0 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 C#CC1=CC=C(Cl)N=C1 2313AB [0,0,0,0,0,0|2,0,2]=4 2 B9R1.1 C#CC1=CN=C(F)C=C1 3250AC [0,0,0,0,0,0|2,0,2]=4 3 B9R1.1 C#CC1=NC=C(Cl)C=C1 3376AA [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [0,0,0,0,0,0|2,0,2]=4 6 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.1 CC1=CN=C(C#N)N=C1 4938AB [0,0,0,0,0,0|3,0,1]=4 9 B9R1.1 CC1=CN=C(C=O)N=C1 5145AC [0,0,0,0,0,0|3,0,1]=4 10 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.1 CC1=CN=C(CN)C=N1 N635 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.1 CC1=CN=C(CN)N=C1 5734AC [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 CC1=CN=C(CN)N=C1 8860AH [0,0,0,0,0,0|3,0,0]=3 14 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,0,0,0,0,0|3,0,0]=3 15 B9R1.1 CC1=NC=C(CBr)C=N1 2514AC [0,0,0,0,0,0|3,0,0]=3 16 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [0,0,0,0,0,0|3,0,0]=3 19 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,0,0,0,0,0|2,0,0]=2 20 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [0,0,0,0,0,0|2,0,0]=2 22 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.1 CCC1=CN=C(N)N=C1 W5969 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,0,0,0,0,0|2,0,1]=3 25 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.1 CNC1=CC=C(N)C=C1 F921 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.1 CNC1=NC=C(Br)N=C1 3163AJ [0,0,0,0,0,0|2,0,0]=2 28 B9R1.1 COC1=CC=C(C)N=C1 8055AB [0,0,0,0,0,0|2,0,0]=2 29 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.1 COC1=CN=C(I)C=N1 6098AC [0,0,0,0,0,0|2,0,0]=2 31 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.1 CSC1=NC=C(C)C=N1 Z2994 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.1 CSC1=NC=C(Cl)C=N1 2139AL [0,0,0,0,0,0|4,0,0]=4 35 B9R1.1 CSC1=NC=C(O)C=N1 Z4789 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [0,0,0,0,0,0|4,0,0]=4 37 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,0,0,0,0,0|3,0,0]=3 38 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.1 ClCC1=CN=C(Cl)N=C1 7390AA [0,0,0,0,0,0|4,0,0]=4 40 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,0,0,0,0,0|3,0,0]=3 41 B9R1.1 ClCC1=NN=C(Cl)C=C1 Z2720 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [0,0,0,0,0,0|3,0,0]=3 43 B9R1.1 N#CC1=CN=C(I)C=C1 V4938 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.1 N#CC1=CN=C(O)C=C1 W9711 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.1 NC1=CC=C(CO)C=N1 U962 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [0,0,0,0,0,0|4,0,0]=4 47 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [0,0,0,0,0,0|2,0,0]=2 49 B9R1.1 NCC1=NC=C(Br)C=N1 Z4014 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.1 NCC1=NC=C(Cl)C=N1 8838AH [0,0,0,0,0,0|4,0,0]=4 51 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.1 NNC1=CN=C(Cl)C=N1 3082AB [0,0,0,0,0,0|3,0,0]=3 53 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [0,0,0,0,0,0|3,0,0]=3 54 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,0,0,0,0,0|4,0,0]=4 55 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,0,0,0,0,0|3,0,0]=3 56 B8R1.2 BrCC1=NC=CN=C1 5266AJ [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 C=CC1=NC=CN=C1 R581 [1,0,0,0,0,0|0,0,2]=3 58 B8R1.2 CC[N+]1=CC=CC=C1 E438 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 CNC1=CN=CN=C1 5460AB [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 CNC1=NN=CC=N1 4345AJ [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 COC1=CC=NN=C1 Z5489 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 ClCC1=CN=CC=N1 0741AB [1,0,0,0,0,0|1,0,0]=2 63 B8R1.2 ClCC1=NN=CC=C1 2587AB [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 NCC1=CC=CC=C1 7149AL [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 NCC1=CC=NC=N1 Y7101 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 NCC1=CC=NN=C1 X9904 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 NCC1=CN=NC=C1 0175AP [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 NCC1=NC=NC=C1 9281AB [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 NCC1=NN=CC=C1 5795AC [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 O=CC1=NC=CN=C1 X7048 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 OCC1=CC=NC=N1 W5525 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 OCC1=NC=CN=C1 W7769 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 OCC1=NN=CC=C1 W5830 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.3 CC1=CN=C(Br)C=N1 V9897 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.3 CC1=CN=C(C)N=C1 1431AB [1,0,0,0,0,0|2,0,0]=3 78 B8R1.3 CC1=CNC(=S)N=C1 Z2992 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.3 CC1=NN=C(C)C=C1 X3917 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.3 NC1=CN=C(N)C=C1 X9372 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.3 NC1=NC=C(O)C=C1 V8126 