0 B9R1.2 C=CC1=CC=CC(Cl)=N1 6792AA [0,0,0,0,0,0|2,0,2]=4 1 B9R1.2 C=CC1=NC(Br)=CC=C1 5762AC [0,0,0,0,0,0|2,0,2]=4 2 B9R1.2 C=CC1=NC(F)=CC=C1 3676AC [0,0,0,0,0,0|2,0,2]=4 3 B9R1.2 CC1=NC=CC(CCl)=N1 4940AC [0,0,0,0,0,0|3,0,0]=3 4 B9R1.2 CCC1=CC(Cl)=CC=C1 9311AB [0,0,0,0,0,0|3,0,0]=3 5 B9R1.2 CCC1=CC=NC(Cl)=C1 5411AB [0,0,0,0,0,0|4,0,0]=4 6 B9R1.2 ClC1=NC=CC(CBr)=N1 Z3722 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 NC1=CC=NC(CCl)=N1 2442AC [0,0,0,0,0,0|4,0,0]=4 9 B9R1.2 NCC1=CC(O)=CN=C1 Y1979 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.2 NCC1=NC(Cl)=CN=C1 1377AA [0,0,0,0,0,0|2,0,0]=2 11 B9R1.2 NCC1=NC=CC(Cl)=N1 8769AH [0,0,0,0,0,0|4,0,0]=4 12 B9R1.2 OCC1=NC(O)=CC=C1 1325AE [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 BrCC1=CN=CN=C1 1987AB [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 BrCC1=NC=NC=C1 6571AA [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 BrCC1=NC=NC=C1 7791AB [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 BrCC1=NN=CC=C1 X0198 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 COC1=NC=CN=N1 2841AB [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 ClCC1=CC=CC=N1 V2306 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.2 ClCC1=NC=CN=C1 Y8973 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.2 ClCC1=NC=NC=C1 7792AB [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 ClCC1=NN=CC=C1 5659AB [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 NCC1=CN=CN=C1 W4845 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 NCC1=NC=CC=N1 4855AH [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 NCC1=NC=CN=C1 9838AJ [1,0,0,0,0,0|1,0,0]=2 25 B8R1.2 NNC1=CC=CN=C1 Z1664 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 OCC1=NC=CC=C1 D931 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [1,0,0,0,0,0|2,0,1]=4 28 B8R1.4 FC1=CN=CC(F)=N1 0735AE [1,0,0,0,0,0|2,0,0]=3 29 B10R1.2 CC1=C(O)C(CO)=CC=C1 9889AL [0,1,0,0,0,0|3,0,0]=4 30 B10R1.2 CCC1=CC=CC(C)=C1I 5834AD [0,1,0,0,0,0|2,0,0]=3 31 B10R1.2 COC1=CN=CC(N)=C1O 8741AC [0,1,0,0,0,0|3,0,0]=4 32 B10R1.8 CC1=CC(C)=NC(CN)=N1 6168AB [0,1,0,0,0,0|3,0,0]=4 33 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 6878AC [0,1,0,0,0,0|2,0,1]=4 34 B10R1.8 CC1=CC(Cl)=CC(CO)=N1 6880AC [0,1,0,0,0,0|2,0,0]=3 35 B10R1.8 CC1=CC(O)=NC(CCl)=N1 1665AB [0,1,0,0,0,0|3,0,0]=4 36 B10R1.8 CC1=NC(CO)=CC(N)=N1 3994AD [0,1,0,0,0,0|3,0,0]=4 37 B10R1.8 CC1=NC(CO)=NC(N)=C1 3378AD [0,1,0,0,0,0|3,0,0]=4 38 B10R1.8 COC1=CC(I)=CC(Cl)=N1 4360AA [0,1,0,0,0,0|3,0,0]=4 39 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [0,1,0,0,0,0|2,0,1]=4 40 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [0,1,0,0,0,0|2,0,1]=4 41 B10R1.10 CC1=CC=CC(\C=N\O)=N1 7872AF [0,1,0,0,0,0|2,0,1]=4 42 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [0,1,0,0,0,0|3,0,0]=4 44 B10R1.10 CCOC1=NC(Cl)=CN=C1 6461AA [0,1,0,0,0,0|1,0,0]=2 45 B10R1.10 CCOC1=NC=CC(Cl)=N1 Z2553 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [0,1,0,0,0,0|2,0,0]=3 47 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [0,1,0,0,0,0|2,0,0]=3 48 B10R1.10 O=CCC1=NC(Br)=CC=C1 3706AA [0,1,0,0,0,0|2,0,1]=4 49 B10R1.30 CC1=CC(C=O)=C(Br)N=C1 4346AA [0,1,0,0,0,0|2,0,1]=4 50 B10R1.30 CC1=CN=C(F)C(CO)=C1 Y3891 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.30 CCC1=C(C)C=CC(C)=C1 5606AL [0,1,0,0,0,0|2,0,0]=3 52 B10R1.30 CCC1=C(N)C=CC(Cl)=N1 5191AC [0,1,0,0,0,0|2,0,0]=3 53 B10R1.30 CCC1=CC(O)=NN=C1Cl Y3281 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.30 CNC1=NC(Br)=CN=C1N Y6292 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.30 CNC1=NC(C)=CC=C1N W3389 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.30 COC1=C(Cl)N=CC(N)=C1 W8292 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.30 COC1=CC(C)=CN=C1F Y3762 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.30 COC1=CC(I)=CN=C1Br 8992AC [0,1,0,0,0,0|3,0,0]=4 59 B10R1.30 COC1=CC(I)=CN=C1I 9143AC [0,1,0,0,0,0|3,0,0]=4 60 B10R1.30 COC1=CC(O)=CN=C1F Y3888 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.30 ClCC1=CC(Br)=CN=C1Cl 7443AC [0,1,0,0,0,0|3,0,0]=4 62 B10R1.30 N#CC1=C(Br)N=CC(Br)=N1 6276AA [0,1,0,0,0,0|2,0,1]=4 63 B10R1.30 NCC1=NC(Cl)=CN=C1N 2834AA [0,1,0,0,0,0|2,0,0]=3 64 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl 6377AA [0,1,0,0,0,0|2,0,1]=4 65 B10R1.30 OCC1=CC(F)=CN=C1Cl 3708AC [0,1,0,0,0,0|3,0,0]=4 66 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 3407AA [0,1,0,0,0,0|1,0,1]=3 67 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.113 CC(N)C1=CC=CC(N)=C1 2191AL [0,1,0,0,0,0|3,0,0]=4 70 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 W3721 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 2975AH [0,1,0,0,0,0|3,0,0]=4 72 B10R1.113 O=C(O)C1=NC(F)=CN=C1 0752AD [0,1,0,0,0,0|2,0,1]=4 73 B10R1.172 CCC1=CC(NN)=CC=C1 8645AH [0,1,0,0,0,0|3,0,0]=4 74 B10R1.172 CCC1=CC=CC(C#N)=N1 8795AB [0,1,0,0,0,0|1,0,1]=3 