0 B8R1.2 BrCC1=NC=CN=C1 5266AJ [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 C=CC1=NC=CN=C1 R581 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 CNC1=CN=CN=C1 5460AB [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 CNC1=NN=CC=N1 4345AJ [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 COC1=CC=NN=C1 Z5489 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 ClCC1=CN=CC=N1 0741AB [0,0,0,0,0,0|1,0,0]=1 8 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 FCC1=CC=NC=C1 2557AL [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 N#CC1=CC=NN=C1 X2036 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 NCC1=CC=CC=C1 7149AL [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 NCC1=CC=NN=C1 X9904 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 NCC1=CN=NC=C1 0175AP [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 NCC1=NC=NC=C1 9281AB [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 NCC1=NN=CC=C1 5795AC [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 NNC1=NN=CC=C1 5599AB [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 NNC1=NN=CC=C1 X0228 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 O=CC1=CN=NC=C1 7044AB [0,0,0,0,0,0|3,0,1]=4 21 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.2 O=CC1=NC=CN=C1 X7048 [0,0,0,0,0,0|1,0,1]=2 23 B8R1.2 OCC1=CC=NC=N1 W5525 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 OCC1=CN=NC=C1 7045AB [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 OCC1=NC=CN=C1 W7769 [0,0,0,0,0,0|1,0,0]=1 26 B8R1.2 OCC1=NN=CC=C1 W5830 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 BrC1=CC=NC=N1 2731AJ [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 BrC1=CN=NC=C1 Z1972 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 C[N+]1=CC=CC=C1 1581AB [1,0,0,0,0,0|3,0,0]=4 32 B7R1.3 C[N+]1=CC=CC=C1 K323 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 ClC1=NN=CC=C1 X0225 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 FC1=CN=CN=C1 W7798 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 IC1=CN=CN=C1 W5347 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.3 NC1=CC=CC=C1 7089AL [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 C#CC1=CC=C(Cl)N=C1 2313AB [0,1,0,0,0,0|1,0,2]=4 40 B9R1.1 C#CC1=CN=C(F)C=C1 3250AC [0,1,0,0,0,0|1,0,2]=4 41 B9R1.1 C#CC1=NC=C(Cl)C=C1 3376AA [0,1,0,0,0,0|1,0,2]=4 42 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [0,1,0,0,0,0|1,0,2]=4 43 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [0,1,0,0,0,0|1,0,2]=4 44 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [0,1,0,0,0,0|1,0,1]=3 46 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.1 CC1=CN=C(CN)C=N1 N635 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.1 CC1=CN=C(CN)N=C1 5734AC [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 CC1=CN=C(CN)N=C1 8860AH [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 CC1=NC=C(CBr)C=N1 2514AC [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,1,0,0,0,0|1,0,0]=2 58 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [0,1,0,0,0,0|0,0,0]=1 59 B9R1.1 CCC1=CN=C(N)N=C1 W5969 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,0,0,0|1,0,1]=3 61 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 CNC1=CC=C(N)C=C1 F921 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 CNC1=NC=C(Br)N=C1 3163AJ [0,1,0,0,0,0|1,0,0]=2 64 B9R1.1 COC1=CC=C(C)N=C1 8055AB [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.1 COC1=CN=C(I)C=N1 6098AC [0,1,0,0,0,0|1,0,0]=2 67 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 CSC1=NC=C(C)C=N1 Z2994 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 CSC1=NC=C(Cl)C=N1 2139AL [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 CSC1=NC=C(O)C=N1 Z4789 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 ClCC1=CN=C(Cl)N=C1 7390AA [0,1,0,0,0,0|3,0,0]=4 75 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 ClCC1=NN=C(Cl)C=C1 Z2720 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 N#CC1=CN=C(I)C=C1 V4938 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.1 N#CC1=CN=C(O)C=C1 W9711 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [0,1,0,0,0,0|3,0,0]=4 82 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [0,1,0,0,0,0|1,0,0]=2 84 B9R1.1 NCC1=NC=C(Br)C=N1 Z4014 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.1 NCC1=NC=C(Cl)C=N1 8838AH [0,1,0,0,0,0|3,0,0]=4 86 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.1 NNC1=CN=C(Cl)C=N1 3082AB [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 C#CC1=CN=CC(Cl)=C1 X7082 [0,1,0,0,0,0|1,0,2]=4 92 B9R1.2 C#CC1=NC=CC(Br)=C1 3384AA [0,1,0,0,0,0|1,0,2]=4 93 B9R1.2 C#CC1=NC=CC(N)=C1 0256AC [0,1,0,0,0,0|1,0,2]=4 94 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [0,1,0,0,0,0|1,0,2]=4 95 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [0,1,0,0,0,0|1,0,2]=4 96 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [0,1,0,0,0,0|1,0,2]=4 97 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [0,1,0,0,0,0|1,0,2]=4 98 B9R1.2 CC1=CC(C#N)=CN=C1 5922AB [0,1,0,0,0,0|2,0,1]=4 99 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 CC1=CC=NC(CN)=N1 8797AH [0,1,0,0,0,0|3,0,0]=4 104 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,0,0,0|1,0,1]=3 105 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,0|1,0,0]=2 106 B9R1.2 CC1=NC(CCl)=NC=C1 Y3172 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,0,0,0|2,0,0]=3 108 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.2 CCC1=CC(Br)=NC=C1 Y5042 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,0|2,0,0]=3 111 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,0,0,0|1,0,0]=2 112 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [0,1,0,0,0,0|2,0,0]=3 113 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,0|1,0,0]=2 114 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [0,1,0,0,0,0|2,0,0]=3 115 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [0,1,0,0,0,0|3,0,0]=4 116 B9R1.2 CNC1=CC(O)=NC=N1 2155AA [0,1,0,0,0,0|3,0,0]=4 117 B9R1.2 CNC1=NC(N)=NC=C1 0200AA [0,1,0,0,0,0|3,0,0]=4 118 B9R1.2 CNC1=NC=CC(C)=N1 Z2893 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.2 CNC1=NC=CC(N)=N1 Z3321 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.2 COC1=CC(=O)NN=C1 X9569 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,1,0,0,0,0|2,0,0]=3 122 B9R1.2 COC1=CN=CC(I)=C1 1202AF [0,1,0,0,0,0|2,0,0]=3 123 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [0,1,0,0,0,0|2,0,0]=3 124 B9R1.2 COC1=C[N+]([O-])=CC=C1 7428AA [0,1,0,0,0,0|2,0,1]=4 125 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,0,0,0|1,0,0]=2 126 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [0,1,0,0,0,0|1,0,0]=2 