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.3 NC1=NC=C(O)C=C1 X4178 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [0,1,0,0,0,0|3,0,0]=4 84 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 CC1=NC=C(CC#N)C=C1 7400AB [0,1,0,0,0,0|1,0,1]=3 86 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [0,1,0,0,0,0|2,0,0]=3 87 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [0,1,0,0,0,0|3,0,0]=4 88 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [0,1,0,0,0,0|3,0,0]=4 90 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [0,1,0,0,0,0|3,0,0]=4 91 B10R1.1 CCNC1=NC=C(Br)C=C1 W8816 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CCNC1=NC=C(Br)C=N1 V5881 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.1 CCOC1=CN=C(Cl)C=C1 Z5197 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 CCOC1=CN=C(Cl)N=C1 2711AC [0,1,0,0,0,0|3,0,0]=4 95 B10R1.1 CCOC1=CN=C(N)C=C1 W9273 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,1,0,0,0,0|2,0,0]=3 97 B10R1.1 CNCC1=CC=C(Cl)N=C1 9680AL [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [0,1,0,0,0,0|3,0,0]=4 99 B10R1.1 CNCC1=CN=C(C)N=C1 Z4024 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,1,0,0,0,0|3,0,0]=4 101 B10R1.1 N#CCC1=CN=C(Br)C=C1 7149AA [0,1,0,0,0,0|2,0,1]=4 102 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [0,1,0,0,0,0|2,0,0]=3 103 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [0,1,0,0,0,0|3,0,0]=4 104 B10R1.3 C#CC1=CC=C(OC)N=C1 0197AC [0,1,0,0,0,0|1,0,2]=4 105 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [0,1,0,0,0,0|2,0,0]=3 106 B10R1.3 CCC1=CC=C(NN)C=C1 8775AH [0,1,0,0,0,0|3,0,0]=4 107 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [0,1,0,0,0,0|1,0,0]=2 108 B10R1.3 CCC1=NC=C(C=O)C=N1 S530 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [0,1,0,0,0,0|2,0,1]=4 110 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [0,1,0,0,0,0|2,0,0]=3 112 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [0,1,0,0,0,0|2,0,0]=3 114 B10R1.3 COC1=NC=C(CN)C=N1 6170AC [0,1,0,0,0,0|3,0,0]=4 115 B10R1.3 CSC1=CC=C(CCl)C=C1 I304 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.3 N#CC1=CC=C(CN)C=N1 5786AH [0,1,0,0,0,0|2,0,1]=4 118 B10R1.3 N#CC1=CC=C(CN)C=N1 9499AA [0,1,0,0,0,0|2,0,1]=4 119 B10R1.3 N#CC1=CN=C(CBr)C=C1 Z4225 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.3 N#CC1=CN=C(CCl)C=C1 2881AC [0,1,0,0,0,0|2,0,1]=4 121 B10R1.3 N#CC1=CN=C(CO)C=C1 3483AB [0,1,0,0,0,0|2,0,1]=4 122 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.13 CC(=O)C1=CN=C(C)N=C1 4912AJ [0,1,0,0,0,0|2,0,1]=4 124 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,0,0|2,0,1]=4 125 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,1,0,0,0,0|0,0,1]=2 126 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [0,1,0,0,0,0|2,0,0]=3 127 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 W7245 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [0,1,0,0,0,0|2,0,0]=3 132 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 CC(O)C1=NC=C(F)C=N1 W9323 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [0,1,0,0,0,0|1,0,0]=2 136 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 CC1=CN=C(B(O)O)C=C1 X0752 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 CC1=CN=C(B([O-])O)C=C1 X1550 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.13 CC1=CN=C(C(=N)N)C=N1 1246AC [0,1,0,0,0,0|1,0,1]=3 143 B10R1.13 CC1=CN=C(C(=N)N)C=N1 2786AA [0,1,0,0,0,0|1,0,1]=3 144 B10R1.13 CC1=NC=C(B(O)O)C=C1 X0926 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.13 CC1=NC=C(B(O)O)C=C1 Z7105 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [0,1,0,0,0,0|3,0,0]=4 149 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 8632AE [0,1,0,0,0,0|3,0,0]=4 153 B10R1.13 NC(=O)C1=CN=C(N)C=N1 4750AC [0,1,0,0,0,0|2,0,1]=4 154 B10R1.13 NC1=CC=C(C(F)F)N=C1 5273AC [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 X9187 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.25 CC1=CC(Br)=CN=C1CN Z0423 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.25 CC1=CC(C)=C(CCl)C=C1 0187AF [0,1,0,0,0,0|3,0,0]=4 158 B10R1.25 CC1=CC(C)=C(CO)C=C1 7829AJ [0,1,0,0,0,0|3,0,0]=4 159 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [0,1,0,0,0,0|2,0,0]=3 160 B10R1.25 CC1=CC=C(C#N)C(Br)=N1 7794AA [0,1,0,0,0,0|2,0,1]=4 161 B10R1.25 CC1=CC=C(CO)C(=O)N1 4788AB [0,1,0,0,0,0|2,0,1]=4 162 B10R1.25 CC1=CN=C(C#N)C(N)=C1 X8479 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.25 CC1=NC(Cl)=C(C#N)N=C1 9508AA [0,1,0,0,0,0|1,0,1]=3 165 B10R1.25 CC1=NC=C(CN)C(C)=N1 4205AB [0,1,0,0,0,0|3,0,0]=4 166 B10R1.25 CCC1=C(N)C=C(C)N=C1 7618AB [0,1,0,0,0,0|1,0,0]=2 167 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [0,1,0,0,0,0|3,0,0]=4 168 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.25 CCC1=CN=C(C)C=C1Br 6901AC [0,1,0,0,0,0|1,0,0]=2 171 