75 B10R1.172 CCC1=CC=CC(SC)=C1 Z0769 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.172 COC1=CC=CC(CN)=N1 6563AC [0,1,0,0,0,0|2,0,0]=3 77 B10R1.172 COC1=CC=NC(CN)=N1 3381AA [0,1,0,0,0,0|3,0,0]=4 78 B10R1.172 COC1=CCC=C(OC)C1 0616AQ [0,1,0,0,0,0|3,0,0]=4 79 B10R1.172 COC1=CN=CC(NN)=N1 6432AC [0,1,0,0,0,0|2,0,0]=3 80 B10R1.172 ClCC1=CN=CC(CCl)=C1 W9930 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.172 OCC1=CN=CC(CO)=C1 1004AB [0,1,0,0,0,0|2,0,0]=3 82 B10R1.176 CC1=C(F)C=CC(CO)=N1 5413AA [0,1,0,0,0,0|2,0,0]=3 83 B10R1.176 CC1=CC(C=O)=CN=C1C 3055AJ [0,1,0,0,0,0|2,0,1]=4 84 B10R1.176 CC1=CC(CCl)=CC=C1Br V3412 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.176 CC1=CC(CO)=CN=C1Br Z0074 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [0,1,0,0,0,0|3,0,0]=4 87 B10R1.176 CCC1=CC=C(O)C(C)=N1 X8291 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.176 COC1=CC=C(C)C(N)=N1 Y3282 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.176 COC1=CN=C(Br)C(C)=C1 Y3971 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.176 COC1=CN=C(F)C(I)=C1 Y3900 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 2742AF [0,1,0,0,0,0|3,0,0]=4 92 B10R1.176 OCC1=CC=C(O)C(Br)=N1 5393AD [0,1,0,0,0,0|3,0,0]=4 93 B8R1.1 CC1=CC(CO)=CO1 Y6575 [0,0,0,0,1,0|3,0,0]=4 94 B8R1.1 CC1=CN=C(C#N)S1 0219AA [0,0,0,0,1,0|2,0,1]=4 95 B8R1.1 CC1=CN=C(C=O)N1 9102AC [0,0,0,0,1,0|1,0,2]=4 96 B8R1.1 CC1=COC(C=O)=N1 4751AF [0,0,0,0,1,0|2,0,1]=4 97 B8R1.1 CC1=CSC(CCl)=N1 4416AE [0,0,0,0,1,0|2,0,0]=3 98 B8R1.1 CC1=CSC(CN)=N1 V6316 [0,0,0,0,1,0|2,0,0]=3 99 B8R1.1 CC1=NC(CN)=CS1 8526AH [0,0,0,0,1,0|2,0,0]=3 100 B8R1.1 CC1=NC(CO)=CO1 Y7510 [0,0,0,0,1,0|2,0,0]=3 101 B8R1.1 CC1=NN=C(CN)O1 8854AH [0,0,0,0,1,0|3,0,0]=4 102 B8R1.1 CC1=NN=C(CN)S1 2280AC [0,0,0,0,1,0|3,0,0]=4 103 B8R1.1 CC1=NOC(CN)=N1 5162AC [0,0,0,0,1,0|2,0,0]=3 104 B8R1.1 CCC1=CSC(Br)=N1 Y4584 [0,0,0,0,1,0|2,0,0]=3 105 B8R1.1 CN1C=CC(CBr)=N1 Y5146 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.1 CN1C=NC(CCl)=C1 2153AA [0,0,0,0,1,0|3,0,0]=4 107 B8R1.1 COC1=CC=C(Br)S1 8374AB [0,0,0,0,1,0|3,0,0]=4 108 B8R1.1 CSC1=NNC(Br)=N1 4966AD [0,0,0,0,1,0|3,0,0]=4 109 B8R1.1 ClC1=NC(CBr)=CO1 Y5526 [0,0,0,0,1,0|3,0,0]=4 110 B8R1.1 ClCC1=NC=C(Br)S1 6925AB [0,0,0,0,1,0|3,0,0]=4 111 B8R1.1 NC1=NC(CO)=CO1 8478AH [0,0,0,0,1,0|3,0,0]=4 112 B8R1.1 NCC1=CC=C(Br)O1 4771AJ [0,0,0,0,1,0|3,0,0]=4 113 B8R1.1 NCC1=CSC(N)=N1 6664AD [0,0,0,0,1,0|3,0,0]=4 114 B8R1.1 