0 B10R1.15 CC(CS)C1=CC=CC=C1 AMBZ0298 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 N[C@@H](CO)C1=CC=CN=C1 AMPD00296 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 O=C(CF)C1=CC=CC=C1 AMBZ0003 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 NC(=O)C1=CC=CC=N1 AMPD00164 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.6 NC(=O)C1=NC=CC=N1 AMMD00047 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.6 O=C(Cl)C1=CC=CC=N1 AMPD00171 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 CNCC1=CC=CN=C1 AMPD00053 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 ONCC1=CC=CC=C1 AMBZ0382 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AMBZ0088 [0,1,0,0,0,0|0,0,1]=2 9 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 AMOT0099 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.22 COC(=O)C1=CC=C(N)C=N1 AMPD00019 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 AMPZ0013 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 AMPZ0012 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.22 COC(=O)C1=NC=C(C)N=C1 AMPZ0029 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 AMGLY00149 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 AMGLY00240 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AMGLY00020 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 AMGLY00054 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 AMGLY00142 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 AMGLY00021 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 AMBZ0029 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 AMOT0486 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 AMPD00128 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 COC(=O)C1=NC(C)=CN=C1 AMPZ0030 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 AMGLY00025 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 AMGLY00026 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AMGLY00027 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AMGLY00029 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.23 NC(CO)C1=CC=CC(F)=C1 AMGLY00139 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 AMGLY00003 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 AMGLY00002 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AMGLY00028 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 AMGLY00005 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AMGLY00004 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AMGLY00030 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 AMBZ0056 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.222 COC(=O)C1=CC=CN=C1C AMPD00078 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.222 COC(=O)C1=NC=CN=C1C AMPZ0002 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.222 N[C@H](CO)C1=CC=CC=C1F AMGLY00085 [0,1,0,0,0,0|2,0,1]=4 39 B11R2.1 BrC1=CNC2=CC=CC=C12 AMOT0036 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.1 NC1=CNC2=CC=CC=C12 AMOT0054 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.1 N[C@@H]1CCC2=C1C=NC=C2 AMPD00295 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.1 O=C1CCC2=CC=CN=C12 AMPD00350 [0,0,0,1,0,0|1,0,0]=2 43 B11R2.1 OC1CCC2=CC=CN=C21 AMPD00349 [0,0,0,1,0,0|1,0,2]=4 44 B11R2.239 C1=CC=C(C2COC2)C=C1 AMOT00010 [0,0,0,1,0,0|2,0,1]=4 45 B11R1.40 COC(=N)CC1=CC=CC=C1 AMBZ0305 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.40 COC(=O)CC1=CC=CC=N1 AMPD00225 [0,0,0,0,0,1|2,0,0]=3 47 B8R1.2 CNC1=CC=NC=C1 AMPD00220 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 NCC1=CC=NC=C1 AMPD00212 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 NCC1=CC=NC=C1 AMPD00214 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 O=CC1=CN=CN=C1 AMMD00015 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.2 O=CC1=NC=CC=N1 AMMD00013 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AMPD00159 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AMPD00158 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.13 CC1=CC=C(C(N)=O)C=N1 AMPD00206 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 AMPD00110 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 AMPD00160 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.61 CC1=NC=CC=C1C(=O)O AMPD00079 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.61 CC1=NC=CC=C1C(N)=O AMPD00235 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.61 NC(=O)C1=CN=CC=C1Cl AMPD00144 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 AMPD00147 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 AMBZ0268 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.113 CC1=CC(C(=O)O)=CC=N1 AMPD00036 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AMPD00043 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.113 C[C@H](N)C1=CC(N)=CC=C1 AMOT0719 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AMOT0637 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.113 NC(=O)C1=CN=CC(O)=C1 AMPD00082 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 AMPD00035 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.17 NCCSC1=CC=NC=C1 AMPD00068 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.11 CCOC(=O)C1=CN=CO1 AMOT0196 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.14 COC(=O)C1=CC=C(Br)N1 AMOT0128 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.149 COC(=O)C1=C(O)C=CS1 AMOT0915 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AMBZ0363 [0,1,0,0,0,1|1,0,0]=3 73 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 AMGLY00158 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.16 CCC[C@@H](N)C1=CC=C(F)C=C1 AMOT0621 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.16 CCC[C@H](N)C1=CC=C(N)C=C1 AMOT0548 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 AMOT0101 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=N1 