0 B9R1.6 C[C@@H](N)C1=CN=CN=C1 AMMD00053 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 C[C@H](N)C1=CN=CN=C1 AMMD00052 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 NC(=O)C1=CC=CC=N1 AMPD00164 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 NC(=O)C1=NC=CC=N1 AMMD00047 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 O=C(Cl)C1=CC=CC=N1 AMPD00171 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 NCC1=CC=NC=C1 AMPD00212 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 NCC1=CC=NC=C1 AMPD00214 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.2 O=CC1=CN=CN=C1 AMMD00015 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.2 O=CC1=NC=CC=N1 AMMD00013 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AMPD00159 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AMPD00158 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.13 CC1=CC=C(C(N)=O)C=N1 AMPD00206 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.13 CC1=CC=C([C@H](C)N)C=N1 AMPD00297 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.13 CC1=CN=C(C(=O)O)C=N1 AMPZ0023 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 AMOT0100 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 AMPD00110 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 AMPD00160 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 AMOT0095 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 AMPZ0015 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.13 O=C(O)C1=CN=C(O)C=N1 AMPZ0014 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 AMPZ0019 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.15 N[C@@H](CO)C1=CC=CN=C1 AMPD00296 [0,1,0,0,0,0|0,0,2]=3 22 B10R1.15 O=C(CF)C1=CC=CC=C1 AMBZ0003 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.61 CC1=C(C(=O)O)N=CC=N1 AMPZ0024 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.61 CC1=NC=CC=C1C(=O)O AMPD00079 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.61 CC1=NC=CC=C1C(N)=O AMPD00235 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.61 NC(=O)C1=CN=CC=C1Cl AMPD00144 [0,1,0,0,0,0|0,0,0]=1 27 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 AMPD00147 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 AMPZ0010 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.61 O=N(=O)C1=C(O)C=CN=C1 AMPD00059 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 O=N(=O)C1=CC=CN=C1Br AMPD00124 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.61 O=N(=O)C1=CN=CC=C1Cl AMPD00048 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 AMBZ0268 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.113 CC1=CC(C(=O)O)=CC=N1 AMPD00036 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AMPD00043 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.113 CC1=CN=CC(C(=O)O)=N1 AMPZ0022 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 AMPD00292 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.113 C[C@H](N)C1=CC(N)=CC=C1 AMOT0719 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AMOT0637 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.113 NC(=O)C1=CN=CC(O)=C1 AMPD00082 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 AMPD00035 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.113 O=C1C=C(C(=O)O)C=NN1 AMOT0110 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.7 CC(=O)C1=NC=CO1 AMOT0351 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.7 NC(=O)C1=CC=NO1 AMOT0325 [0,0,0,0,1,0|1,0,0]=2 44 B8R1.7 O=C(O)C1=COC=C1 AMOT0241 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.7 O=C(O)C1=NC=CO1 AMOT0347 [0,0,0,0,1,0|2,0,0]=3 46 B8R1.7 O=N(=O)C1=CC=CO1 AMOT0097 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.18 NC(=O)CC1=CC=CN=C1 AMPD00251 [0,0,0,0,0,1|0,0,0]=1 48 B10R1.18 NC(=S)NC1=CC=CC=N1 AMPD00167 [0,0,0,0,0,1|2,1,0]=4 49 B7R1.3 BrC1=CN=CN=C1 AMMD00035 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.3 IC1=NC=CN=C1 AMPZ0008 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.3 NC1=CC=NC=C1 AMPD00207 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.3 O=C1C=CC=NN1 AMOT0201 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.1 CC1=CC=C(CBr)C=N1 AMPD00037 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.1 CC1=CC=C(CBr)C=N1 AMPD00038 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.1 