NCC1=NC(Br)=CS1 8754AH [0,0,0,0,1,0|3,0,0]=4 115 B8R1.1 NCC1=NC=C(Br)S1 3892AJ [0,0,0,0,1,0|3,0,0]=4 116 B8R1.1 NCC1=NC=C(Cl)S1 8839AH [0,0,0,0,1,0|3,0,0]=4 117 B8R1.1 NCC1=NC=C(Cl)S1 8840AH [0,0,0,0,1,0|3,0,0]=4 118 B8R1.1 OCC1=COC(Br)=N1 1802AA [0,0,0,0,1,0|3,0,0]=4 119 B8R1.1 OCC1=COC(Cl)=N1 Y5525 [0,0,0,0,1,0|3,0,0]=4 120 B8R1.11 C#CC1=CN=CN1C Y9902 [0,0,0,0,1,0|1,0,2]=4 121 B8R1.11 CC1=C(CCl)C=NO1 X3761 [0,0,0,0,1,0|2,0,0]=3 122 B8R1.11 CC1=C(CN)C=NO1 3895AJ [0,0,0,0,1,0|2,0,0]=3 123 B8R1.11 CC1=C(CO)C=NO1 8859AH [0,0,0,0,1,0|2,0,0]=3 124 B8R1.11 CCC1=C(C)N=CS1 3502AB [0,0,0,0,1,0|3,0,0]=4 125 B8R1.11 CCC1=CC=NN1C 2989AE [0,0,0,0,1,0|3,0,0]=4 126 B8R1.11 CCC1=CNN=C1N Q798 [0,0,0,0,1,0|2,0,1]=4 127 B8R1.11 CN1C=NC=C1CCl 4724AC [0,0,0,0,1,0|2,0,0]=3 128 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [1,0,1,0,0,0|1,0,1]=4 129 B7R1.3 [O-]C1=CC=CN=C1 P818 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.1 CC1=CN=C(NN)C=N1 W3597 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.1 CCC1=CC=C(Cl)N=N1 2240AJ [1,1,0,0,0,0|2,0,0]=4 132 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [1,1,0,0,0,0|1,0,0]=3 133 B9R1.1 CCC1=NC=C(Br)C=N1 W8957 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.1 CCC1=NC=C(C)C=C1 9500AA [1,1,0,0,0,0|1,0,0]=3 135 B9R1.1 COC1=CNC(=O)C=N1 6210AA [1,1,0,0,0,0|1,0,1]=4 136 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,1,0,0,0,0|2,0,0]=4 137 B9R1.1 ClC1=CN=C(CBr)C=C1 9045AB [1,1,0,0,0,0|2,0,0]=4 138 B9R1.1 ClCC1=CN=C(Cl)C=N1 1322AA [1,1,0,0,0,0|1,0,0]=3 139 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.1 NCC1=CC=C(Br)N=C1 4185AA [1,1,0,0,0,0|2,0,0]=4 141 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [1,1,0,0,0,0|2,0,0]=4 142 B9R1.1 NCC1=CN=C(N)C=C1 4936AD [1,1,0,0,0,0|2,0,0]=4 143 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [1,1,0,0,0,0|1,0,0]=3 145 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,1,0,0,0,0|0,0,0]=2 146 B9R1.6 CC(N)C1=CN=NC=C1 0280AA [1,1,0,0,0,0|2,0,0]=4 147 B9R1.6 CC(N)C1=NC=CC=N1 6203AC [1,1,0,0,0,0|2,0,0]=4 148 B9R1.6 CC(O)C1=CN=CN=C1 9546AH [1,1,0,0,0,0|2,0,0]=4 149 B9R1.8 CNCC1=CC=NC=N1 4986AA [1,1,0,0,0,0|2,0,0]=4 150 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,1,0,0,0,0|1,0,0]=3 151 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,1,0,0,0,0|1,0,0]=3 152 B9R1.8 NCCC1=CN=CN=C1 3332AC [1,1,0,0,0,0|2,0,0]=4 153 B9R1.8 NCCC1=NC=CC=N1 4806AC [1,1,0,0,0,0|2,0,0]=4 154 B9R1.8 