B10R1.25 CNC1=C(C)C=C(C)C=C1 3570AD [0,1,0,0,0,0|3,0,0]=4 172 B10R1.25 CNC1=C(Cl)C=C(N)C=N1 2678AD [0,1,0,0,0,0|3,0,0]=4 173 B10R1.25 CNC1=NC=C(Br)C=C1N V8817 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.25 COC1=C(Br)N=C(N)C=C1 Y4109 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.25 COC1=C(C)N=C(C)N=C1 6536AA [0,1,0,0,0,0|3,0,0]=4 176 B10R1.25 COC1=C(Cl)C=C(Br)N=C1 4837AA [0,1,0,0,0,0|3,0,0]=4 177 B10R1.25 COC1=C(F)N=C(Br)C=C1 Z0881 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.25 COC1=CC=C(Cl)N=C1Cl Y3831 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.25 COC1=CC=C(F)N=C1C Y3903 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.25 COC1=CC=C(N)N=C1Cl 4511AC [0,1,0,0,0,0|3,0,0]=4 181 B10R1.25 COC1=CN=C(Br)C=C1O 6191AA [0,1,0,0,0,0|3,0,0]=4 182 B10R1.25 COC1=CN=C(Cl)C=C1Br Z6486 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.25 COC1=NC=C(Br)C=C1O 3121AJ [0,1,0,0,0,0|3,0,0]=4 184 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.25 COC1=NC=C(Cl)C=C1Cl 6237AA [0,1,0,0,0,0|3,0,0]=4 187 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [0,1,0,0,0,0|3,0,0]=4 188 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.25 CSC1=NC=C(Br)C=C1Br Z0015 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.25 N#CC1=NC=C(Cl)N=C1N Y9426 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.25 NC1=C(CO)C=NC(Cl)=C1 3013AC [0,1,0,0,0,0|3,0,0]=4 193 B10R1.25 NC1=NC(Cl)=CN=C1C=O 4744AC [0,1,0,0,0,0|2,0,1]=4 194 B10R1.25 NCC1=NC=C(Cl)C=C1Br V3316 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.25 NCC1=NC=C(F)C=C1F 1234AJ [0,1,0,0,0,0|3,0,0]=4 196 B10R1.25 NCC1=NC=C(F)C=C1F Y4056 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 2625AB [0,1,0,0,0,0|3,0,0]=4 198 B10R1.25 OCC1=CC=C(Br)N=C1Cl 4356AA [0,1,0,0,0,0|3,0,0]=4 199 B10R1.25 OCC1=NC=C(Br)C=C1Br 4357AA [0,1,0,0,0,0|3,0,0]=4 200 B10R1.176 CC1=C(Br)C=C(CO)N=C1 8751AH [0,1,0,0,0,0|2,0,0]=3 201 B10R1.176 CC1=C(Br)C=CC(CO)=N1 Z0160 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.176 CC1=C(F)C=C(CBr)C=C1 7166AA [0,1,0,0,0,0|3,0,0]=4 203 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [0,1,0,0,0,0|3,0,0]=4 204 B10R1.176 CC1=CC(C#N)=CN=C1C 3057AJ [0,1,0,0,0,0|2,0,1]=4 205 B10R1.176 CC1=CC=C(CBr)C=C1C W9680 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [0,1,0,0,0,0|2,0,0]=3 207 B10R1.176 CCC1=CC(F)=C(N)C=C1 3498AA [0,1,0,0,0,0|3,0,0]=4 208 B10R1.176 CCC1=CC(N)=C(F)C=C1 7951AA [0,1,0,0,0,0|3,0,0]=4 209 B10R1.176 CCC1=CC(N)=C(N)C=C1 2716AA [0,1,0,0,0,0|3,0,0]=4 210 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [0,1,0,0,0,0|3,0,0]=4 211 B10R1.176 CCC1=CN=C(C)C(Br)=C1 5301AH [0,1,0,0,0,0|1,0,0]=2 212 B10R1.176 CNC1=CC=C(C)C(Br)=C1 2220AJ [0,1,0,0,0,0|3,0,0]=4 213 B10R1.176 CNC1=NC=C(Br)C(C)=C1 V3524 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.176 COC1=CC(Br)=C(F)C=N1 4132AC [0,1,0,0,0,0|3,0,0]=4 215 B10R1.176 COC1=CC=C(Cl)C(C)=N1 Z8658 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.176 COC1=CN=C(Br)C(N)=C1 X8710 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.176 COC1=CN=C(C)C(Br)=C1 X3672 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.176 COC1=CN=C(Cl)C(Br)=C1 Z6642 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.176 COC1=CN=C(Cl)C(N)=C1 Y3226 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.176 COC1=NC(C)=C(F)C=C1 N171 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.176 COC1=NC=C(Cl)C(I)=C1 9719AL [0,1,0,0,0,0|3,0,0]=4 222 B10R1.176 COC1=NC=C(Cl)C(O)=C1 Y3794 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.176 COC1=NC=C(F)C(N)=C1 8645AB [0,1,0,0,0,0|3,0,0]=4 224 B10R1.176 CSC1=NC(C)=C(Br)C=C1 Z0023 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.176 CSC1=NC=C(C)C(=O)N1 0586AB [0,1,0,0,0,0|3,0,0]=4 226 B10R1.176 OCC1=CC=C(O)C(Cl)=N1 0668AB [0,1,0,0,0,0|3,0,0]=4 227 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 Y7094 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.1 BrCC1=CC(Br)=NO1 4667AC [0,0,0,0,1,0|3,0,0]=4 229 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,0,0,0,1,0|3,0,0]=4 230 B8R1.1 BrCC1=CSC(Br)=N1 9469AA [0,0,0,0,1,0|3,0,0]=4 231 B8R1.1 C#CC1=CN(C)N=C1 Y6211 [0,0,0,0,1,0|1,0,2]=4 232 B8R1.1 CC1=CC(C#N)=CS1 5746AB [0,0,0,0,1,0|2,0,1]=4 233 B8R1.1 CC1=CC(C#N)=NO1 V0794 [0,0,0,0,1,0|2,0,1]=4 234 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,0,0,0,1,0|3,0,0]=4 235 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,0,0,0,1,0|3,0,0]=4 236 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,0,0,0,1,0|3,0,0]=4 237 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,0,0,0,1,0|3,0,0]=4 238 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,0,0,0,1,0|2,0,0]=3 239 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,0,0,0,1,0|2,0,0]=3 240 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,0,0,0,1,0|1,0,1]=3 