127 B9R1.2 CSC1=NC=CC(Br)=N1 W9785 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [0,1,0,0,0,0|2,0,0]=3 130 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [0,1,0,0,0,0|2,0,0]=3 131 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,0|2,0,0]=3 134 B9R1.2 ClCC1=NC(Cl)=NC=C1 6190AC [0,1,0,0,0,0|3,0,0]=4 135 B9R1.2 ClCC1=NC=CC(Cl)=N1 Y3254 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.2 N#CC1=CC(N)=CC=N1 6862AC [0,1,0,0,0,0|2,0,1]=4 137 B9R1.2 N#CC1=NC=CC(I)=C1 V9049 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [0,1,0,0,0,0|2,0,0]=3 140 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,1,0,0,0,0|2,0,1]=4 141 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [0,1,0,0,0,0|3,0,0]=4 142 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,1,0,0,0,0|3,0,0]=4 143 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,0|2,0,0]=3 144 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [0,1,0,0,0,0|3,0,0]=4 145 B9R1.2 NCC1=CC(N)=NC=N1 3584AF [0,1,0,0,0,0|3,0,0]=4 146 B9R1.2 NCC1=CC=CC(=O)N1 Y7390 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.2 NCC1=CC=C[N+]([O-])=C1 2361AL [0,1,0,0,0,0|2,0,1]=4 149 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,0|2,0,0]=3 150 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [0,1,0,0,0,0|2,0,0]=3 152 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.2 O=CC1=CC(I)=CN=C1 1479AF [0,1,0,0,0,0|2,0,1]=4 154 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.2 O=CC1=CN=CC(Cl)=C1 W9911 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [0,1,0,0,0,0|1,0,1]=3 157 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,1,0,0,0,0|2,0,1]=4 158 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [0,1,0,0,0,0|2,0,0]=3 161 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,0,0,0|3,0,0]=4 162 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,0|1,0,0]=2 163 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,1,0,0,0,0|2,0,0]=3 164 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [0,1,0,0,0,0|1,0,0]=2 167 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [0,1,0,0,0,0|2,0,0]=3 168 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [0,1,0,0,0,0|2,0,0]=3 169 B9R1.6 CN(C)C1=NC=NC=C1 3385AB [0,1,0,0,0,0|3,0,0]=4 170 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [0,1,0,0,0,0|1,0,0]=2 171 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,1,0,0,0,0|3,0,0]=4 173 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,1,0,0,0,0|2,0,0]=3 174 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,1,0,0,0,0|1,0,0]=2 175 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [0,1,0,0,0,0|1,0,0]=2 176 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,1,0,0,0,0|1,0,0]=2 177 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,1,0,0,0,0|2,0,1]=4 178 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,1,0,0,0,0|1,0,1]=3 179 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,1,0,0,0,0|2,0,1]=4 180 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,1,0,0,0,0|1,0,0]=2 183 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [0,1,0,0,0,0|3,0,0]=4 184 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.8 CCNC1=NC=CN=C1 Z2415 [0,1,0,0,0,0|0,0,0]=1 186 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,1,0,0,0,0|2,0,0]=3 187 B9R1.8 CNCC1=CC=CC=N1 0916AP [0,1,0,0,0,0|1,0,0]=2 188 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,1,0,0,0,0|1,0,0]=2 189 B9R1.8 CNCC1=CC=NC=C1 7436AH [0,1,0,0,0,0|3,0,0]=4 190 B9R1.8 CNCC1=CC=NC=N1 6023AD [0,1,0,0,0,0|2,0,0]=3 191 B9R1.8 CNCC1=NC=CC=N1 X8879 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.8 CNCC1=NC=CN=C1 X9439 [0,1,0,0,0,0|0,0,0]=1 193 B9R1.8 CNNC1=CC=CC=C1 V2456 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [0,1,0,0,0,0|2,0,1]=4 195 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,1,0,0,0,0|2,0,0]=3 197 B9R1.8 NCCC1=CN=CC=N1 1878AJ [0,1,0,0,0,0|0,0,0]=1 198 B9R1.8 NCCC1=NC=CC=N1 X3774 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.8 NCCC1=NC=CN=C1 Y9352 [0,1,0,0,0,0|0,0,0]=1 200 B9R1.8 NNCC1=CN=CN=C1 2736AD [0,1,0,0,0,0|3,0,0]=4 201 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,1,0,0,0,0|2,0,0]=3 202 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.8 O=CNC1=NC=CC=C1 1807AL [0,1,0,0,0,0|2,0,1]=4 204 B9R1.8 OCCC1=CN=CN=C1 W8980 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.8 S=C=NC1=CC=CC=N1 3181AH [0,1,0,0,0,0|2,0,1]=4 206 B9R1.8 SCCC1=CC=NC=C1 9519AJ [0,1,0,0,0,0|3,0,0]=4 207 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [0,1,0,0,0,0|2,0,1]=4 208 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.15 CC1=C(NN)C=NC=C1 2421AC [0,1,0,0,0,0|3,0,0]=4 211 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [0,1,0,0,0,0|2,0,0]=3 212 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,1,0,0,0,0|2,0,0]=3 214 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,1,0,0,0,0|2,0,0]=3 215 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,1,0,0,0,0|2,0,0]=3 216 B9R1.15 CC1=NC=CN=C1CCl 2672AC [0,1,0,0,0,0|1,0,0]=2 217 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,1,0,0,0,0|1,0,0]=2 218 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,1,0,0,0,0|1,0,0]=2 221 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,1,0,0,0,0|1,0,0]=2 222 B9R1.15 CCC1=CC=CNC1=O 9540AB [0,1,0,0,0,0|1,0,1]=3 223 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,1,0,0,0,0|1,0,1]=3 224 B9R1.15 CNC1=CC=CC=C1Br 0544AC [0,1,0,0,0,0|3,0,0]=4 225 B9R1.15 CNC1=CC=CN=C1Cl N415 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.15 CNC1=CC=CN=C1N 8234AB [0,1,0,0,0,0|2,0,0]=3 227 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.15 COC1=C(N)C=NC=N1 Y7650 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.15 COC1=CN=CN=C1O 1033AC [0,1,0,0,0,0|3,0,0]=4 233 B9R1.15 COC1=NC=CC=C1F Z7565 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.15 COC1=NC=CN=C1Br Z3980 [0,1,0,0,0,0|1,0,0]=2 235 B9R1.15 COC1=NN=CC=C1N V2772 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.15 CSC1=NC=CC=C1Br V6364 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [0,1,0,0,0,0|1,0,0]=2 238 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [0,1,0,0,0,0|3,0,0]=4 239 B9R1.15 ClCC1=NC=CC=C1Br V3162 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [0,1,0,0,0,0|1,0,0]=2 241 B9R1.15 N#CC1=C(Br)C=CN=C1 B519 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.15 N#CC1=C(I)N=CC=C1 V6164 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.15 N#CC1=C(N)C=CN=C1 Y7671 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [0,1,0,0,0,0|2,0,0]=3 245 