NCCC1=NC=NC=C1 1885AJ [1,1,0,0,0,0|2,0,0]=4 155 B9R1.8 NCCC1=NC=NC=C1 1886AJ [1,1,0,0,0,0|2,0,0]=4 156 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,1,0,0,0,0|2,0,0]=4 157 B9R1.8 NNCC1=NC=CN=C1 1808AL [1,1,0,0,0,0|1,0,0]=3 158 B9R1.8 NNCC1=NC=CN=C1 5211AA [1,1,0,0,0,0|1,0,0]=3 159 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,1,0,0,0,0|1,0,1]=4 160 B9R1.8 OCCC1=NC=CC=N1 1887AJ [1,1,0,0,0,0|2,0,0]=4 161 B9R1.8 OCCC1=NC=NC=C1 0497AC [1,1,0,0,0,0|2,0,0]=4 162 B9R1.15 CC1=NC=CC=C1CBr X4783 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.15 CC1=NC=CC=C1CO X2884 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.15 CC1=NC=CN=C1CO 8119AA [1,1,0,0,0,0|1,0,0]=3 165 B9R1.15 CCC1=CN=CN=C1O 3208AJ [1,1,0,0,0,0|2,0,0]=4 166 B9R1.15 CNC1=NC=CN=C1Cl 5057AE [1,1,0,0,0,0|1,0,0]=3 167 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.15 N#CC1=NC=CN=C1I Y1538 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [1,1,0,0,0,0|2,0,0]=4 170 B9R1.15 NCC1=C(N)C=CC=N1 5249AJ [1,1,0,0,0,0|2,0,0]=4 171 B9R1.15 NCC1=CC=CN=C1N 4362AD [1,1,0,0,0,0|2,0,0]=4 172 B9R1.15 NCC1=NC=CN=C1N 5683AJ [1,1,0,0,0,0|1,0,0]=3 173 B9R1.3 CC1=CN=CC(C)=C1Cl 2771AJ [1,1,0,0,0,0|1,0,0]=3 174 B9R1.3 CC1=CN=CC(C)=C1Cl 7064AA [1,1,0,0,0,0|1,0,0]=3 175 B9R1.3 CC1=CN=CC(F)=C1N W3052 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.34 CC1=CC(Cl)=CC(F)=N1 4336AA [1,1,0,0,0,0|2,0,0]=4 177 B9R1.34 CC1=CC(F)=CC(O)=N1 X2039 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.34 CC1=CC(N)=CC(N)=N1 X4345 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.69 CC1=C(Cl)N=CC(N)=N1 6250AB [1,1,0,0,0,0|1,0,0]=3 180 B9R1.69 CC1=C(I)C=CC(Br)=N1 5952AH [1,1,0,0,0,0|2,0,0]=4 181 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [1,1,0,0,0,0|1,0,0]=3 182 B9R1.69 CC1=CC(F)=CN=C1I 6753AB [1,1,0,0,0,0|2,0,0]=4 183 B9R1.69 CC1=CC=C(C)C(Br)=N1 5008AH [1,1,0,0,0,0|2,0,0]=4 184 B9R1.69 CC1=CN=C(F)C(C)=C1 Y3683 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.69 CC1=CN=C(F)C(Cl)=C1 0761AA [1,1,0,0,0,0|2,0,0]=4 186 B9R1.69 CC1=CN=C(F)C(O)=C1 Y3761 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.69 CC1=NC(N)=C(Cl)C=C1 8342AB [1,1,0,0,0,0|2,0,0]=4 188 B9R1.69 CC1=NC(N)=C(S)C=C1 3971AB [1,1,0,0,0,0|2,0,0]=4 189 B9R1.69 NC1=C(S)N=C(Br)C=N1 0601AC [1,1,0,0,0,0|2,0,0]=4 190 B9R1.69 NC1=CN=C(Cl)C(N)=N1 2251AJ [1,1,0,0,0,0|2,0,0]=4 191 B9R1.7 CC1=CN(CCN)N=C1 7229AC [0,1,0,0,1,0|2,0,0]=4 192 B9R1.7 CC1=CN=C(CCN)S1 