241 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,0,0,0,1,0|1,0,1]=3 242 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,0,0,0,1,0|1,0,1]=3 243 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,0,0,0,1,0|2,0,1]=4 244 B8R1.1 CC1=CSC(C#N)=N1 0220AA [0,0,0,0,1,0|2,0,1]=4 245 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,0,0,0,1,0|2,0,0]=3 246 B8R1.1 CC1=CSC(NN)=N1 7074AA [0,0,0,0,1,0|3,0,0]=4 247 B8R1.1 CC1=CSC(NN)=N1 8798AH [0,0,0,0,1,0|3,0,0]=4 248 B8R1.1 CC1=NC(CBr)=NO1 4500AF [0,0,0,0,1,0|2,0,0]=3 249 B8R1.1 CC1=NC(CCl)=CS1 Y8976 [0,0,0,0,1,0|2,0,0]=3 250 B8R1.1 CC1=NC(CN)=NN1 3635AD [0,0,0,0,1,0|2,0,0]=3 251 B8R1.1 CC1=NC=C(C=O)O1 4199AC [0,0,0,0,1,0|2,0,1]=4 252 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,0,0,0,1,0|2,0,0]=3 253 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,0,0,0,1,0|2,0,0]=3 254 B8R1.1 CC1=NN=C(CCl)S1 1703AC [0,0,0,0,1,0|3,0,0]=4 255 B8R1.1 CC1=NN=C(CN)O1 6665AE [0,0,0,0,1,0|3,0,0]=4 256 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,0,0,0,1,0|2,0,1]=4 257 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,0,0,0,1,0|2,0,0]=3 258 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,0,0,0,1,0|2,0,0]=3 259 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,0,0,0,1,0|2,0,0]=3 260 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,0,0,0,1,0|2,0,0]=3 261 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,0,0,0,1,0|2,0,0]=3 262 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,0,0,0,1,0|2,0,0]=3 263 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,0,0,0,1,0|2,0,0]=3 264 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,0,0,0,1,0|2,0,0]=3 265 B8R1.1 CCC1=NC(=S)NN1 8795AE [0,0,0,0,1,0|2,0,1]=4 266 B8R1.1 CCC1=NC(Br)=NN1 4964AD [0,0,0,0,1,0|2,0,0]=3 267 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,0,0,0,1,0|2,0,0]=3 268 B8R1.1 CCC1=NN=C(Br)S1 5943AE [0,0,0,0,1,0|3,0,0]=4 269 B8R1.1 CCC1=NN=C(Cl)S1 8655AE [0,0,0,0,1,0|3,0,0]=4 270 B8R1.1 CCC1=NN=C(N)N1 V4525 [0,0,0,0,1,0|2,0,1]=4 271 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,0,0,0,1,0|2,0,0]=3 272 B8R1.1 CCC1CSC(C)=N1 5718AL [0,0,0,0,1,0|1,0,2]=4 273 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,0,0,0,1,0|3,0,0]=4 274 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,0,0,0,1,0|3,0,0]=4 275 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,0,0,0,1,0|3,0,0]=4 276 B8R1.1 CCN1C=NC(Br)=C1 1287AF [0,0,0,0,1,0|2,0,0]=3 277 B8R1.1 CCN1C=NC(N)=N1 3203AE [0,0,0,0,1,0|2,0,0]=3 278 B8R1.1 CN1C=C(CCl)C=N1 8978AE [0,0,0,0,1,0|2,0,0]=3 279 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,0,0,0,1,0|3,0,0]=4 280 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,0,0,0,1,0|3,0,0]=4 281 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,0,0,0,1,0|3,0,0]=4 282 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,0,0,0,1,0|2,0,0]=3 283 B8R1.1 CN1C=NC(CN)=C1 W6486 [0,0,0,0,1,0|2,0,0]=3 284 B8R1.1 CN1C=NC(CO)=C1 6785AC [0,0,0,0,1,0|2,0,0]=3 285 B8R1.1 CNC1=NOC(C)=C1 4341AJ [0,0,0,0,1,0|2,0,0]=3 286 B8R1.1 COC1=CC(N)=NN1 2004AA [0,0,0,0,1,0|3,0,0]=4 287 B8R1.1 COC1=CC(N)=NN1 5689AB [0,0,0,0,1,0|3,0,0]=4 288 B8R1.1 COC1=CC(N)=NO1 R093 [0,0,0,0,1,0|3,0,0]=4 289 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,0,0,0,1,0|3,0,0]=4 290 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,0,0,0,1,0|2,0,0]=3 291 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,0,0,0,1,0|2,0,0]=3 292 B8R1.1 CSC1=NNC(Cl)=N1 4602AE [0,0,0,0,1,0|3,0,0]=4 293 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,0,0,0,1,0|3,0,0]=4 294 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [0,0,0,0,1,0|3,0,0]=4 295 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,0,0,0,1,0|3,0,0]=4 296 B8R1.1 ClCC1=NSC(Cl)=N1 9091AE [0,0,0,0,1,0|3,0,0]=4 297 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,0,0,0,1,0|3,0,0]=4 298 B8R1.1 NC1=NC(CO)=NN1 Z3479 [0,0,0,0,1,0|3,0,0]=4 299 B8R1.1 NCC1=CC(Br)=NO1 W9337 [0,0,0,0,1,0|3,0,0]=4 300 B8R1.1 NCC1=NC=C(Br)S1 3893AJ [0,0,0,0,1,0|3,0,0]=4 301 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,0,0,0,1,0|3,0,0]=4 302 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,0,0,0,1,0|3,0,0]=4 303 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,0,0,0,1,0|3,0,0]=4 304 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,0,0,0,1,0|3,0,0]=4 305 B7R1.3 CC1=CCC=CC1 7751AF [2,0,0,0,0,0|2,0,0]=4 306 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [1,1,0,0,0,0|2,0,0]=4 307 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [1,1,0,0,0,0|2,0,0]=4 309 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [1,1,0,0,0,0|1,0,1]=4 311 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [1,1,0,0,0,0|1,0,0]=3 312 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [1,1,0,0,0,0|2,0,0]=4 