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [0,1,0,0,0,0|2,0,0]=3 246 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [0,1,0,0,0,0|2,0,0]=3 248 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [0,1,0,0,0,0|3,0,0]=4 249 B9R1.15 NCC1=CC=CC=C1N W5201 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,1,0,0,0,0|2,0,0]=3 251 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [0,1,0,0,0,0|3,0,0]=4 252 B9R1.15 NNC1=NC=CC=C1Br V6518 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.15 NNC1=NC=CC=C1I Z0677 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.15 O=CC1=CN=CC=C1Br W3357 [0,1,0,0,0,0|2,0,1]=4 255 B9R1.15 O=CC1=NC=CC=C1O V2372 [0,1,0,0,0,0|2,0,1]=4 256 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [0,1,0,0,0,0|2,0,0]=3 258 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.15 [O-][N+]1=C(CCl)C=CC=C1 Y8686 [0,1,0,0,0,0|2,0,1]=4 260 B7R1.1 BrCC1=COC=N1 1429AA [0,0,0,0,1,0|2,0,0]=3 261 B7R1.1 BrCC1=NC=CN1 1423AC [0,0,0,0,1,0|1,0,1]=3 262 B7R1.1 BrCC1=NOC=C1 2020AJ [0,0,0,0,1,0|2,0,0]=3 263 B7R1.1 C=CN1C=NC=N1 0150AQ [0,0,0,0,1,0|1,0,2]=4 264 B7R1.1 CCC1=CC=NO1 3273AB [0,0,0,0,1,0|1,0,0]=2 265 B7R1.1 CCC1=CNC=N1 6226AL [0,0,0,0,1,0|0,0,1]=2 266 B7R1.1 CCC1=NNC=C1 6654AA [0,0,0,0,1,0|1,0,0]=2 267 B7R1.1 COC1=CC=CO1 2109AL [0,0,0,0,1,0|2,0,0]=3 268 B7R1.1 CSC1=CNC=N1 X6327 [0,0,0,0,1,0|1,0,1]=3 269 B7R1.1 CSC1=NC=CN1 5294AJ [0,0,0,0,1,0|1,0,1]=3 270 B7R1.1 CSC1=NC=CO1 6777AD [0,0,0,0,1,0|2,0,0]=3 271 B7R1.1 ClCC1=CC=NO1 8534AB [0,0,0,0,1,0|2,0,0]=3 272 B7R1.1 ClCC1=COC=N1 0393AC [0,0,0,0,1,0|2,0,0]=3 273 B7R1.1 ClCC1=NC=CN1 1125AC [0,0,0,0,1,0|1,0,1]=3 274 B7R1.1 ClCC1=NC=CS1 1126AC [0,0,0,0,1,0|2,0,0]=3 275 B7R1.1 ClCC1=NC=CS1 W5535 [0,0,0,0,1,0|2,0,0]=3 276 B7R1.1 N#CC1=CN=CO1 X3473 [0,0,0,0,1,0|2,0,1]=4 277 B7R1.1 N#CC1=COC=C1 0818AQ [0,0,0,0,1,0|2,0,1]=4 278 B7R1.1 N#CC1=COC=N1 Y5469 [0,0,0,0,1,0|2,0,1]=4 279 B7R1.1 N#CC1=NSC=C1 7174AA [0,0,0,0,1,0|2,0,1]=4 280 B7R1.1 NCC1=CC=CN1 W7617 [0,0,0,0,1,0|1,0,1]=3 281 B7R1.1 NCC1=CC=NO1 6076AB [0,0,0,0,1,0|2,0,0]=3 282 B7R1.1 NCC1=CN=CS1 7784AH [0,0,0,0,1,0|2,0,0]=3 283 B7R1.1 NCC1=CNC=C1 4647AC [0,0,0,0,1,0|1,0,1]=3 284 B7R1.1 NCC1=CNC=N1 1263AC [0,0,0,0,1,0|1,0,1]=3 285 B7R1.1 NCC1=CNC=N1 W7724 [0,0,0,0,1,0|1,0,1]=3 286 B7R1.1 NCC1=CNN=N1 9846AH [0,0,0,0,1,0|2,0,1]=4 287 B7R1.1 NCC1=COC=C1 Y9148 [0,0,0,0,1,0|2,0,0]=3 288 B7R1.1 NCC1=COC=N1 Y1477 [0,0,0,0,1,0|2,0,0]=3 289 B7R1.1 NCC1=CON=C1 8978AA [0,0,0,0,1,0|2,0,0]=3 290 B7R1.1 NCC1=CSC=C1 Z3907 [0,0,0,0,1,0|2,0,0]=3 291 B7R1.1 NCC1=CSC=N1 0159AD [0,0,0,0,1,0|2,0,0]=3 292 B7R1.1 NCC1=CSC=N1 8187AA [0,0,0,0,1,0|2,0,0]=3 293 B7R1.1 NCC1=NC=CO1 0960AA [0,0,0,0,1,0|2,0,0]=3 294 B7R1.1 NCC1=NC=NN1 8323AH [0,0,0,0,1,0|2,0,0]=3 295 B7R1.1 NCC1=NNN=N1 V5109 [0,0,0,0,1,0|3,0,0]=4 296 B7R1.1 NCC1=NOC=C1 3959AJ [0,0,0,0,1,0|2,0,0]=3 297 B7R1.1 NCC1=NOC=N1 1799AE [0,0,0,0,1,0|2,0,0]=3 298 B7R1.1 NNC1=NC=CS1 3138AB [0,0,0,0,1,0|3,0,0]=4 299 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,0,0,0,1,0|2,0,1]=4 300 B7R1.1 O=CC1=CC=NS1 7399AB [0,0,0,0,1,0|2,0,1]=4 301 B7R1.1 O=CC1=CN=CO1 X9341 [0,0,0,0,1,0|2,0,1]=4 302 B7R1.1 O=CC1=CON=C1 0015AC [0,0,0,0,1,0|2,0,1]=4 303 B7R1.1 O=CC1=CSN=C1 4169AJ [0,0,0,0,1,0|2,0,1]=4 304 B7R1.1 O=CC1=NC=CO1 7478AE [0,0,0,0,1,0|2,0,1]=4 305 B7R1.1 O=CC1=NNC=N1 9849AH [0,0,0,0,1,0|2,0,1]=4 306 B7R1.1 O=CC1=NOC=C1 4723AC [0,0,0,0,1,0|2,0,1]=4 307 B7R1.1 OCC1=CNC=N1 W5446 [0,0,0,0,1,0|1,0,1]=3 308 B7R1.1 OCC1=CON=C1 2836AJ [0,0,0,0,1,0|2,0,0]=3 309 B7R1.1 OCC1=NNC=C1 X6393 [0,0,0,0,1,0|2,0,0]=3 310 B7R1.1 OCN1C=CN=C1 9540AF [0,0,0,0,1,0|2,0,0]=3 311 B6R0.1 CC(\C=N\O)=N/O P687 [1,0,1,0,0,0|2,0,0]=4 312 B6R1.1 C1=CC=NC=C1 9032AJ [2,0,0,0,0,0|1,0,0]=3 313 B6R1.1 C1=CC=NC=C1 I569 [2,0,0,0,0,0|1,0,0]=3 314 B6R1.1 C1=NN=CN=N1 3034AH [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [1,1,0,0,0,0|0,0,0]=2 316 B8R1.3 CC1=CN=C(C)N=C1 1431AB [1,1,0,0,0,0|2,0,0]=4 317 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 CC1=NN=C(C)C=C1 X3917 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.3 NC1=CN=C(N)C=C1 X9372 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.3 NC1=NC=C(O)C=C1 V8126 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.3 NC1=NC=C(O)C=C1 X4178 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.4 CC1=CC(=O)NN=C1 X7047 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.4 CC1=CC(Cl)=NN=C1 W9219 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.4 CC1=CC(I)=NC=C1 1274AB [1,1,0,0,0,0|2,0,0]=4 325 B8R1.4 CC1=CC(N)=CC=C1 5136AF [1,1,0,0,0,0|2,0,0]=4 326 B8R1.4 CC1=CC(N)=NN=C1 7108AA [1,1,0,0,0,0|2,0,0]=4 327 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [1,1,0,0,0,0|1,0,0]=3 328 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [1,1,0,0,0,0|1,0,0]=3 329 B8R1.4 CC1=CN=NC(=O)C1 5887AH [1,1,0,0,0,0|2,0,0]=4 330 B8R1.4 ClC1=CC(I)=CN=C1 2091AC [1,1,0,0,0,0|2,0,0]=4 331 B8R1.4 ClC1=CC(I)=NC=C1 1450AB [1,1,0,0,0,0|2,0,0]=4 332 B8R1.4 IC1=CN=CC(I)=C1 7672AB [1,1,0,0,0,0|2,0,0]=4 333 B8R1.4 NC1=CC(Cl)=NC=C1 1677AJ [1,1,0,0,0,0|2,0,0]=4 334 B8R1.4 NC1=CC(F)=CN=C1 Y4462 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.4 NC1=CC(I)=CN=C1 8472AD [1,1,0,0,0,0|2,0,0]=4 336 B8R1.4 NC1=CC=CC(N)=N1 7294AA [1,1,0,0,0,0|2,0,0]=4 337 B8R1.4 NC1=CN=CC(F)=N1 3111AD [1,1,0,0,0,0|1,0,0]=3 338 B8R1.4 NC1=CN=CC(N)=N1 W6186 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.4 NC1=NC(=O)NN=C1 3530AF [1,1,0,0,0,0|2,0,0]=4 340 B8R1.4 NC1=NC=CC(Cl)=C1 5606AH [1,1,0,0,0,0|2,0,0]=4 341 B8R1.4 OC1=CN=CC(I)=C1 7258AD [1,1,0,0,0,0|2,0,0]=4 342 B8R1.5 CC1=C(Cl)C=CN=C1 W3664 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.5 CC1=C(I)C=NC=N1 W9510 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.5 CC1=C(N)N=CC=C1 3663AB [1,1,0,0,0,0|1,0,0]=3 346 B8R1.5 CC1=CC=CC=C1O Z3651 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.5 CC1=CC=NN=C1Cl V2362 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.5 CC1=CC=NN=C1N V8933 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [1,1,0,0,0,0|2,0,0]=4 350 B8R1.5 CC1=NC=CC=C1I 7575AA [1,1,0,0,0,0|1,0,0]=3 351 B8R1.5 CC1=NC=NC=C1N B201 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.5 CC1=NN=CN=C1O 5164AD [1,1,0,0,0,0|1,0,0]=3 353 B8R1.5 ClC1=C(Cl)C=NC=C1 5074AD [1,1,0,0,0,0|2,0,0]=4 354 B8R1.5 ClC1=CC=CN=C1I W8392 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.5 FC1=C(F)C=NC=C1 2808AC [1,1,0,0,0,0|2,0,0]=4 356 B8R1.5 FC1=NC=CN=C1F 4974AE [1,1,0,0,0,0|1,0,0]=3 357 B8R1.5 IC1=C(I)N=CC=C1 0321AF [1,1,0,0,0,0|2,0,0]=4 358 B8R1.5 NC1=CC=CN=C1Br 1627AJ [1,1,0,0,0,0|2,0,0]=4 359 B8R1.5 NC1=CC=CN=C1F 1722AJ [1,1,0,0,0,0|2,0,0]=4 360 B8R1.5 OC1=C(O)C=NC=C1 Y6808 