,0,0]=4 449 B11R1.37 COC1=C(OC)N=C(C)C=C1 0928AF [0,2,0,0,0,0|2,0,0]=4 450 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [0,2,0,0,0,0|2,0,0]=4 451 B11R1.37 COC1=CC(Cl)=CN=C1OC V4905 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.53 CC(C)C1=CC=CC=C1CO 0808AB [0,2,0,0,0,0|2,0,0]=4 453 B11R1.53 CCC1=C(B(O)O)C=CC=N1 5697AA [0,2,0,0,0,0|2,0,0]=4 454 B11R1.53 CN(C)C1=C(CN)C=CC=N1 1429AE [0,2,0,0,0,0|2,0,0]=4 455 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 0915AC [0,2,0,0,0,0|2,0,0]=4 456 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 6065AA [0,2,0,0,0,0|2,0,0]=4 457 B11R1.53 COC1=CC=CN=C1C(C)=O Z4678 [0,2,0,0,0,0|1,0,1]=4 458 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 Z5384 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br W8724 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.277 CC1=NC(C)=C(C)N=C1C=O 9745AA [0,2,0,0,0,0|1,0,1]=4 461 B11R1.277 NC1=NC(Cl)=C(Cl)N=C1CO W9722 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.279 COC1=NC=C(C=O)C=C1C Y3925 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.464 CCC1=C(C)N=C(N)N=C1Cl 5198AD [0,2,0,0,0,0|2,0,0]=4 465 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 1688AL [0,2,0,0,0,0|2,0,0]=4 466 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 3805AA [0,2,0,0,0,0|2,0,0]=4 467 B11R1.156 CC1=NC=NC(Cl)=C1C(C)C 2636AC [0,2,0,0,0,0|2,0,0]=4 468 B9R2.3 C1=NN2CCCC2=C1 1601AA [0,0,0,1,1,0|1,0,0]=3 469 B11R2.106 CC1=C2CCNC2=CC=C1 3110AA [0,1,0,1,0,0|2,0,0]=4 470 B11R2.106 CC1=C2NCCC2=CC=C1 0068AC [0,1,0,1,0,0|2,0,0]=4 471 B11R2.106 CC1=CC=CC2=C1CNC2 Y9957 [0,1,0,1,0,0|2,0,0]=4 472 B11R2.106 ClC1=NC=CC2=C1CCN2 6698AB [0,1,0,1,0,0|2,0,0]=4 473 B11R2.106 NC1=C2CCCC2=NC=C1 Z5126 [0,1,0,1,0,0|1,0,0]=3 474 B11R2.106 NC1=NC=NC2=C1CCC2 8863AD [0,1,0,1,0,0|2,0,0]=4 475 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [0,1,0,1,0,0|1,0,0]=3 476 B11R2.20 C1=CC2=C(CNCC2)N=C1 6451AA [0,1,0,1,0,0|1,0,0]=3 477 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [0,1,0,1,0,0|1,0,0]=3 478 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [0,1,0,1,0,0|1,0,0]=3 479 B11R2.20 C1=NC=NC2=C1CNCC2 W4126 [0,1,0,1,0,0|2,0,0]=4 480 B11R2.20 C1=NC=NC2=C1CNCC2 W4399 [0,1,0,1,0,0|2,0,0]=4 481 B11R2.55 FC1=NC=CC=C1C2CC2 Y3884 [0,1,0,1,0,0|2,0,0]=4 482 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [0,1,0,1,0,0|1,0,0]=3 483 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,1,0,1,0,0|1,0,0]=3 484 B11R2.1 O=C1CCC2=NC=CC=C12 4182AA [0,1,0,1,0,0|1,0,1]=4 485 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,1,0,1,0,0|2,0,0]=4 