314 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [1,1,0,0,0,0|1,0,0]=3 315 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [1,1,0,0,0,0|2,0,0]=4 316 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [1,1,0,0,0,0|1,0,0]=3 317 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [1,1,0,0,0,0|2,0,0]=4 318 B9R1.2 COC1=CC(C)=CN=C1 2251AC [1,1,0,0,0,0|2,0,0]=4 319 B9R1.2 COC1=CN=CC(I)=C1 1202AF [1,1,0,0,0,0|2,0,0]=4 320 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [1,1,0,0,0,0|2,0,0]=4 321 B9R1.2 COC1=NC(C)=CN=C1 2865AB [1,1,0,0,0,0|1,0,0]=3 322 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [1,1,0,0,0,0|1,0,0]=3 323 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [1,1,0,0,0,0|2,0,0]=4 325 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [1,1,0,0,0,0|2,0,0]=4 326 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [1,1,0,0,0,0|2,0,0]=4 329 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [1,1,0,0,0,0|2,0,0]=4 331 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [1,1,0,0,0,0|2,0,0]=4 332 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [1,1,0,0,0,0|2,0,0]=4 334 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [1,1,0,0,0,0|2,0,0]=4 336 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [1,1,0,0,0,0|1,0,1]=4 338 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [1,1,0,0,0,0|2,0,0]=4 340 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [1,1,0,0,0,0|1,0,0]=3 341 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [1,1,0,0,0,0|2,0,0]=4 342 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [1,1,0,0,0,0|1,0,0]=3 344 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [1,1,0,0,0,0|2,0,0]=4 345 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,1,0,0,0,0|2,0,0]=4 346 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [1,1,0,0,0,0|1,0,0]=3 347 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,1,0,0,0,0|2,0,0]=4 349 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,1,0,0,0,0|1,0,0]=3 350 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,1,0,0,0,0|1,0,0]=3 351 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,1,0,0,0,0|1,0,0]=3 352 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,1,0,0,0,0|1,0,0]=3 354 B9R1.8 CCNC1=NC=CN=C1 Z2415 [1,1,0,0,0,0|0,0,0]=2 355 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,1,0,0,0,0|2,0,0]=4 356 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,1,0,0,0,0|1,0,0]=3 357 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,1,0,0,0,0|1,0,0]=3 358 B9R1.8 CNCC1=CC=NC=N1 6023AD [1,1,0,0,0,0|2,0,0]=4 359 B9R1.8 CNCC1=NC=CC=N1 X8879 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.8 CNCC1=NC=CN=C1 X9439 [1,1,0,0,0,0|0,0,0]=2 361 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,1,0,0,0,0|2,0,0]=4 363 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,1,0,0,0,0|0,0,0]=2 364 B9R1.8 NCCC1=NC=CC=N1 X3774 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,1,0,0,0,0|0,0,0]=2 366 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,1,0,0,0,0|2,0,0]=4 367 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [1,1,0,0,0,0|2,0,0]=4 371 B9R1.15 CC1=CC=CN=C1CBr Y9115 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.15 CC1=CC=CN=C1CO 0931AC [1,1,0,0,0,0|2,0,0]=4 373 B9R1.15 CC1=NC=CC=C1CCl 8680AB [1,1,0,0,0,0|2,0,0]=4 374 B9R1.15 CC1=NC=CC=C1CN 8679AB [1,1,0,0,0,0|2,0,0]=4 375 B9R1.15 CC1=NC=CN=C1CCl 2672AC [1,1,0,0,0,0|1,0,0]=3 376 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [1,1,0,0,0,0|1,0,0]=3 377 B9R1.15 CCC1=CC=CC=C1C Z4941 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [1,1,0,0,0,0|1,0,0]=3 379 B9R1.15 CCC1=CC=CN=C1N 5897AB [1,1,0,0,0,0|1,0,0]=3 380 B9R1.15 CCC1=CC=CNC1=O 9540AB [1,1,0,0,0,0|1,0,1]=4 381 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [1,1,0,0,0,0|1,0,1]=4 382 B9R1.15 CNC1=CC=CN=C1Cl N415 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.15 CNC1=CC=CN=C1N 8234AB [1,1,0,0,0,0|2,0,0]=4 384 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.15 COC1=NC=CC=C1F Z7565 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.15 COC1=NC=CN=C1Br Z3980 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.15 CSC1=NC=CC=C1Br V6364 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [1,1,0,0,0,0|1,0,0]=3 391 B9R1.15 ClCC1=NC=CC=C1Br V3162 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [1,1,0,0,0,0|2,0,0]=4 394 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [1,1,0,0,0,0|2,0,0]=4 395 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [1,1,0,0,0,0|2,0,0]=4 397 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [1,1,0,0,0,0|2,0,0]=4 398 B9R1.15 OCC1=C(Br)C=CN=C1 W4176 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [1,1,0,0,0,0|2,0,0]=4 400 B9R1.15 OCC1=NC=CC=C1Br W6721 