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.5 OC1=NC=CN=C1O Y4736 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.1 BrCC1=CC(Br)=NO1 4667AC [0,1,0,0,1,0|2,0,0]=4 363 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.1 BrCC1=CSC(Br)=N1 9469AA [0,1,0,0,1,0|2,0,0]=4 365 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,0,1,0|2,0,0]=4 366 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,0,1,0|2,0,0]=4 367 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,1,0,0,1,0|2,0,0]=4 371 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,0,1,0|1,0,1]=4 372 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,1,0,0,1,0|1,0,1]=4 373 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,0,1,0|1,0,1]=4 374 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,0,1,0|2,0,0]=4 375 B8R1.1 CC1=NC(CBr)=NO1 4500AF [0,1,0,0,1,0|2,0,0]=4 376 B8R1.1 CC1=NC(CCl)=CS1 Y8976 [0,1,0,0,1,0|2,0,0]=4 377 B8R1.1 CC1=NC(CN)=NN1 3635AD [0,1,0,0,1,0|2,0,0]=4 378 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,1,0,0,1,0|2,0,0]=4 379 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,0,1,0|2,0,0]=4 380 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,1,0,0,1,0|2,0,0]=4 381 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,1,0,0,1,0|2,0,0]=4 384 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,1,0,0,1,0|1,0,0]=3 385 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,0,1,0|1,0,0]=3 386 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,1,0|1,0,0]=3 387 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,1,0|1,0,0]=3 388 B8R1.1 CCC1=NC(=S)NN1 8795AE [0,1,0,0,1,0|1,0,1]=4 389 B8R1.1 CCC1=NC(Br)=NN1 4964AD [0,1,0,0,1,0|1,0,0]=3 390 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,1,0|1,0,0]=3 391 B8R1.1 CCC1=NN=C(Br)S1 5943AE [0,1,0,0,1,0|2,0,0]=4 392 B8R1.1 CCC1=NN=C(Cl)S1 8655AE [0,1,0,0,1,0|2,0,0]=4 393 B8R1.1 CCC1=NN=C(N)N1 V4525 [0,1,0,0,1,0|1,0,1]=4 394 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,1,0,0,1,0|1,0,0]=3 395 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,1,0|1,0,0]=3 396 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,1,0,0,1,0|1,0,1]=4 397 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,1,0,0,1,0|1,0,1]=4 398 B8R1.1 CCN1C=NC(Br)=C1 1287AF [0,1,0,0,1,0|1,0,0]=3 399 B8R1.1 CCN1C=NC(N)=N1 3203AE [0,1,0,0,1,0|1,0,0]=3 400 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,1,0,0,1,0|2,0,0]=4 401 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,0,1,0|2,0,0]=4 402 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,0,1,0|2,0,0]=4 403 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,0,1,0|2,0,0]=4 404 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,1,0,0,1,0|1,0,1]=4 405 B8R1.1 CN1C=NC(CN)=C1 W6486 [0,1,0,0,1,0|1,0,1]=4 406 B8R1.1 CN1C=NC(CO)=C1 6785AC [0,1,0,0,1,0|1,0,1]=4 407 B8R1.1 CNC1=NOC(C)=C1 4341AJ [0,1,0,0,1,0|2,0,0]=4 408 B8R1.1 COC1=CC(N)=NN1 2004AA [0,1,0,0,1,0|2,0,0]=4 409 B8R1.1 COC1=CC(N)=NN1 5689AB [0,1,0,0,1,0|2,0,0]=4 410 B8R1.1 COC1=CC(N)=NO1 R093 [0,1,0,0,1,0|2,0,0]=4 411 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,1,0,0,1,0|2,0,0]=4 412 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,0,1,0|2,0,0]=4 413 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,0,1,0|2,0,0]=4 414 B8R1.1 CSC1=NNC(Cl)=N1 4602AE [0,1,0,0,1,0|2,0,0]=4 415 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,1,0,0,1,0|2,0,0]=4 416 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [0,1,0,0,1,0|2,0,0]=4 417 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,1,0,0,1,0|2,0,0]=4 418 B8R1.1 ClCC1=NSC(Cl)=N1 9091AE [0,1,0,0,1,0|2,0,0]=4 419 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,1,0,0,1,0|2,0,0]=4 420 B8R1.1 NC1=NC(CO)=NN1 Z3479 [0,1,0,0,1,0|2,0,0]=4 421 B8R1.1 NCC1=CC(Br)=NO1 W9337 [0,1,0,0,1,0|2,0,0]=4 422 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,1,0,0,1,0|2,0,0]=4 423 B8R1.1 NCC1=CC=C(Cl)S1 1146AL [0,1,0,0,1,0|2,0,0]=4 424 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,1,0,0,1,0|2,0,0]=4 425 B8R1.1 NCC1=NC=C(Br)S1 3893AJ [0,1,0,0,1,0|2,0,0]=4 426 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,1,0,0,1,0|2,0,0]=4 427 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,1,0,0,1,0|2,0,0]=4 428 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,1,0,0,1,0|2,0,0]=4 429 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,1,0,0,1,0|2,0,0]=4 430 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,1,0,0,1,0|2,0,0]=4 431 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,1,0,0,1,0|2,0,0]=4 432 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,1,0,0,1,0|1,0,1]=4 433 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,1,0,0,1,0|1,0,1]=4 434 B8R1.7 CC(=O)C1=NC=NN1 4769AD [0,1,0,0,1,0|1,0,1]=4 435 B8R1.7 CC(C)N1C=NC=N1 9796AB [0,1,0,0,1,0|1,0,0]=3 436 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,1,0,0,1,0|1,0,0]=3 437 B8R1.7 CC(N)C1=COC=C1 2007AB [0,1,0,0,1,0|1,0,0]=3 438 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,1,0,0,1,0|1,0,0]=3 439 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,1,0,0,1,0|1,0,0]=3 440 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,1,0,0,1,0|0,0,1]=3 441 B8R1.7 CC(O)C1=CNC=N1 1361AL [0,1,0,0,1,0|0,0,1]=3 442 B8R1.7 CC(O)C1=COC=C1 3660AD [0,1,0,0,1,0|1,0,0]=3 443 B8R1.7 FC(F)N1C=CC=N1 5122AC [0,1,0,0,1,0|2,0,0]=4 444 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,1,0,0,1,0|1,0,0]=3 445 B8R1.8 BrCCC1=CSC=C1 W7060 [0,1,0,0,1,0|1,0,0]=3 446 B8R1.8 BrCCN1C=CC=C1 Y4087 [0,1,0,0,1,0|2,0,0]=4 447 B8R1.8 C=CCN1C=CC=N1 9666AH [0,1,0,0,1,0|1,0,1]=4 448 B8R1.8 CCCC1=CC=CO1 Z5525 [0,1,0,0,1,0|1,0,0]=3 449 B8R1.8 CCCC1=CSC=C1 Z5466 [0,1,0,0,1,0|1,0,0]=3 450 B8R1.8 CCCC1=NN=CO1 5829AA [0,1,0,0,1,0|2,0,0]=4 451 B8R1.8 CCNC1=CC=CS1 W4294 [0,1,0,0,1,0|1,0,0]=3 452 B8R1.8 CCNC1=NC=CS1 4125AJ [0,1,0,0,1,0|1,0,0]=3 453 B8R1.8 CNCC1=CC=NN1 0420AC [0,1,0,0,1,0|1,0,0]=3 454 B8R1.8 CNCC1=CC=NO1 4172AJ [0,1,0,0,1,0|1,0,0]=3 455 B8R1.8 CNCC1=COC=C1 7832AD [0,1,0,0,1,0|1,0,0]=3 456 B8R1.8 CNCC1=CSC=N1 3622AA [0,1,0,0,1,0|1,0,0]=3 457 B8R1.8 CNCC1=NC=CN1 4097AE [0,1,0,0,1,0|0,0,1]=3 458 B8R1.8 CNCC1=NC=CS1 4356AD [0,1,0,0,1,0|1,0,0]=3 459 B8R1.8 CNCC1=NOC=C1 4335AJ [0,1,0,0,1,0|1,0,0]=3 460 B8R1.8 CNCC1=NOC=C1 7285AH [0,1,0,0,1,0|1,0,0]=3 461 B8R1.8 COCN1C=CN=C1 X6041 [0,1,0,0,1,0|1,0,0]=3 462 B8R1.8 ClCCC1=CNC=N1 X4176 [0,1,0,0,1,0|0,0,1]=3 463 B8R1.8 ClCCC1=CNN=C1 9537AF [0,1,0,0,1,0|1,0,0]=3 464 B8R1.8 ClCCN1C=CC=C1 X4634 [0,1,0,0,1,0|2,0,0]=4 465 B8R1.8 N#CCC1=CC=CN1 1010AJ [0,1,0,0,1,0|0,0,2]=4 466 B8R1.8 N#CCC1=CNC=N1 W3999 [0,1,0,0,1,0|0,0,2]=4 467 B8R1.8 N#CCC1=NNC=C1 Z1629 [0,1,0,0,1,0|1,0,1]=4 