486 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,1,0,1,0,0|1,0,0]=3 487 B11R2.36 FC1=CC2=C(C=C1)CCC2 Z4670 [0,1,0,1,0,0|2,0,0]=4 488 B11R2.36 IC1=CC2=C(C=C1)CCC2 3759AD [0,1,0,1,0,0|2,0,0]=4 489 B11R2.36 NC1=NC=C2CCCC2=N1 8566AC [0,1,0,1,0,0|2,0,0]=4 490 B11R2.36 O=C1C=CC2=C(CCC2)N1 V8629 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.1 BrCC1=CN=CS1 Y7777 [1,0,0,0,1,0|2,0,0]=4 492 B7R1.1 BrCC1=COC=N1 1429AA [1,0,0,0,1,0|2,0,0]=4 493 B7R1.1 BrCC1=NC=CN1 1423AC [1,0,0,0,1,0|1,0,1]=4 494 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,0,1,0|1,0,0]=3 495 B7R1.1 CCC1=CNC=N1 6226AL [1,0,0,0,1,0|0,0,1]=3 496 B7R1.1 CCC1=CNN=C1 5501AD [1,0,0,0,1,0|1,0,0]=3 497 B7R1.1 CCC1=NN=CO1 5828AA [1,0,0,0,1,0|2,0,0]=4 498 B7R1.1 CCC1=NNC=C1 6654AA [1,0,0,0,1,0|1,0,0]=3 499 B7R1.1 CNC1=NC=CO1 6947AC [1,0,0,0,1,0|2,0,0]=4 500 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,1,0|2,0,0]=4 501 B7R1.1 CSC1=CNC=N1 X6327 [1,0,0,0,1,0|1,0,1]=4 502 B7R1.1 CSC1=NC=CO1 6777AD [1,0,0,0,1,0|2,0,0]=4 503 B7R1.1 ClCC1=CN=CO1 8892AA [1,0,0,0,1,0|2,0,0]=4 504 B7R1.1 ClCC1=COC=N1 0393AC [1,0,0,0,1,0|2,0,0]=4 505 B7R1.1 ClCC1=NC=CS1 1126AC [1,0,0,0,1,0|2,0,0]=4 506 B7R1.1 ClCC1=NC=CS1 W5535 [1,0,0,0,1,0|2,0,0]=4 507 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,1,0|1,0,1]=4 508 B7R1.1 NCC1=CC=NN1 4193AH [1,0,0,0,1,0|2,0,0]=4 509 B7R1.1 NCC1=COC=C1 Y7389 [1,0,0,0,1,0|2,0,0]=4 510 B7R1.1 NCC1=COC=C1 Y9148 [1,0,0,0,1,0|2,0,0]=4 511 B7R1.1 NCC1=COC=N1 Y1477 [1,0,0,0,1,0|2,0,0]=4 512 B7R1.1 NCC1=CON=C1 3103AA [1,0,0,0,1,0|2,0,0]=4 513 B7R1.1 NCC1=CON=C1 8976AA [1,0,0,0,1,0|2,0,0]=4 514 B7R1.1 NCC1=CSC=C1 Z3907 [1,0,0,0,1,0|2,0,0]=4 515 B7R1.1 NCC1=CSC=N1 0159AD [1,0,0,0,1,0|2,0,0]=4 516 B7R1.1 NCC1=NC=CN1 1371AB [1,0,0,0,1,0|1,0,1]=4 517 B7R1.1 NCC1=NC=CO1 0960AA [1,0,0,0,1,0|2,0,0]=4 518 B7R1.1 NCC1=NC=NN1 1729AJ [1,0,0,0,1,0|2,0,0]=4 519 B7R1.1 NCC1=NC=NN1 8323AH [1,0,0,0,1,0|2,0,0]=4 520 B7R1.1 NCC1=NOC=N1 1799AE [1,0,0,0,1,0|2,0,0]=4 521 B7R1.1 OCC1=CC=NO1 6850AC [1,0,0,0,1,0|2,0,0]=4 522 B7R1.1 OCC1=NNC=C1 X6393 [1,0,0,0,1,0|2,0,0]=4 523 B7R1.1 OCN1C=CN=C1 9540AF [1,0,0,0,1,0|2,0,0]=4 524 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,0,0,0,1,0|2,0,0]=4 525 B7R1.4 CC1=C(C)OC=N1 X5138 [1,0,0,0,1,0|1,0,0]=3 526 B7R1.4 CC1=CNC=C1C 2295AL [1,0,0,0,1,0|2,0,0]=4 527 B7R1.4 CC1=CNN=C1N 9912AB [1,0,0,0,1,0|2,0,0]=4 528 B7R1.4 CC1=NOC=C1N 4428AB [1,0,0,0,1,0|2,0,0]=4 529 B7R1.4 CN1C=CN=C1N Z5007 [1,0,0,0,1,0|2,0,0]=4 530 B7R1.4 CN1N=CN=C1Cl 5751AE [1,0,0,0,1,0|2,0,0]=4