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.69 CC1=C(Br)N=C(Cl)C=C1 3646AC [1,1,0,0,0,0|2,0,0]=4 402 B9R1.69 CC1=C(Br)N=CC(Cl)=N1 4953AA [1,1,0,0,0,0|2,0,0]=4 403 B9R1.69 CC1=C(C)C=C(N)N=C1 8565AB [1,1,0,0,0,0|2,0,0]=4 404 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [1,1,0,0,0,0|2,0,0]=4 405 B9R1.69 CC1=CC(Br)=C(C)N=C1 5296AH [1,1,0,0,0,0|1,0,0]=3 406 B9R1.69 CC1=CC(C)=NC=C1Br W5018 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [1,1,0,0,0,0|2,0,0]=4 408 B9R1.69 CC1=CC(I)=C(Br)N=C1 0052AC [1,1,0,0,0,0|2,0,0]=4 409 B9R1.69 CC1=CC(O)=C(N)N=C1 6871AD [1,1,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [1,1,0,0,0,0|2,0,0]=4 411 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [1,1,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [1,1,0,0,0,0|2,0,0]=4 413 B9R1.69 CC1=CC=C(N)C(O)=N1 Z8999 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [1,1,0,0,0,0|2,0,0]=4 415 B9R1.69 CC1=CC=C(O)C(Cl)=N1 V5467 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 CC1=CC=C(O)C(F)=N1 N386 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.69 CC1=CC=C(O)C(N)=N1 W4287 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.69 CC1=CN=C(Br)C=C1Cl 0797AA [1,1,0,0,0,0|2,0,0]=4 419 B9R1.69 CC1=CN=C(Br)C=C1N 2363AC [1,1,0,0,0,0|2,0,0]=4 420 B9R1.69 CC1=CN=C(C)C(N)=N1 X9791 [1,1,0,0,0,0|0,0,0]=2 421 B9R1.69 CC1=CN=C(C)C=C1Br Z4278 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.69 CC1=CN=C(C)C=C1Cl 1275AB [1,1,0,0,0,0|1,0,0]=3 423 B9R1.69 CC1=CN=C(Cl)C=C1Br W8907 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.69 CC1=CN=C(Cl)C=C1F 4342AA [1,1,0,0,0,0|2,0,0]=4 425 B9R1.69 CC1=CN=C(N)C=C1Cl 0795AA [1,1,0,0,0,0|2,0,0]=4 426 B9R1.69 CC1=CN=C(O)C(C)=N1 W7279 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.69 CC1=NC(Br)=CN=C1Br 9504AL [1,1,0,0,0,0|2,0,0]=4 428 B9R1.69 CC1=NC(Cl)=C(C)C=N1 1761AC [1,1,0,0,0,0|2,0,0]=4 429 B9R1.69 CC1=NC=C(Br)N=C1C 2066AA [1,1,0,0,0,0|1,0,0]=3 430 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.69 CC1=NC=C(F)C(Br)=C1 Z3985 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.69 CC1=NC=C(F)C(Cl)=C1 Y7793 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.69 CC1=NC=C(F)C(N)=C1 6084AJ [1,1,0,0,0,0|2,0,0]=4 435 B9R1.69 NC1=NC(Cl)=CN=C1Cl 7076AA [1,1,0,0,0,0|2,0,0]=4 436 B9R1.69 NC1=NC=C(Br)N=C1N W9205 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,1,0,0,1,0|2,0,0]=4 438 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,1,0,0,1,0|2,0,0]=4 439 B9R1.7 CC1=CN=C(CCN)N1 2107AF [0,1,0,0,1,0|0,0,1]=3 440 B9R1.7 CC1=CNC(CCN)=N1 4655AC [0,1,0,0,1,0|0,0,1]=3 441 B9R1.7 CC1=CSC(CC#N)=N1 Y8135 [0,1,0,0,1,0|1,0,1]=4 442 B9R1.7 CC1=NC(CCN)=CS1 5300AD [0,1,0,0,1,0|1,0,0]=3 443 B9R1.7 CC1=NC(CCN)=NN1 9125AB [0,1,0,0,1,0|1,0,0]=3 444 B9R1.7 CC1=NN=C(CCN)S1 0496AF [0,1,0,0,1,0|2,0,0]=4 445 B9R1.7 CC1=NNC(CCN)=N1 0684AD [0,1,0,0,1,0|1,0,0]=3 446 B9R1.7 CCCC1=NC(C)=CN1 4781AB [0,1,0,0,1,0|0,0,1]=3 447 B9R1.7 CCCC1=NNC(N)=N1 6472AE [0,1,0,0,1,0|2,0,0]=4 448 B9R1.7 CCCN1C=C(N)C=N1 0139AD [0,1,0,0,1,0|2,0,0]=4 449 B9R1.7 CCOC1=CC(N)=NO1 5802AJ [0,1,0,0,1,0|2,0,0]=4 450 B9R1.7 CCSC1=NSC(N)=N1 8208AE [0,1,0,0,1,0|2,0,0]=4 451 B9R1.7 CN1C=C(CCN)C=N1 V7806 [0,1,0,0,1,0|1,0,0]=3 452 B9R1.7 CN1C=C(CCO)C=N1 9262AA [0,1,0,0,1,0|1,0,0]=3 453 B9R1.7 CNCC1=CC(C)=NN1 2949AD [0,1,0,0,1,0|1,0,0]=3 454 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,1,0,0,1,0|2,0,0]=4 455 B9R1.7 CNCC1=CN(C)N=C1 9431AA [0,1,0,0,1,0|1,0,0]=3 456 B9R1.7 CNCC1=CSC(C)=N1 Y7538 [0,1,0,0,1,0|1,0,0]=3 457 B9R1.7 CNCC1=NN(C)C=C1 3781AC [0,1,0,0,1,0|2,0,0]=4 458 B9R1.7 CNCC1=NN=C(C)O1 2037AF [0,1,0,0,1,0|2,0,0]=4 459 B9R1.7 COCN1C=C(N)C=N1 0110AA [0,1,0,0,1,0|2,0,0]=4 460 B9R1.7 NC1=NC(CCO)=CS1 9042AA [0,1,0,0,1,0|2,0,0]=4 461 B9R1.7 NCCC1=CC(Br)=CS1 1027AJ [0,1,0,0,1,0|2,0,0]=4 462 B9R1.7 NCCC1=CC(Br)=CS1 1159AJ [0,1,0,0,1,0|2,0,0]=4 463 B9R1.7 NCCC1=CSC(N)=N1 2275AF [0,1,0,0,1,0|2,0,0]=4 464 B9R1.7 OCCC1=CC(Br)=NO1 8147AC [0,1,0,0,1,0|2,0,0]=4 465 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,1,0,0,1,0|2,0,0]=4 466 B9R1.21 CCC1=CSC(C=O)=N1 0809AB [0,1,0,0,1,0|1,0,1]=4 467 B9R1.21 CCC1=NC(CCl)=NO1 2841AC [0,1,0,0,1,0|1,0,0]=3 468 B9R1.21 CCC1=NC(CN)=NO1 0339AD [0,1,0,0,1,0|1,0,0]=3 469 B9R1.21 CCC1=NC(CN)=NO1 2124AF [0,1,0,0,1,0|1,0,0]=3 470 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [0,1,0,0,1,0|1,0,1]=4 471 B9R1.21 CCC1=NN=C(CCl)O1 2346AE [0,1,0,0,1,0|2,0,0]=4 472 B9R1.21 CCC1=NNC(C=O)=C1 5334AH [0,1,0,0,1,0|1,0,1]=4 473 B9R1.21 CCC1=NOC(C#N)=C1 1202AD [0,1,0,0,1,0|1,0,1]=4 474 B9R1.21 CCC1=NOC(CN)=C1 7203AA [0,1,0,0,1,0|1,0,0]=3 475 B9R1.21 CCC1=NOC(CN)=C1 9790AE [0,1,0,0,1,0|1,0,0]=3 476 B9R1.21 CCC1=NOC(CN)=N1 7780AC [0,1,0,0,1,0|1,0,0]=3 477 B9R1.21 CCN1C=C(CO)C=N1 5070AC [0,1,0,0,1,0|1,0,0]=3 478 B9R1.21 CCN1C=CC(CN)=N1 4395AF [0,1,0,0,1,0|2,0,0]=4 479 