468 B8R1.8 NCCC1=CC=CN1 1070AJ [0,1,0,0,1,0|0,0,1]=3 469 B8R1.8 NCCC1=CC=CN1 5556AB [0,1,0,0,1,0|0,0,1]=3 470 B8R1.8 NCCC1=CON=C1 5076AH [0,1,0,0,1,0|1,0,0]=3 471 B8R1.8 NCCC1=CSC=N1 2066AC [0,1,0,0,1,0|1,0,0]=3 472 B8R1.8 NCCC1=NC=CN1 9985AA [0,1,0,0,1,0|0,0,1]=3 473 B8R1.8 NCCC1=NC=CS1 5806AE [0,1,0,0,1,0|1,0,0]=3 474 B8R1.8 NCCC1=NC=CS1 Y1661 [0,1,0,0,1,0|1,0,0]=3 475 B8R1.8 NCCC1=NC=NN1 1050AJ [0,1,0,0,1,0|1,0,0]=3 476 B8R1.8 NCCC1=NC=NN1 9546AE [0,1,0,0,1,0|1,0,0]=3 477 B8R1.8 NCCC1=NNC=C1 4102AD [0,1,0,0,1,0|1,0,0]=3 478 B8R1.8 NCCN1C=CC=C1 3045AB [0,1,0,0,1,0|2,0,0]=4 479 B8R1.8 NCCN1C=CN=C1 4503AH [0,1,0,0,1,0|1,0,0]=3 480 B8R1.8 NCCN1C=CN=C1 8445AB [0,1,0,0,1,0|1,0,0]=3 481 B8R1.8 NCCN1C=NC=N1 7160AB [0,1,0,0,1,0|1,0,0]=3 482 B8R1.8 NCCN1C=NC=N1 Y5405 [0,1,0,0,1,0|1,0,0]=3 483 B8R1.8 NCCN1C=NN=C1 5228AJ [0,1,0,0,1,0|2,0,0]=4 484 B8R1.8 OCCC1=CSC=C1 J11110 [0,1,0,0,1,0|1,0,0]=3 485 B8R1.8 OCCC1=NNC=C1 1008AJ [0,1,0,0,1,0|1,0,0]=3 486 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,1,0,0,1,0|2,0,0]=4 487 B8R1.11 CC1=C(CN)C=NN1 1085AA [0,1,0,0,1,0|2,0,0]=4 488 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,1,0,0,1,0|2,0,0]=4 489 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,0,1,0|2,0,0]=4 490 B8R1.11 CC1=C(CO)OC=N1 3918AE [0,1,0,0,1,0|2,0,0]=4 491 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.11 CC1=NOC=C1CN 6776AA [0,1,0,0,1,0|2,0,0]=4 493 B8R1.11 CC1=NON=C1CBr 2757AF [0,1,0,0,1,0|2,0,0]=4 494 B8R1.11 CC1=NON=C1CN 0152AE [0,1,0,0,1,0|2,0,0]=4 495 B8R1.11 CC1=NON=C1CN 2596AA [0,1,0,0,1,0|2,0,0]=4 496 B8R1.11 CCC1=NNC=C1I 2420AL [0,1,0,0,1,0|1,0,0]=3 497 B8R1.11 CCN1C=NN=C1S 2716AL [0,1,0,0,1,0|2,0,0]=4 498 B8R1.11 CCN1N=CC=C1Br 5279AA [0,1,0,0,1,0|1,0,0]=3 499 B8R1.11 CCN1N=CC=C1I V2890 [0,1,0,0,1,0|1,0,0]=3 500 B8R1.11 CCN1N=CN=C1Br 7401AE [0,1,0,0,1,0|1,0,0]=3 501 B8R1.11 CCN1N=NN=C1S D293 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.11 CN1C=CC=C1CN Y9856 [0,1,0,0,1,0|1,0,1]=4 503 B8R1.11 CN1C=CC=C1CO 7329AB [0,1,0,0,1,0|1,0,1]=4 504 B8R1.11 CN1C=CN=C1CN 4586AA [0,1,0,0,1,0|1,0,1]=4 505 B8R1.11 CN1N=CN=C1CO 5420AC [0,1,0,0,1,0|2,0,0]=4 506 B8R1.11 CNC1=NC=CN1C 1684AA [0,1,0,0,1,0|1,0,1]=4 507 B8R1.11 COC1=NON=C1N 9711AE [0,1,0,0,1,0|2,0,0]=4 508 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.11 ClCC1=C(Cl)SC=C1 B880 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.11 NC1=C(CO)SC=C1 8607AH [0,1,0,0,1,0|2,0,0]=4 511 B8R1.11 NCC1=C(Br)C=CS1 2035AC [0,1,0,0,1,0|2,0,0]=4 512 B8R1.11 NCC1=C(Br)C=CS1 4220AA [0,1,0,0,1,0|2,0,0]=4 513 B8R1.11 OCC1=C(Cl)N=CS1 0635AA [0,1,0,0,1,0|2,0,0]=4 514 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [0,2,0,0,0,0|2,0,0]=4 515 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.1 CC1=NC=C(CC#N)C=C1 7400AB [0,2,0,0,0,0|1,0,1]=4 517 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [0,2,0,0,0,0|2,0,0]=4 518 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [0,2,0,0,0,0|2,0,0]=4 519 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [0,2,0,0,0,0|2,0,0]=4 521 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [0,2,0,0,0,0|2,0,0]=4 522 B10R1.1 CCNC1=NC=C(Br)C=C1 W8816 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.1 CCNC1=NC=C(Br)C=N1 V5881 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.1 CCOC1=CN=C(Cl)C=C1 Z5197 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.1 CCOC1=CN=C(Cl)N=C1 2711AC [0,2,0,0,0,0|2,0,0]=4 526 B10R1.1 CCOC1=CN=C(N)C=C1 W9273 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,2,0,0,0,0|1,0,0]=3 528 B10R1.1 CNCC1=CC=C(Cl)N=C1 9680AL [0,2,0,0,0,0|1,0,0]=3 529 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [0,2,0,0,0,0|2,0,0]=4 530 B10R1.1 CNCC1=CN=C(C)N=C1 Z4024 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,2,0,0,0,0|2,0,0]=4 532 B10R1.1 N#CCC1=CN=C(Br)C=C1 7149AA [0,2,0,0,0,0|1,0,1]=4 533 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [0,2,0,0,0,0|1,0,0]=3 534 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [0,2,0,0,0,0|2,0,0]=4 535 B10R1.3 C#CC1=CC=C(OC)N=C1 0197AC [0,2,0,0,0,0|2,0,0]=4 536 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [0,2,0,0,0,0|2,0,0]=4 537 B10R1.3 CCC1=CC=C(NN)C=C1 8775AH [0,2,0,0,0,0|2,0,0]=4 538 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [0,2,0,0,0,0|1,0,0]=3 539 B10R1.3 CCC1=NC=C(C=O)C=N1 S530 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [0,2,0,0,0,0|2,0,0]=4 541 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [0,2,0,0,0,0|2,0,0]=4 543 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [0,2,0,0,0,0|2,0,0]=4 545 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.3 N#CC1=CC=C(CN)C=N1 5786AH [0,2,0,0,0,0|2,0,0]=4 547 B10R1.3 N#CC1=CC=C(CN)C=N1 9499AA [0,2,0,0,0,0|2,0,0]=4 548 B10R1.3 N#CC1=CN=C(CBr)C=C1 Z4225 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.3 N#CC1=CN=C(CCl)C=C1 2881AC [0,2,0,0,0,0|2,0,0]=4 550 B10R1.3 N#CC1=CN=C(CO)C=C1 3483AB [0,2,0,0,0,0|2,0,0]=4 551 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,2,0,0,0,0|1,0,1]=4 553 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,2,0,0,0,0|0,0,1]=3 554 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [0,2,0,0,0,0|1,0,0]=3 555 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 W7245 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,2,0,0,0,0|2,0,0]=4 558 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [0,2,0,0,0,0|2,0,0]=4 559 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [0,2,0,0,0,0|1,0,0]=3 560 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [0,2,0,0,0,0|1,0,0]=3 561 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [0,2,0,0,0,0|2,0,0]=4 562 B10R1.13 CC(O)C1=NC=C(F)C=N1 W9323 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [0,2,0,0,0,0|1,0,0]=3 564 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [0,2,0,0,0,0|1,0,0]=3 565 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [0,2,0,0,0,0|2,0,0]=4 567 B10R1.13 CC1=CN=C(C(=N)N)C=N1 1246AC [0,2,0,0,0,0|1,0,1]=4 568 B10R1.13 CC1=CN=C(C(=N)N)C=N1 2786AA [0,2,0,0,0,0|1,0,1]=4 569 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [0,2,0,0,0,0|2,0,0]=4 572 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,2,0,0,0,0|2,0,0]=4 573 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,2,0,0,0,0|2,0,0]=4 575 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 8632AE [0,2,0,0,0,0|2,0,0]=4 576 B10R1.13 NC(=O)C1=CN=C(N)C=N1 4750AC [0,2,0,0,0,0|1,0,1]=4 577 B10R1.13 NC1=CC=C(C(F)F)N=C1 5273AC [0,2,0,0,0,0|2,0,0]=4 578 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 X9187 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.25 CC1=CC(Br)=CN=C1CN Z0423 