CC1=CC=C(CO)C=N1 AMPD00039 [1,1,0,0,0,0|0,0,2]=4 56 B9R1.1 NCC1=CC=C(Br)C=C1 AMBZ0458 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.1 NCC1=CC=C(O)C=C1 AMBZ0457 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.1 O=CC1=NC=C(Br)C=C1 AMPD00055 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.2 O=CC1=CC(Cl)=NC=C1 AMPD00168 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.8 CNCC1=CC=CN=C1 AMPD00053 [1,1,0,0,0,0|0,0,1]=3 61 B9R1.8 N#CCC1=CC=CN=C1 AMPD00252 [1,1,0,0,0,0|0,0,2]=4 62 B9R1.8 ONCC1=CC=CC=C1 AMBZ0382 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.15 C(=O)C1=CC=NC=C1Br AMPD00062 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.15 CC1=C(CN)C=CC=N1 AMPD00230 [1,1,0,0,0,0|0,0,1]=3 65 B9R1.15 CC1=NC=CC=C1C#N AMPD00233 [1,1,0,0,0,0|0,0,2]=4 66 B9R1.15 FC1=NC=CC=C1CBr AMPD00073 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.15 NCC1=CN=CC=C1Cl AMPD00226 [1,1,0,0,0,0|0,0,1]=3 68 B9R1.15 O=CC1=C(S)C=CC=C1 AMBZ0043 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.35 CC(=O)C1=CN(C)N=C1 AMOT0089 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.35 CC1=CC(C(=O)O)=NO1 AMOT0306 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.35 CC1=NC(C(N)=O)=CO1 AMOT0287 [0,1,0,0,1,0|1,0,0]=3 72 B9R1.41 CC1=NOC=C1C(=O)O AMOT0112 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.41 CN1N=CC=C1C(=O)O AMOT0441 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 AMBZ0197 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.3 COC1=NC=C(C(=O)O)N=C1 AMPZ0017 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 AMBZ0165 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.21 O=N(=O)C1=CN=C(Br)C(Cl)=C1 AMPD00033 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 AMOT0099 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 AMPZ0013 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 AMPZ0012 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.22 COC(=O)C1=NC=C(C)N=C1 AMPZ0029 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 AMBZ0029 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.166 CC(=O)C1=CC=C(C)C=C1O AMBZ0314 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.166 CC1=CC(F)=CC=C1C(=O)O AMBZ0018 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.166 NC(=O)C1=C(Cl)N=C(Cl)C=C1 AMPD00271 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl AMPZ0026 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 AMBZ0023 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AMBZ0088 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 AMPD00128 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.23 COC(=O)C1=NC(C)=CN=C1 AMPZ0030 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 AMBZ0056 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.222 COC(=O)C1=CC=CN=C1C AMPD00078 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.222 COC(=O)C1=NC=CN=C1C AMPZ0002 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 AMBZ0196 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 AMBZ0163 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 AMBZ0445 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.159 O=N(=O)C1=CN=CC(Br)=C1Cl AMPD00210 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.159 O=N(=O)C1=CN=CC(Br)=C1O AMPD00056 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AMBZ0009 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AMBZ0424 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 AMPD00081 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.167 O=N(=O)C1=CC(Br)=CN=C1Br AMPD00122 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 AMBZ0036 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.74 CC1=CC(F)=CC(C(=O)O)=C1 AMBZ0024 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AMBZ0164 [0,2,0,0,0,0|2,0,0]=4 106 B11R2.1 BrC1=CNC2=CC=CC=C12 AMOT0036 [0,1,0,1,0,0|2,0,0]=4 107 B11R2.1 NC1=CNC2=CC=CC=C12 AMOT0054 [0,1,0,1,0,0|2,0,0]=4 108 B11R2.1 N[C@@H]1CCC2=C1C=NC=C2 AMPD00295 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.1 NCC1=CNN=C1 AMOT0088 [1,0,0,0,1,0|1,0,1]=4 110 B7R1.1 O=CC1=CN=CS1 AMOT0280 [1,0,0,0,1,0|1,0,0]=3 111 B7R1.1 O=CC1=COC=C1 AMOT0244 [1,0,0,0,1,0|1,0,0]=3 112 B7R1.1 O=CC1=CSC=N1 AMOT0279 [1,0,0,0,1,0|1,0,0]=3 113 B7R1.1 O=CC1=NC=CO1 AMOT0346 [1,0,0,0,1,0|1,0,0]=3