B9R1.21 CNC1=NC(CCl)=CS1 1810AE [0,1,0,0,1,0|2,0,0]=4 480 B9R1.22 CC1=CC(CN)=C(C)O1 Y8624 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,1,0,0,1,0|2,0,0]=4 482 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.22 CC1=NN(C)C(CN)=C1 Y5453 [0,1,0,0,1,0|2,0,0]=4 485 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,1,0,0,1,0|2,0,0]=4 486 B9R1.23 CC1=CC(CN)=NN1C Y9079 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.23 CCC1=NC(C)=C(Br)S1 V8182 [0,1,0,0,1,0|1,0,0]=3 488 B9R1.23 CNC1=NN(C)C(C)=C1 Z3296 [0,1,0,0,1,0|2,0,0]=4 489 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,1,0,0,1,0|1,0,1]=4 490 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,1,0,0,1,0|1,0,1]=4 491 B9R1.35 CC(C)C1=CC(N)=NO1 Z2690 [0,1,0,0,1,0|2,0,0]=4 492 B9R1.35 CC(C)C1=CN=C(Br)S1 Y7137 [0,1,0,0,1,0|2,0,0]=4 493 B9R1.35 CC(C)C1=CSC(Br)=N1 Y6841 [0,1,0,0,1,0|2,0,0]=4 494 B9R1.35 CC(C)C1=CSC(N)=N1 V7811 [0,1,0,0,1,0|2,0,0]=4 495 B9R1.35 CC(C)C1=NC(Br)=CN1 3239AD [0,1,0,0,1,0|1,0,1]=4 496 B9R1.35 CC(C)C1=NC(Br)=NN1 4234AD [0,1,0,0,1,0|2,0,0]=4 497 B9R1.35 CC(C)C1=NOC(N)=N1 2275AE [0,1,0,0,1,0|2,0,0]=4 498 B9R1.35 CC(C)C1=NSC(Br)=N1 3128AJ [0,1,0,0,1,0|2,0,0]=4 499 B9R1.35 CC(C)N1C=NC(Br)=C1 6885AE [0,1,0,0,1,0|2,0,0]=4 500 B9R1.35 CC1=CC=C(C(C)N)O1 7302AE [0,1,0,0,1,0|2,0,0]=4 501 B9R1.35 CC1=CNC(C(C)C)=N1 1747AJ [0,1,0,0,1,0|0,0,1]=3 502 B9R1.35 CC1=NC(C(C)N)=CS1 0056AE [0,1,0,0,1,0|1,0,0]=3 503 B9R1.35 CC1=NNC(C(C)C)=C1 3767AD [0,1,0,0,1,0|1,0,0]=3 504 B9R1.35 CC1=NOC(C(C)N)=N1 1042AD [0,1,0,0,1,0|1,0,0]=3 505 B9R1.132 CCC1=NNC(C)=C1Br 8992AE [0,1,0,0,1,0|1,0,0]=3 506 B9R1.132 CCN1N=CC(Br)=C1C 9826AC [0,1,0,0,1,0|2,0,0]=4 507 B9R1.132 CCN1N=CC(N)=C1C 0396AD [0,1,0,0,1,0|2,0,0]=4 508 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [0,2,0,0,0,0|2,0,0]=4 509 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [0,2,0,0,0,0|2,0,0]=4 510 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [0,2,0,0,0,0|2,0,0]=4 512 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.1 CCCCC1=CC=C(Cl)N=C1 6440AA [0,2,0,0,0,0|2,0,0]=4 514 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,2,0,0,0,0|1,0,0]=3 515 B11R1.1 CCCNC1=NC=C(Br)C=C1 Z6268 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.1 CCNCC1=CN=C(Cl)C=C1 S696 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.1 OCCCC1=CC=C(Br)N=C1 0074AC [0,2,0,0,0,0|2,0,0]=4 518 B11R1.1 OCCNC1=NC=C(Br)C=C1 2906AF [0,2,0,0,0,0|2,0,0]=4 519 B11R1.1 OCCOC1=NC=C(Br)C=C1 Z0377 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 3743AE [0,2,0,0,0,0|2,0,0]=4 522 B11R1.20 CC(C)OC1=NC=C(Br)N=C1 6588AC [0,2,0,0,0,0|1,0,0]=3 523 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 Z0473 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.20 CC(C)OC1=NC=C(F)C=C1 Z9507 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.20 CC(C)OC1=NC=C(I)C=C1 Z1054 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.20 CN(C)CC1=CC=C(Cl)N=C1 Y8322 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.20 CN(C)CC1=CN=C(N)C=C1 1514AJ [0,2,0,0,0,0|2,0,0]=4 529 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,2,0,0,0,0|2,0,0]=4 530 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,2,0,0,0,0|2,0,0]=4 531 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,2,0,0,0,0|2,0,0]=4 532 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [0,2,0,0,0,0|2,0,0]=4 533 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,2,0,0,0,0|2,0,0]=4 534 B11R1.81 CCOC1=C(F)C=C(N)C=N1 Z5272 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.81 CCOC1=C(I)C=C(Br)C=N1 0529AF [0,2,0,0,0,0|2,0,0]=4 536 B11R1.81 CCOC1=NC=C(Br)C=C1Br Z0903 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.81 NCCC1=NC=C(Cl)C=C1Cl 1080AJ [0,2,0,0,0,0|2,0,0]=4 538 B11R1.83 CCNC1=CC=C(C#N)C=N1 Z6380 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.83 CCOC1=NC=C(C#N)C=C1 8337AC [0,2,0,0,0,0|1,0,1]=4 540 B11R1.83 COC1=NC=C(CCN)C=C1 1228AJ [0,2,0,0,0,0|1,0,0]=3 541 B11R1.83 COCC1=CC=C(CO)C=C1 8790AH [0,2,0,0,0,0|2,0,0]=4 542 B11R1.83 NCCC1=CC=C(CO)C=C1 9331AH [0,2,0,0,0,0|2,0,0]=4 543 B11R1.83 NCCC1=CC=C(CO)C=C1 9332AH [0,2,0,0,0,0|2,0,0]=4 544 B11R1.3 CC(=O)C1=CN=C(C#N)C=N1 5435AC [0,2,0,0,0,0|0,0,2]=4 545 B11R1.3 CCC1=CC=C(C(=O)O)N=C1 2011AC [0,2,0,0,0,0|1,0,1]=4 546 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 0840AB [0,2,0,0,0,0|2,0,0]=4 547 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [0,2,0,0,0,0|1,0,1]=4 548 B11R1.279 COC1=CC=C(CO)C(C)=N1 Z0506 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.279 COC1=CC=C(OC)C(Br)=N1 Z8277 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.19 CC(C)(C)C1=CC=C(Br)N=C1 1609AJ [0,2,0,0,0,0|2,0,0]=4 551 B11R1.19 CC(C)(O)C1=NC=C(Cl)C=C1 5454AB [0,2,0,0,0,0|2,0,0]=4 552 B11R1.19 NC1=NC=C(C(F)(F)F)N=C1 Y9859 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.21 