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [0,2,0,0,0,0|2,0,0]=4 581 B10R1.25 CC1=NC(Cl)=C(C#N)N=C1 9508AA [0,2,0,0,0,0|1,0,1]=4 582 B10R1.25 CCC1=C(N)C=C(C)N=C1 7618AB [0,2,0,0,0,0|1,0,0]=3 583 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [0,2,0,0,0,0|2,0,0]=4 584 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.25 CCC1=CN=C(C)C=C1Br 6901AC [0,2,0,0,0,0|1,0,0]=3 587 B10R1.25 CNC1=C(Cl)C=C(N)C=N1 2678AD [0,2,0,0,0,0|2,0,0]=4 588 B10R1.25 CNC1=NC=C(Br)C=C1N V8817 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.25 COC1=C(Br)N=C(N)C=C1 Y4109 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.25 COC1=C(Cl)C=C(Br)N=C1 4837AA [0,2,0,0,0,0|2,0,0]=4 591 B10R1.25 COC1=C(F)N=C(Br)C=C1 Z0881 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.25 COC1=CC=C(Cl)N=C1Cl Y3831 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.25 COC1=CC=C(F)N=C1C Y3903 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.25 COC1=CC=C(N)N=C1Cl 4511AC [0,2,0,0,0,0|2,0,0]=4 595 B10R1.25 COC1=CN=C(Br)C=C1O 6191AA [0,2,0,0,0,0|2,0,0]=4 596 B10R1.25 COC1=CN=C(Cl)C=C1Br Z6486 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.25 COC1=NC=C(Br)C=C1O 3121AJ [0,2,0,0,0,0|2,0,0]=4 598 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.25 COC1=NC=C(Cl)C=C1Cl 6237AA [0,2,0,0,0,0|2,0,0]=4 601 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [0,2,0,0,0,0|2,0,0]=4 602 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.25 CSC1=NC=C(Br)C=C1Br Z0015 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.25 N#CC1=NC=C(Cl)N=C1N Y9426 [0,2,0,0,0,0|1,0,1]=4 606 B10R1.25 NC1=C(CO)C=NC(Cl)=C1 3013AC [0,2,0,0,0,0|2,0,0]=4 607 B10R1.25 NC1=NC(Cl)=CN=C1C=O 4744AC [0,2,0,0,0,0|1,0,1]=4 608 B10R1.25 NCC1=NC=C(Cl)C=C1Br V3316 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.25 NCC1=NC=C(F)C=C1F 1234AJ [0,2,0,0,0,0|2,0,0]=4 610 B10R1.25 NCC1=NC=C(F)C=C1F Y4056 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 2625AB [0,2,0,0,0,0|2,0,0]=4 612 B10R1.25 OCC1=CC=C(Br)N=C1Cl 4356AA [0,2,0,0,0,0|2,0,0]=4 613 B10R1.25 OCC1=NC=C(Br)C=C1Br 4357AA [0,2,0,0,0,0|2,0,0]=4 614 B10R1.176 CC1=C(Br)C=C(CO)N=C1 8751AH [0,2,0,0,0,0|2,0,0]=4 615 B10R1.176 CC1=C(Br)C=CC(CO)=N1 Z0160 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [0,2,0,0,0,0|2,0,0]=4 617 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [0,2,0,0,0,0|2,0,0]=4 618 B10R1.176 CCC1=CC(F)=C(N)C=C1 3498AA [0,2,0,0,0,0|2,0,0]=4 619 B10R1.176 CCC1=CC(N)=C(F)C=C1 7951AA [0,2,0,0,0,0|2,0,0]=4 620 B10R1.176 CCC1=CC(N)=C(N)C=C1 2716AA [0,2,0,0,0,0|2,0,0]=4 621 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [0,2,0,0,0,0|2,0,0]=4 622 B10R1.176 CCC1=CN=C(C)C(Br)=C1 5301AH [0,2,0,0,0,0|1,0,0]=3 623 B10R1.176 CNC1=NC=C(Br)C(C)=C1 V3524 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.176 COC1=CC(Br)=C(F)C=N1 4132AC [0,2,0,0,0,0|2,0,0]=4 625 B10R1.176 COC1=CC=C(Cl)C(C)=N1 Z8658 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.176 COC1=CN=C(Br)C(N)=C1 X8710 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.176 COC1=CN=C(C)C(Br)=C1 X3672 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.176 COC1=CN=C(Cl)C(Br)=C1 Z6642 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.176 COC1=CN=C(Cl)C(N)=C1 Y3226 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.176 COC1=NC(C)=C(F)C=C1 N171 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.176 COC1=NC=C(Cl)C(I)=C1 9719AL [0,2,0,0,0,0|2,0,0]=4 632 B10R1.176 COC1=NC=C(Cl)C(O)=C1 Y3794 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.176 COC1=NC=C(F)C(N)=C1 8645AB [0,2,0,0,0,0|2,0,0]=4 634 B10R1.176 CSC1=NC(C)=C(Br)C=C1 Z0023 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.176 OCC1=CC=C(O)C(Cl)=N1 0668AB [0,2,0,0,0,0|2,0,0]=4 636 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 Y7094 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.2 CC1=C(CO)C=NC=C1Br Z0537 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.2 CCC1=CC=CC(C)=C1C Y4741 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.2 COC1=C(I)C(N)=CC=N1 3211AA [0,2,0,0,0,0|2,0,0]=4 640 B10R1.2 COC1=CN=CC(N)=C1C 3008AA [0,2,0,0,0,0|2,0,0]=4 641 B10R1.2 COC1=CN=CC(N)=C1Cl Z7314 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.2 COC1=CN=CC(N)=C1I 8003AC [0,2,0,0,0,0|2,0,0]=4 643 B10R1.2 COC1=NC=CC(Br)=C1C 2150AA [0,2,0,0,0,0|2,0,0]=4 644 B10R1.2 COC1=NC=CC(C)=C1N 9447AA [0,2,0,0,0,0|2,0,0]=4 645 B10R1.8 CC1=CC(CBr)=NC(C)=C1 4858AH [0,2,0,0,0,0|2,0,0]=4 646 B10R1.8 CC1=CC(CBr)=NC(C)=C1 Y5556 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.8 CC1=CC(CN)=NC(C)=C1 Y4026 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.8 CC1=CC(CO)=NC(C)=C1 Y5315 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.8 CCC1=CC(C)=CC(C)=C1 6770AL [0,2,0,0,0,0|2,0,0]=4 650 B10R1.8 CCC1=CC(C)=CC(O)=C1 0816AC [0,2,0,0,0,0|2,0,0]=4 651 B10R1.8 CCC1=CC(N)=NC(C)=N1 2639AF [0,2,0,0,0,0|2,0,0]=4 652 B10R1.8 CCC1=CC(N)=NC(N)=N1 7174AB [0,2,0,0,0,0|2,0,0]=4 653 B10R1.8 CCC1=NC(C)=NC(Cl)=C1 4939AC [0,2,0,0,0,0|2,0,0]=4 654 B10R1.8 CCC1=NC(Cl)=CC(N)=N1 W9837 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.10 CC#CC1=CN=CC(Br)=C1 5484AC [0,2,0,0,0,0|1,0,1]=4 656 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [0,2,0,0,0,0|2,0,0]=4 657 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [0,2,0,0,0,0|1,0,0]=3 658 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [0,2,0,0,0,0|2,0,0]=4 659 B10R1.10 CCCC1=CC(O)=CC=N1 2583AA [0,2,0,0,0,0|1,0,0]=3 660 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,2,0,0,0,0|1,0,0]=3 661 B10R1.10 CCCC1=NC=CC(N)=N1 1873AJ [0,2,0,0,0,0|2,0,0]=4 662 B10R1.10 CCNC1=CC=CC(Cl)=C1 W3328 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.10 CCNC1=CC=CC(O)=C1 W2908 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.10 CCNC1=CN=CC(Cl)=N1 V9758 [0,2,0,0,0,0|0,0,0]=2 665 B10R1.10 CCOC1=CC(=O)C=CN1 0560AA [0,2,0,0,0,0|1,0,1]=4 666 B10R1.10 CCOC1=CC(S)=CC=C1 L529 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.10 CCOC1=CC=CC(N)=N1 Y4042 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.10 CCOC1=NC(Cl)=NC=C1 Z2534 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.10 CCOC1=NC=CC(=O)N1 Z2552 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.10 CCOC1=NC=CC(Cl)=C1 W8817 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.10 CCSC1=NC=CC(N)=N1 5302AE [0,2,0,0,0,0|2,0,0]=4 672 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [0,2,0,0,0,0|2,0,0]=4 673 B10R1.10 CNCC1=NC=CC(C)=C1 8285AC [0,2,0,0,0,0|1,0,0]=3 674 B10R1.10 COCC1=CN=CC(Br)=C1 Z0267 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.10 N#CCC1=NC(Cl)=CC=C1 Y6377 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.10 