3258AF [0,1,0,0,1,0|1,0,0]=3 193 B9R1.7 CC1=NC(CC#N)=NN1 3707AC [0,1,0,0,1,0|1,0,1]=4 194 B9R1.7 CC1=NC(CCN)=CN1 4612AB [0,1,0,0,1,0|0,0,1]=3 195 B9R1.7 CC1=NC(CCN)=NN1 6359AB [0,1,0,0,1,0|1,0,0]=3 196 B9R1.7 CC1=NC=C(CCN)N1 3349AC [0,1,0,0,1,0|0,0,1]=3 197 B9R1.7 CC1=NN(CCBr)C=C1 1234AC [0,1,0,0,1,0|1,0,0]=3 198 B9R1.7 CC1=NN(CCN)C=C1 6993AE [0,1,0,0,1,0|1,0,0]=3 199 B9R1.7 CC1=NN=C(CCN)O1 1219AJ [0,1,0,0,1,0|2,0,0]=4 200 B9R1.7 CC1=NOC(CCN)=N1 4496AD [0,1,0,0,1,0|1,0,0]=3 201 B9R1.7 CC1=NOC(CCN)=N1 4497AD [0,1,0,0,1,0|1,0,0]=3 202 B9R1.7 CCCC1=CN=C(N)S1 5101AB [0,1,0,0,1,0|2,0,0]=4 203 B9R1.7 CCCC1=NC(N)=NO1 5513AD [0,1,0,0,1,0|2,0,0]=4 204 B9R1.7 CCOC1=NOC(C)=C1 5302AA [0,1,0,0,1,0|2,0,0]=4 205 B9R1.7 CCSC1=NNC(Br)=N1 1019AD [0,1,0,0,1,0|2,0,0]=4 206 B9R1.7 CNCC1=NC(C)=NO1 3562AF [0,1,0,0,1,0|1,0,0]=3 207 B9R1.7 COCC1=CN=C(N)S1 Y1638 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.7 COCC1=NC(N)=NO1 3009AD [0,1,0,0,1,0|2,0,0]=4 209 B9R1.7 NCCC1=CSC(N)=N1 4600AA [0,1,0,0,1,0|2,0,0]=4 210 B9R1.21 CCC1=CC=C(CC)N1 1950AC [0,1,0,0,1,0|0,0,1]=3 211 B9R1.21 CCC1=CC=C(CC)S1 6997AB [0,1,0,0,1,0|1,0,0]=3 212 B9R1.21 CCC1=NN=C(CN)O1 3948AF [0,1,0,0,1,0|2,0,0]=4 213 B9R1.21 CCC1=NN=C(CN)S1 8960AC [0,1,0,0,1,0|2,0,0]=4 214 B9R1.21 COC1=NC=C(CO)S1 3726AF [0,1,0,0,1,0|2,0,0]=4 215 B9R1.21 CSC1=NC=C(CCl)N1 3197AJ [0,1,0,0,1,0|1,0,1]=4 216 B9R1.22 CC1=NC(C)=C(CCl)O1 4153AC [0,1,0,0,1,0|2,0,0]=4 217 B9R1.22 CC1=NN(C)C(CCl)=N1 3060AC [0,1,0,0,1,0|2,0,0]=4 218 B9R1.22 CCC1=C(Br)SC(Cl)=N1 Z9465 [0,1,0,0,1,0|2,0,0]=4 219 B9R1.22 CCN1N=C(C)C=C1C 9243AA [0,1,0,0,1,0|1,0,0]=3 220 B9R1.23 CCC1=NC(C)=C(C)O1 7688AB [0,1,0,0,1,0|1,0,0]=3 221 B9R1.23 CCN1C=C(N)C(C)=N1 6278AC [0,1,0,0,1,0|1,0,0]=3 222 B9R1.35 CC(=O)C1=CNC(C)=N1 2255AC [0,1,0,0,1,0|0,0,2]=4 223 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,1,0,0,1,0|0,0,2]=4 224 B9R1.35 CC(=O)C1=NOC(C)=N1 9502AH [0,1,0,0,1,0|1,0,1]=4 225 B9R1.35 CC(C)C1=NC(Br)=NO1 1210AD [0,1,0,0,1,0|2,0,0]=4 226 B9R1.35 CC1=CSC(N(C)C)=N1 9211AB [0,1,0,0,1,0|2,0,0]=4 227 B9R1.35 CC1=NOC(C(C)O)=C1 W8052 [0,1,0,0,1,0|2,0,0]=4 228 B9R1.35 CN1C=NC(N(C)C)=N1 Z1660 [0,1,0,0,1,0|2,0,0]=4 229 B9R1.14 CCN1C=NC=C1C=O 2952AC [0,1,0,0,1,0|1,0,1]=4 230 B9R1.27 CC1=NOC(C)=C1CBr X2944 [0,1,0,0,1,0|2,0,0]=4 231 B9R1.27 CCN1C(Cl)=CN=C1C 1408AQ [0,1,0,0,1,0|2,0,0]=4 232 B9R1.33 CN1C=NC=C1CNN 4618AC [0,1,0,0,1,0|2,0,0]=4 233 B9R1.33 CNCC1=C(C)N=NS1 8299AC [0,1,0,0,1,0|2,0,0]=4 234 