CC(=O)C1=CN=C(C)C(C)=N1 7817AB [0,2,0,0,0,0|0,0,1]=3 554 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 2930AF [0,2,0,0,0,0|2,0,0]=4 555 B11R1.21 CC1=C(C)N=C(C(N)=O)C=N1 4144AB [0,2,0,0,0,0|1,0,1]=4 556 B11R1.21 CC1=CC=C([C@H](C)N)C=C1Cl 3803AA [0,2,0,0,0,0|2,0,0]=4 557 B11R1.21 CC1=NC=C(C(=O)O)N=C1C 6284AA [0,2,0,0,0,0|1,0,1]=4 558 B11R1.166 CC(N)C1=NC=C(F)C=C1F 1436AA [0,2,0,0,0,0|2,0,0]=4 559 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 7695AC [0,2,0,0,0,0|2,0,0]=4 560 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 0411AC [0,2,0,0,0,0|1,0,1]=4 561 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br W8724 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.37 C=CC1=CC(C)=CN=C1OC 2595AD [0,2,0,0,0,0|2,0,0]=4 563 B11R1.37 CC1=NC(C#N)=C(C#N)N=C1 4860AE [0,2,0,0,0,0|1,0,1]=4 564 B11R1.37 COC1=C(C=O)C=C(C)C=N1 Z8218 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.37 COC1=C(OC)N=C(C)C=C1 0928AF [0,2,0,0,0,0|2,0,0]=4 566 B11R1.277 CCC1=C(C)N=C(C)C(C)=N1 8990AA [0,2,0,0,0,0|0,0,0]=2 567 B11R1.277 NC1=NC(Cl)=C(Cl)N=C1CO W9722 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.280 COC1=NC(C=O)=C(C)C=C1 4488AA [0,2,0,0,0,0|2,0,0]=4 569 B9R1.3 CC1=NC=CC(C)=C1O 2563AB [0,0,1,1,0,0|1,0,1]=4 570 B11R2.36 CC1=CC=C2CCNC2=C1 3598AJ [0,1,0,1,0,0|2,0,0]=4 571 B11R2.36 ClC1=CC2=C(C=N1)CCN2 1608AB [0,1,0,1,0,0|2,0,0]=4 572 B11R2.36 ClC1=CC=C2CCCC2=N1 2919AA [0,1,0,1,0,0|2,0,0]=4 573 B11R2.36 NC1=CC2=C(CCC2)N=C1 5954AD [0,1,0,1,0,0|2,0,0]=4 574 B7R1.1 BrCC1=COC=N1 1429AA [1,0,0,0,1,0|2,0,0]=4 575 B7R1.1 BrCC1=NC=CN1 1423AC [1,0,0,0,1,0|1,0,1]=4 576 B7R1.1 BrCC1=NOC=C1 2020AJ [1,0,0,0,1,0|2,0,0]=4 577 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,0,1,0|1,0,0]=3 578 B7R1.1 CCC1=CNC=N1 6226AL [1,0,0,0,1,0|0,0,1]=3 579 B7R1.1 CCC1=NNC=C1 6654AA [1,0,0,0,1,0|1,0,0]=3 580 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,1,0|2,0,0]=4 581 B7R1.1 CSC1=CNC=N1 X6327 [1,0,0,0,1,0|1,0,1]=4 582 B7R1.1 CSC1=NC=CN1 5294AJ [1,0,0,0,1,0|1,0,1]=4 583 B7R1.1 CSC1=NC=CO1 6777AD [1,0,0,0,1,0|2,0,0]=4 584 B7R1.1 ClCC1=CC=NO1 8534AB [1,0,0,0,1,0|2,0,0]=4 585 B7R1.1 ClCC1=COC=N1 0393AC [1,0,0,0,1,0|2,0,0]=4 586 B7R1.1 ClCC1=NC=CN1 1125AC [1,0,0,0,1,0|1,0,1]=4 587 B7R1.1 ClCC1=NC=CS1 1126AC [1,0,0,0,1,0|2,0,0]=4 588 B7R1.1 ClCC1=NC=CS1 W5535 [1,0,0,0,1,0|2,0,0]=4 589 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,1,0|1,0,1]=4 590 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,0,1,0|2,0,0]=4 591 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,1,0|2,0,0]=4 592 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,1,0|1,0,1]=4 593 B7R1.1 NCC1=CNC=N1 1263AC [1,0,0,0,1,0|1,0,1]=4 594 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,1,0|1,0,1]=4 595 B7R1.1 NCC1=COC=C1 Y9148 [1,0,0,0,1,0|2,0,0]=4 596 B7R1.1 NCC1=COC=N1 Y1477 [1,0,0,0,1,0|2,0,0]=4 597 B7R1.1 NCC1=CON=C1 8978AA [1,0,0,0,1,0|2,0,0]=4 598 B7R1.1 NCC1=CSC=C1 Z3907 [1,0,0,0,1,0|2,0,0]=4 599 B7R1.1 NCC1=CSC=N1 0159AD [1,0,0,0,1,0|2,0,0]=4 600 B7R1.1 NCC1=CSC=N1 8187AA [1,0,0,0,1,0|2,0,0]=4 601 B7R1.1 NCC1=NC=CO1 0960AA [1,0,0,0,1,0|2,0,0]=4 602 B7R1.1 NCC1=NC=NN1 8323AH [1,0,0,0,1,0|2,0,0]=4 603 B7R1.1 NCC1=NOC=C1 3959AJ [1,0,0,0,1,0|2,0,0]=4 604 B7R1.1 NCC1=NOC=N1 1799AE [1,0,0,0,1,0|2,0,0]=4 605 B7R1.1 OCC1=CNC=N1 W5446 [1,0,0,0,1,0|1,0,1]=4 606 B7R1.1 OCC1=CON=C1 2836AJ [1,0,0,0,1,0|2,0,0]=4 607 B7R1.1 OCC1=NNC=C1 X6393 [1,0,0,0,1,0|2,0,0]=4 608 B7R1.1 OCN1C=CN=C1 9540AF [1,0,0,0,1,0|2,0,0]=4 609 B7R1.2 CC1=CC(N)=CS1 Z4474 [1,0,0,0,1,0|2,0,0]=4 610 B7R1.2 CC1=CN(C)C=N1 9650AB [1,0,0,0,1,0|1,0,0]=3 611 B7R1.2 CC1=CN=C(N)N1 0439AC [1,0,0,0,1,0|1,0,1]=4 612 B7R1.2 CC1=CN=C(N)N1 3105AA [1,0,0,0,1,0|1,0,1]=4 613 B7R1.2 CC1=CN=C(N)O1 X6056 [1,0,0,0,1,0|2,0,0]=4 614 B7R1.2 CC1=COC(Br)=N1 X8790 [1,0,0,0,1,0|2,0,0]=4 615 B7R1.2 CC1=COC(C)=N1 5323AL [1,0,0,0,1,0|1,0,0]=3 616 B7R1.2 CC1=CSC(Br)=C1 7530AB [1,0,0,0,1,0|2,0,0]=4 617 B7R1.2 CC1=CSC(N)=C1 5740AC [1,0,0,0,1,0|2,0,0]=4 618 B7R1.2 CC1=NC(Br)=CN1 W3545 [1,0,0,0,1,0|1,0,1]=4 619 B7R1.2 CC1=NC(Br)=NN1 8783AD [1,0,0,0,1,0|2,0,0]=4 620 B7R1.2 CC1=NC(Br)=NO1 2584AD [1,0,0,0,1,0|2,0,0]=4 621 B7R1.2 CC1=NC(Cl)=NN1 4748AD [1,0,0,0,1,0|2,0,0]=4 622 B7R1.2 CC1=NC(N)=CS1 7776AC [1,0,0,0,1,0|2,0,0]=4 623 B7R1.2 CC1=NC=C(N)S1 Z5289 [1,0,0,0,1,0|2,0,0]=4 624 B7R1.2 CC1=NN(C)N=C1 8968AB [1,0,0,0,1,0|1,0,0]=3 625 B7R1.2 CC1=NN=C(C)O1 Z4081 [1,0,0,0,1,0|2,0,0]=4 626 B7R1.2 CC1=NNC(I)=C1 Y2583 [1,0,0,0,1,0|2,0,0]=4 627 B7R1.2 CC1=NSC(Br)=C1 0520AB [1,0,0,0,1,0|2,0,0]=4 628 B7R1.2 CC1=NSC(I)=C1 6767AD [1,0,0,0,1,0|2,0,0]=4 629 B7R1.2 CC1=NSC(N)=C1 1797AB [1,0,0,0,1,0|2,0,0]=4 630 B7R1.2 CC1=NSC(N)=N1 3695AA [1,0,0,0,1,0|2,0,0]=4 631 B7R1.2 CN1C=NC(Cl)=N1 5746AE [1,0,0,0,1,0|2,0,0]=4 632 B7R1.2 CN1C=NC(I)=C1 V8393 [1,0,0,0,1,0|2,0,0]=4