N#CCC1=NC(F)=CC=C1 3329AB [0,2,0,0,0,0|1,0,1]=4 677 B10R1.10 NCCC1=CC=CC(Br)=N1 5436AB [0,2,0,0,0,0|1,0,0]=3 678 B10R1.10 NCCC1=NC(Br)=CC=C1 5025AA [0,2,0,0,0,0|1,0,0]=3 679 B10R1.30 CC1=CC=C(O)C(CCl)=N1 6881AC [0,2,0,0,0,0|2,0,0]=4 680 B10R1.30 CC1=CN=C(C)C(C#N)=N1 1801AB [0,2,0,0,0,0|1,0,1]=4 681 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 Y9301 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.30 CC1=CN=C(N)C(C#N)=N1 9376AA [0,2,0,0,0,0|1,0,1]=4 683 B10R1.30 CCC1=CC(Cl)=NN=C1Cl V2421 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.30 CCN1N=C(Cl)C=CC1=O 3501AJ [0,2,0,0,0,0|2,0,0]=4 685 B10R1.30 CNC1=NC(Cl)=CC=C1N 4858AC [0,2,0,0,0,0|2,0,0]=4 686 B10R1.30 COC1=C(Br)C=CC(Br)=N1 Y2450 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [0,2,0,0,0,0|2,0,0]=4 690 B10R1.30 COC1=CC(Br)=CN=C1I V9442 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.30 COC1=CC(C)=CN=C1Cl Z8217 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [0,2,0,0,0,0|2,0,0]=4 694 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.30 COC1=NC(Br)=CN=C1Br Y5449 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.30 COC1=NC(Cl)=CN=C1N W8970 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.30 ClCC1=NC(Cl)=CC=C1Cl 6146AE [0,2,0,0,0,0|2,0,0]=4 699 B10R1.30 N#CC1=NC(Br)=CN=C1Cl 4853AA [0,2,0,0,0,0|1,0,1]=4 700 B10R1.30 N#CC1=NC(F)=CN=C1F 4463AB [0,2,0,0,0,0|1,0,1]=4 701 B10R1.30 NC1=C(CO)C=C(I)C=N1 6773AE [0,2,0,0,0,0|2,0,0]=4 702 B10R1.30 NC1=NC=C(Cl)N=C1C=O Z5290 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 Y6584 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.30 OCC1=CC(Br)=CN=C1Br Y3885 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.30 OCC1=NC(Br)=CC=C1Cl 2557AD [0,2,0,0,0,0|2,0,0]=4 706 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 W6093 [0,2,0,0,0,0|1,0,1]=4 707 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,2,0,0,0,0|1,0,1]=4 708 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,2,0,0,0,0|1,0,1]=4 709 B10R1.113 CC(C)C1=CC(N)=NC=N1 9682AC [0,2,0,0,0,0|2,0,0]=4 710 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.113 CC(C)C1=CC=NC(O)=N1 3007AD [0,2,0,0,0,0|2,0,0]=4 712 B10R1.113 CC(C)C1=NC(N)=NC=C1 8543AB [0,2,0,0,0,0|2,0,0]=4 713 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [0,2,0,0,0,0|1,0,0]=3 714 B10R1.113 CC(C)C1=NC=CC(N)=N1 2378AA [0,2,0,0,0,0|2,0,0]=4 715 B10R1.113 CC1=CC(C(C)N)=NC=C1 5999AE [0,2,0,0,0,0|1,0,0]=3 716 B10R1.113 CC1=CC(N(C)C)=NC=C1 0347AB [0,2,0,0,0,0|2,0,0]=4 717 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [0,2,0,0,0,0|2,0,0]=4 718 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,2,0,0,0,0|2,0,0]=4 719 B10R1.113 CC1=NC(C(C)N)=CC=C1 9513AH [0,2,0,0,0,0|1,0,0]=3 720 B10R1.113 CN(C)C1=CN=CC(I)=N1 3139AD [0,2,0,0,0,0|1,0,0]=3 721 B10R1.113 C[C@@H](N)C1=CC(O)=CC=C1 4775AE [0,2,0,0,0,0|2,0,0]=4 722 B10R1.113 C[C@@H](N)C1=CC=CC(N)=C1 1207AL [0,2,0,0,0,0|2,0,0]=4 723 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [0,2,0,0,0,0|2,0,0]=4 724 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 W5400 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.113 FC1=NC(C(F)F)=CC=C1 2272AE [0,2,0,0,0,0|2,0,0]=4 726 B10R1.172 CCC1=CC(CN)=NC=C1 3740AA [0,2,0,0,0,0|2,0,0]=4 727 B10R1.172 CCC1=CC(CO)=CC=C1 Z0865 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [0,2,0,0,0,0|2,0,0]=4 729 B10R1.172 CCC1=CC=CC(CO)=N1 Z4253 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.172 CCC1=CC=CC(NN)=C1 8644AH [0,2,0,0,0,0|2,0,0]=4 731 B10R1.172 CCC1=NC(C=O)=CC=N1 5047AH [0,2,0,0,0,0|2,0,0]=4 732 B10R1.172 CCC1=NC(CC)=NC=C1 5339AJ [0,2,0,0,0,0|2,0,0]=4 733 B10R1.172 CNC1=CC(OC)=CN=C1 8852AH [0,2,0,0,0,0|2,0,0]=4 734 B10R1.172 COC1=CN=CC(C#N)=N1 Y5274 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.172 COC1=CN=CC(CO)=C1 Z1132 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.172 COC1=NC(CCl)=CC=C1 5471AB [0,2,0,0,0,0|2,0,0]=4 737 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [0,2,0,0,0,0|2,0,0]=4 738 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [0,2,0,0,0,0|2,0,0]=4 739 B10R1.172 COC1=NC=CC(SC)=C1 Z0163 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.172 ClCC1=CN=CC(CCl)=C1 5254AH [0,2,0,0,0,0|2,0,0]=4 741 B10R1.172 N#CC1=NC(CBr)=CC=C1 1014AA [0,2,0,0,0,0|2,0,0]=4 742 B10R1.172 NCC1=CC=CC(CO)=N1 Y9256 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.172 O=CC1=NC(CO)=CC=C1 Y8988 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,2,0,0,0,0|2,0,0]=4 745 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,2,0,0,0,0|0,0,0]=2 746 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,2,0,0,0,0|2,0,0]=4 747 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,2,0,0,0,0|2,0,0]=4 748 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [0,2,0,0,0,0|1,0,0]=3 749 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [0,2,0,0,0,0|1,0,0]=3 750 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,2,0,0,0,0|1,0,0]=3 751 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,2,0,0,0,0|2,0,0]=4 752 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,2,0,0,0,0|2,0,0]=4 753 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.15 COC(=N)C1=NC=CN=C1 9109AE [0,2,0,0,0,0|0,0,1]=3 755 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [0,2,0,0,0,0|2,0,0]=4 757 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [0,2,0,0,0,0|2,0,0]=4 758 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [0,2,0,0,0,0|1,0,0]=3 759 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,2,0,0,0,0|1,0,1]=4 761 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,2,0,0,0,0|1,0,1]=4 762 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [0,2,0,0,0,0|2,0,0]=4 763 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,2,0,0,0,0|2,0,0]=4 764 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [0,2,0,0,0,0|1,0,0]=3 765 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [0,2,0,0,0,0|1,0,0]=3 766 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [0,2,0,0,0,0|1,0,0]=3 767 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [0,2,0,0,0,0|1,0,0]=3 768 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,2,0,0,0,0|1,0,1]=4 769 B10R1.15 O=C(CBr)C1=NC=CN=C1 Z2340 [0,2,0,0,0,0|0,0,1]=3 770 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [0,2,0,0,0,0|1,0,0]=3 772 B10R1.28 CC(F)(F)C1=CN=CC=C1 9489AC [0,2,0,0,0,0|1,0,0]=3 773 B10R1.28 CC(F)(F)C1=CN=CC=N1 8821AC [0,2,0,0,0,0|0,0,0]=2 774 B10R1.28 CC(F)(F)C1=NC=CC=C1 9488AC [0,2,0,0,0,0|1,0,0]=3 775 B10R1.28 C[Sn](C)(C)C1=CC=CC=N1 9304AL [0,2,0,0,0,0|2,0,0]=4 776 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,2,0,0,0,0|1,0,1]=4 