B9R1.33 CNCC1=CSC=C1Br 4408AJ [0,1,0,0,1,0|2,0,0]=4 235 B11R1.9 COC1=CC(N)=CC(OC)=N1 8938AA [0,2,0,0,0,0|2,0,0]=4 236 B11R1.34 CCOC1=CC(N)=CC(Cl)=N1 Y4629 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.34 CCOC1=NC(C)=CC(Cl)=N1 Z2845 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.34 COCC1=CC(O)=NC(C)=N1 2090AE [0,2,0,0,0,0|2,0,0]=4 239 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 4030AB [0,2,0,0,0,0|1,0,1]=4 240 B11R1.24 CC1=CC(CCC=O)=CC=C1 4286AF [0,2,0,0,0,0|2,0,0]=4 241 B11R1.24 NCCOC1=CC(Br)=CN=C1 2061AA [0,2,0,0,0,0|2,0,0]=4 242 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 9812AA [0,2,0,0,0,0|2,0,0]=4 243 B11R1.157 CC(C)OC1=CC=CC(Cl)=N1 Z1032 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.157 CN(C)CC1=CN=CC(Br)=C1 Z1067 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.182 C=CCC1=CC(C)=CN=C1Cl 0874AD [0,2,0,0,0,0|1,0,1]=4 246 B11R1.189 COCC1=CC(CN)=CC=C1 7382AA [0,2,0,0,0,0|2,0,0]=4 247 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [0,2,0,0,0,0|2,0,0]=4 248 B11R1.192 CCNC1=CC(C)=C(C)C=C1 8938AD [0,2,0,0,0,0|2,0,0]=4 249 B11R1.192 CCOC1=CC=C(N)C(N)=N1 6693AA [0,2,0,0,0,0|2,0,0]=4 250 B11R1.192 CCOC1=CN=C(Br)C(N)=C1 W7731 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.167 CC(=O)C1=NC(C)=CC=C1C 2480AC [0,2,0,0,0,0|1,0,1]=4 252 B11R1.167 CC1=CC=C(O)C(C(C)C)=C1 Z3589 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.277 CC1=NC(C)=C(C)N=C1CBr X7946 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.280 CNC1=CC=C(N)C(OC)=N1 3581AJ [0,2,0,0,0,0|2,0,0]=4 255 B11R1.280 COC1=CC=C(O)C(OC)=N1 Z1004 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.280 COC1=CN=C(F)C(CO)=C1 8504AH [0,2,0,0,0,0|2,0,0]=4 257 B11R1.280 OCC1=NC(CO)=C(O)C=C1 0821AQ [0,2,0,0,0,0|2,0,0]=4 258 B11R1.21 CC1=C(F)C=CC([C@@H](C)N)=C1 3792AA [0,2,0,0,0,0|2,0,0]=4 259 B11R1.21 CC1=CC(C(F)F)=CN=C1Cl 4086AD [0,2,0,0,0,0|2,0,0]=4 260 B11R1.21 CC1=CC([C@H](C)N)=CC=C1Cl W9678 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.21 CC1=NC=C(C(C)C)N=C1C 5550AB [0,2,0,0,0,0|0,0,0]=2 262 B11R1.155 CC1=NC(S(C)(=O)=O)=NN=C1 3985AF [0,2,0,0,0,0|2,0,0]=4 263 B11R1.155 FC(F)(F)C1=CN=CC(I)=N1 4217AD [0,2,0,0,0,0|2,0,0]=4 264 B11R1.155 FC1=CN=CC(C(F)(F)F)=N1 0979AD [0,2,0,0,0,0|2,0,0]=4 265 B11R1.266 CN(C)C1=NC(CCl)=CC=C1 5470AB [0,2,0,0,0,0|2,0,0]=4 266 B11R1.266 COC1=CC=CC([C@H](C)O)=C1 5517AA [0,2,0,0,0,0|2,0,0]=4 267 B11R1.266 COC1=CN=CC(C(N)=S)=N1 Y5516 [0,2,0,0,0,0|1,0,1]=4 268 B11R1.266 CSC1=NC(C(C)=O)=CN=N1 1397AL [0,2,0,0,0,0|1,0,1]=4 269 B11R1.279 CCC1=NC(Cl)=C(CC)N=C1 0431AC [0,2,0,0,0,0|1,0,0]=3 270 B11R1.279 COC1=CC(C)=C(C#N)N=C1 3250AJ [0,2,0,0,0,0|2,0,0]=4 271 B11R1.279 COC1=CN=C(OC)C(C)=C1 Z0104 [0,2,0,0,0,0|2,0,0]=4 272 B9R2.3 C1=C2CNCC2=CS1 6290AJ [0,0,0,1,1,0|2,0,0]=4 273 B11R2.35 BrC1=CC(C2CC2)=CN=C1 Y3583 [0,1,0,1,0,0|2,0,0]=4 274 B11R2.36 CC1=CC2=C(CCC2)N=C1 2832AB [0,1,0,1,0,0|1,0,0]=3 275 B11R2.36 ClC1=CC=C2CNCC2=N1 Y6667 [0,1,0,1,0,0|2,0,0]=4 276 B11R2.36 ClC1=CN=C2CCCC2=C1 5171AA [0,1,0,1,0,0|2,0,0]=4 277 B7R1.1 BrCC1=CC=NO1 0787AC [1,0,0,0,1,0|2,0,0]=4 278 B7R1.1 BrCC1=CN=CS1 Y7777 [1,0,0,0,1,0|2,0,0]=4 279 B7R1.1 BrCC1=CNC=N1 2559AC [1,0,0,0,1,0|1,0,1]=4 280 B7R1.1 BrCC1=COC=C1 Z5546 [1,0,0,0,1,0|2,0,0]=4 281 B7R1.1 BrCC1=NC=CS1 5217AA [1,0,0,0,1,0|2,0,0]=4 282 B7R1.1 CCC1=CNN=C1 5501AD [1,0,0,0,1,0|1,0,0]=3 283 B7R1.1 CCC1=CSC=N1 9240AA [1,0,0,0,1,0|1,0,0]=3 284 B7R1.1 CCC1=[C-]CC=C1 3755AB [1,0,0,0,1,0|1,0,1]=4 285 B7R1.1 CNC1=NC=CO1 6947AC [1,0,0,0,1,0|2,0,0]=4 286 B7R1.1 CSC1=CC=CO1 3661AD [1,0,0,0,1,0|2,0,0]=4 287 B7R1.1 ClCC1=CN=CO1 8892AA [1,0,0,0,1,0|2,0,0]=4 288 B7R1.1 ClCC1=CN=CS1 Z3006 [1,0,0,0,1,0|2,0,0]=4 289 B7R1.1 ClCC1=CNN=C1 8278AA [1,0,0,0,1,0|2,0,0]=4 290 B7R1.1 ClCC1=COC=N1 1964AC [1,0,0,0,1,0|2,0,0]=4 291 B7R1.1 ClCC1=NOC=C1 8517AB [1,0,0,0,1,0|2,0,0]=4 292 B7R1.1 NCC1=CC=NO1 5355AB [1,0,0,0,1,0|2,0,0]=4 293 B7R1.1 NCC1=CNN=C1 3378AA [1,0,0,0,1,0|2,0,0]=4 294 B7R1.1 NCC1=CON=C1 3103AA [1,0,0,0,1,0|2,0,0]=4 295 B7R1.1 NCC1=CON=C1 8976AA [1,0,0,0,1,0|2,0,0]=4 296 B7R1.1 NCC1=NC=CS1 Y9458 [1,0,0,0,1,0|2,0,0]=4 297 B7R1.1 OCC1=CC=NS1 8796AA [1,0,0,0,1,0|2,0,0]=4 298 B7R1.1 OCC1=NC=CS1 1650AB [1,0,0,0,1,0|2,0,0]=4 299 B7R1.1 OCC1=NNN=C1 2970AC [1,0,0,0,1,0|2,0,0]=4 300 B7R1.2 CC1=CC=C(Br)O1 Z5451 [1,0,0,0,1,0|2,0,0]=4 301 B7R1.2 CC1=CN=C(Br)O1 Y7373 [1,0,0,0,1,0|2,0,0]=4 302 B7R1.2 CC1=CN=C(N)N1 X7979 [1,0,0,0,1,0|1,0,1]=4 303 B7R1.2 CC1=NC(N)=CS1 0820AA [1,0,0,0,1,0|2,0,0]=4 304 B7R1.2 CC1=NC=C(N)O1 7685AA [1,0,0,0,1,0|2,0,0]=4 305 B7R1.2 CC1=NOC(N)=N1 1713AE [1,0,0,0,1,0|2,0,0]=4 306 B7R1.2 CN1C=CC(N)=N1 0807AQ [1,0,0,0,1,0|2,0,0]=4 307 B7R1.2 CN1N=CC(N)=N1 6474AC [1,0,0,0,1,0|2,0,0]=4 308 B7R1.4 CC1=C(I)C=NO1 Y9878 [1,0,0,0,1,0|2,0,0]=4 309 B7R1.4 CC1=C(N)C=NO1 4024AC [1,0,0,0,1,0|2,0,0]=4 310 B7R1.4 CC1=CSC=C1N 6789AB [1,0,0,0,1,0|2,0,0]=4 311 B7R1.4 CN1C=NC=C1N Y5509 [1,0,0,0,1,0|2,0,0]=4