AMPZ0018 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 AMBZ0432 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 AMPD00125 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 AMMD00051 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 AMBZ0183 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1C AMOT0818 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 AMBZ0194 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 AMPD00245 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 AMOT0524 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 AMOT0526 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.367 COC(=O)C1=CC(F)=C(Br)N=C1 AMPD00034 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 AMPD00228 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.367 O=C(CCl)C1=CC=C(F)C(F)=C1 AMBZ0407 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.1703 CC[C@@H](N)C1=CC=C(F)C=C1C AMOT0539 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)N=C1 AMPD00077 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C AMPD00215 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.1703 COC(=O)C1=NC=C(C)C=C1Br AMPD00219 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1C AMPD00017 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.358 CC[C@@H](N)C1=CC(F)=CC(F)=C1 AMOT0749 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 AMBZ0195 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 AMBZ0140 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 AMBZ0198 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 AMBZ0132 [0,2,0,0,0,0|1,0,0]=3 100 B10R2.7 C1=CC2=C(C=C1)NCC2 AMBZ0179 [1,0,0,1,0,0|1,0,0]=3 101 B10R2.7 C1=CC=C2CNCC2=C1 AMBZ0192 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 AMBZ0430 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AMOT0789 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 AMOT0783 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AMBZ0092 [0,1,0,1,0,0|0,0,0]=2 106 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 AMOT0745 [0,1,0,1,0,0|0,0,0]=2 107 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 AMOT0688 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 AMOT0732 [0,1,0,1,0,0|0,0,0]=2 109 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 AMOT0042 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AMBZ0446 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AMBZ0419 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 AMOT0480 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AMOT0686 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AMOT0721 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 AMOT0821 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 AMOT0728 [0,1,0,1,0,0|0,0,2]=4 117 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AMOT0726 [0,1,0,1,0,0|0,0,2]=4 118 B12R2.612 OC1CCC2=C1C=CC(F)=C2 AMOT0767 [0,1,0,1,0,0|0,0,2]=4 119 B12R2.132 CC1=CC=C2OCC(=O)C2=C1 AMOT0775 [0,1,0,1,0,0|1,0,0]=3 120 B12R2.132 NC1=CC2=C(C=C1)CCC2=O AMOT0820 [0,1,0,1,0,0|0,0,0]=2 121 B12R2.132 NC1CCC2=C1C=C(F)C=C2 AMOT0648 [0,1,0,1,0,0|1,0,1]=4 122 B12R2.132 NC1CCC2=C1C=C(O)C=C2 AMIN0004 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 AMBZ0466 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 AMOT0662 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 AMBZ0428 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 AMOT0646 [0,1,0,1,0,0|0,0,0]=2 127 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 AMOT0647 [0,1,0,1,0,0|0,0,0]=2 128 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AMOT0795 [0,1,0,1,0,0|0,0,0]=2 129 B12R2.132 O=C1COC2=CC=C(Br)C=C12 AMOT0776 [0,1,0,1,0,0|1,0,0]=3 130 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 AMOT0723 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.132 O=C1COC2=CC=C(F)C=C12 AMOT0792 [0,1,0,1,0,0|1,0,0]=3 132 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 AMOT0681 [0,1,0,1,0,0|1,0,0]=3 133 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 AMOT0683 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 AMOT0697 [0,1,0,1,0,0|1,0,0]=3 135 B12R2.132 OC1=CC2=C(C=C1)CCC2O AMIN0002 [0,1,0,1,0,0|0,0,2]=4 136 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AMOT0828 [0,1,0,1,0,0|0,0,2]=4 137 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 AMOT0769 [0,1,0,1,0,0|0,0,2]=4 138 B12R2.132 OC1CCC2=C1C=C(F)C=C2 AMOT0768 [0,1,0,1,0,0|0,0,2]=4 139 B12R2.196 CC1=CC=CC2=C1CCC2=O AMOT0699 [0,1,0,1,0,0|0,0,0]=2 140 B12R2.196 CC1=CC=CC2=C1CCC2O AMOT0805 [0,1,0,1,0,0|0,0,2]=4 141 B12R2.196 CC1=CC=CC2=C1OCC2=O AMOT0802 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Cl AMOT0882 [0,1,0,1,0,0|1,0,1]=4 143 B12R2.196 O=C1CCC2=C1C=CC=C2Br AMOT0652 [0,1,0,1,0,0|0,0,0]=2 144 B12R2.196 O=C1CCC2=C1C=CC=C2Cl AMOT0651 [0,1,0,1,0,0|0,0,0]=2 145 B12R2.196 O=C1CCC2=C1C=CC=C2F AMOT0819 [0,1,0,1,0,0|0,0,0]=2 146 B12R2.196 O=C1COC2=C(Br)C=CC=C12 AMOT0764 [0,1,0,1,0,0|1,0,0]=3 147 B12R2.196 O=C1COC2=C(F)C=CC=C12 AMOT0722 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.196 O=C1OCC2=C1C=CC=C2Cl AMOT0766 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.196 OC1CCC2=C1C=CC=C2Br AMOT0661 [0,1,0,1,0,0|0,0,2]=4 150 B12R2.196 OC1CCC2=C1C=CC=C2Cl AMOT0720 [0,1,0,1,0,0|0,0,2]=4 151 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AMOT0737 [0,1,0,1,0,0|0,0,0]=2 152 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AMOT0596 [0,1,0,1,0,0|0,0,0]=2 153 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 AMOT0798 [0,1,0,1,0,0|0,0,0]=2 154 B12R2.203 O=C1OCC2=C1C(Cl)=CC=C2 AMOT0822 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.7 CC(=O)C1=NC=CO1 AMOT0351 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.7 O=C(O)C1=COC=C1 AMOT0241 [1,0,0,0,1,0|2,0,0]=4