777 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,2,0,0,0,0|1,0,1]=4 778 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,2,0,0,0,0|1,0,1]=4 779 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,2,0,0,0,0|0,0,1]=3 780 B10R1.61 CC(=O)C1=NC=CN=C1N 3777AA [0,2,0,0,0,0|0,0,1]=3 781 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 0417AA [0,2,0,0,0,0|2,0,0]=4 783 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,2,0,0,0,0|2,0,0]=4 784 B10R1.61 CC(O)C1=CC=CN=C1F Z0851 [0,2,0,0,0,0|1,0,0]=3 785 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,2,0,0,0,0|1,0,0]=3 786 B10R1.61 CC(O)C1=NC=CC=C1F N325 [0,2,0,0,0,0|1,0,0]=3 787 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,2,0,0,0,0|2,0,0]=4 788 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,2,0,0,0,0|2,0,0]=4 789 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,2,0,0,0,0|1,0,0]=3 793 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,2,0,0,0,0|1,0,0]=3 794 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,2,0,0,0,0|2,0,0]=4 795 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,2,0,0,0,0|1,0,0]=3 797 B10R1.61 FC(F)C1=C(Br)C=CC=N1 1063AD [0,2,0,0,0,0|2,0,0]=4 798 B10R1.61 FC1=NC=CC=C1C(F)F 4047AD [0,2,0,0,0,0|2,0,0]=4 799 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [0,2,0,0,0,0|1,0,0]=3 801 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [0,2,0,0,0,0|2,0,0]=4 802 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [0,2,0,0,0,0|1,0,0]=3 804 B10R1.4 CCOC1=C(Cl)C=CC=N1 9905AL [0,2,0,0,0,0|1,0,0]=3 805 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [0,2,0,0,0,0|1,0,0]=3 806 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [0,2,0,0,0,0|1,0,0]=3 807 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,2,0,0,0,0|2,0,0]=4 808 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,2,0,0,0,0|1,0,1]=4 809 B10R1.4 CCOC1=NC=CC=C1F 3378AC [0,2,0,0,0,0|1,0,0]=3 810 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [0,2,0,0,0,0|1,0,0]=3 811 B10R1.4 N#CCC1=C(Cl)C=CC=N1 1101AJ [0,2,0,0,0,0|1,0,1]=4 812 B10R1.4 N#CCC1=NC=CC=C1Br 1096AJ [0,2,0,0,0,0|1,0,1]=4 813 B10R1.4 N#CCC1=NC=CC=C1F 1107AJ [0,2,0,0,0,0|1,0,1]=4 814 B10R1.4 N#CCC1=NC=CN=C1Cl X0224 [0,2,0,0,0,0|0,0,1]=3 815 B10R1.4 NCCC1=CC=CC=C1O Z4391 [0,2,0,0,0,0|2,0,0]=4 816 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [0,2,0,0,0,0|1,0,1]=4 817 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,2,0,0,0,0|1,0,0]=3 818 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [0,2,0,0,0,0|1,0,0]=3 819 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [0,2,0,0,0,0|1,0,0]=3 820 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,2,0,0,0,0|1,0,0]=3 821 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,2,0,0,0,0|1,0,0]=3 822 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [0,2,0,0,0,0|1,0,0]=3 823 B10R1.17 NCCSC1=CC=CC=C1 6800AD [0,2,0,0,0,0|2,0,0]=4 824 B10R1.17 NCCSC1=CC=CC=N1 3135AE [0,2,0,0,0,0|1,0,0]=3 825 B10R1.17 OCCCC1=CCC=CC1 X3903 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.17 OCCSC1=CC=CC=C1 K990 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [0,2,0,0,0,0|1,0,1]=4 828 B10R1.17 OC\C=C\C1=NC=CC=C1 5626AJ [0,2,0,0,0,0|1,0,1]=4 829 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.17 [N-]=[N+]=NCC1=CC=CC=N1 6614AE [0,2,0,0,0,0|2,0,0]=4 831 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,2,0,0,0,0|1,0,0]=3 832 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,2,0,0,0,0|0,0,0]=2 833 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [0,2,0,0,0,0|0,0,0]=2 834 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,2,0,0,0,0|1,0,0]=3 835 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,2,0,0,0,0|0,0,0]=2 836 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,2,0,0,0,0|2,0,0]=4 837 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,2,0,0,0,0|1,0,1]=4 838 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,2,0,0,0,0|1,0,1]=4 839 B10R1.20 CCC1=CC=CC=C1NN 6499AD [0,2,0,0,0,0|2,0,0]=4 840 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [0,2,0,0,0,0|2,0,0]=4 841 B10R1.20 CNC1=NC=CC=C1OC 2444AL [0,2,0,0,0,0|2,0,0]=4 842 B10R1.20 COC1=C(CN)C=CC=N1 2549AA [0,2,0,0,0,0|2,0,0]=4 843 B10R1.20 COC1=CC=CN=C1CN 8861AB [0,2,0,0,0,0|2,0,0]=4 844 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,2,0,0,0,0|2,0,0]=4 845 B10R1.20 COC1=CC=NC=C1OC 1881AA [0,2,0,0,0,0|2,0,0]=4 846 B10R1.20 ClCC1=NC=CN=C1CCl 7070AB [0,2,0,0,0,0|1,0,0]=3 847 B10R1.20 N#CC1=C(CO)C=CC=N1 5883AA [0,2,0,0,0,0|2,0,0]=4 848 B10R1.20 N#CC1=CC=CN=C1CCl 3089AC [0,2,0,0,0,0|2,0,0]=4 849 B10R1.20 N#CC1=NC=CC=C1CBr 2766AA [0,2,0,0,0,0|2,0,0]=4 850 B10R1.245 OCC1=C(Br)C=CN=C1Cl 9907AL [0,2,0,0,0,0|2,0,0]=4 851 B10R1.245 OCC1=C(I)C=CN=C1Cl 4123AC [0,2,0,0,0,0|2,0,0]=4 852 B10R1.245 OCC1=C(I)C=CN=C1F N382 [0,2,0,0,0,0|2,0,0]=4 853 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [0,1,0,1,0,0|2,0,0]=4 854 B10R2.7 C1=CC2=C(C=N1)CCN2 1361AJ [0,1,0,1,0,0|1,0,0]=3 855 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [0,1,0,1,0,0|1,0,0]=3 856 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [0,1,0,1,0,0|1,0,0]=3 857 B10R2.7 C1=CN=C2CNCC2=C1 V7126 [0,1,0,1,0,0|1,0,0]=3 858 B10R2.7 C1=CN=C2CNCC2=C1 W3224 [0,1,0,1,0,0|1,0,0]=3 859 B10R2.7 C1=CN=C2CNCC2=N1 6417AJ [0,1,0,1,0,0|0,0,0]=2 860 B10R2.7 C1=CN=C2SC=CC2=N1 W6994 [0,1,0,1,0,0|0,0,2]=4 861 B10R2.7 C1=NC=NC2=C1CNC2 3097AA [0,1,0,1,0,0|2,0,0]=4 862 B10R2.7 C1=NC=NC2=C1CNC2 3376AJ [0,1,0,1,0,0|2,0,0]=4 863 B10R2.7 C1=NC=NC2=C1CNC2 W3417 [0,1,0,1,0,0|2,0,0]=4 864 B6R1.2 BrC1=CC=NS1 7852AB [1,0,0,0,1,0|2,0,0]=4 865 B6R1.2 BrC1=NSC=C1 Z4879 [1,0,0,0,1,0|2,0,0]=4 866 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,1,0|1,0,1]=4 867 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,1,0|1,0,0]=3 868 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,1,0|2,0,0]=4 869 B6R1.2 CC1=NC=CO1 1470AB [1,0,0,0,1,0|1,0,0]=3 870 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,1,0|1,0,0]=3 871 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,1,0|1,0,0]=3 872 B6R1.2 CN1C=NN=N1 X6249 [1,0,0,0,1,0|2,0,0]=4 873 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,1,0|2,0,0]=4 874 B6R1.2 ClC1=NC=NS1 W5914 [1,0,0,0,1,0|2,0,0]=4 875 B6R1.2 NC1=CN=CN1 0957AP [1,0,0,0,1,0|1,0,1]=4 876 B6R1.2 NC1=CN=CN1 5028AA [1,0,0,0,1,0|1,0,1]=4 877 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,1,0|1,0,1]=4 878 B6R1.2 NC1=CON=C1 X8883 [1,0,0,0,1,0|2,0,0]=4 879 B6R1.2 NC1=CSN=C1 2850AJ [1,0,0,0,1,0|2,0,0]=4 880 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,1,0|2,0,0]=4 881 B6R1.2 OC1=NC=CS1 W8616 [1,0,0,0,1,0|2,0,0]=4