0 B10R1.61 CC1=C(C(=O)O)N=CC=N1 AMPZ0024 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC1=NC=CC=C1C(=O)O AMPD00079 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC1=NC=CC=C1C(N)=O AMPD00235 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 NC(=O)C1=CN=CC=C1Cl AMPD00144 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 AMPD00147 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 AMPZ0010 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 O=N(=O)C1=C(O)C=CN=C1 AMPD00059 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.61 O=N(=O)C1=CC=CN=C1Br AMPD00124 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.61 O=N(=O)C1=CN=CC=C1Cl AMPD00048 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.61 OB(O)C1=C(O)C=CC=C1 AMBA00098 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.6 NC(=O)C1=CC=CC=N1 AMPD00164 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 NC(=O)C1=NC=CC=N1 AMMD00047 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.6 O=C(Cl)C1=CC=CC=N1 AMPD00171 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 BrCC1=C(I)C=CC=C1 AMBZ0166 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 C(=O)C1=CC=NC=C1Br AMPD00062 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 CCC1=C(O)C=CC=N1 AMPD00071 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.15 FC1=CC=CC=C1CBr AMBZ0151 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 NC1=C(CBr)C=CC=C1 AMBZ0032 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 NC1=CC=CC=C1CBr AMBZ0055 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 NCC1=C(O)C=NC=C1 AMPD00023 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.15 O=CC1=C(S)C=CC=C1 AMBZ0043 [1,0,0,0,0,0|0,1,0]=2 21 B9R1.15 OCC1=C(Br)C=NC=C1 AMPD00031 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 AMBZ0196 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.53 CSC1=C(B(O)O)C=CC=C1 AMBA00100 [0,1,0,0,0,0|1,1,1]=4 24 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 AMBZ0163 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.53 O=N(=O)C1=CC=CC=C1CBr AMBZ0158 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 AMBZ0456 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 AMBZ0445 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.156 O=N(=O)C1=C(Br)C=CC=C1Br AMBZ0265 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 AMPD00051 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.159 O=C(O)C1=CC=NC(F)=C1F AMPD00044 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.159 O=N(=O)C1=CC=CC(Br)=C1O AMBZ0124 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.159 O=N(=O)C1=CN=CC(Br)=C1O AMPD00056 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.166 CC(=O)C1=CC=C(C)C=C1O AMBZ0314 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.166 CC1=CC(F)=CC=C1C(=O)O AMBZ0018 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.166 NC(=O)C1=C(Cl)N=C(Cl)C=C1 AMPD00271 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 AMBZ0023 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AMBZ0009 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AMBZ0424 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 AMPD00081 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.167 NC1=CN=C(F)C=C1C(=O)O AMPD00016 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 AMBZ0056 [0,1,0,0,0,0|1,1,0]=3 42 B11R1.222 COC(=O)C1=CC=CN=C1C AMPD00078 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.222 COC(=O)C1=NC=CN=C1C AMPZ0002 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.222 N[C@H](CO)C1=CC=CC=C1F AMGLY00085 [0,1,0,0,0,0|2,0,1]=4 45 B11R2.1 BrC1=CNC2=CC=CC=C12 AMOT0036 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.1 NC1=CNC2=CC=CC=C12 AMOT0054 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.1 O=C1CCC2=CC=CN=C12 AMPD00350 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.41 CC1=NOC=C1C(=O)O AMOT0112 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.41 CN1N=CC=C1C(=O)O AMOT0441 [0,0,0,0,1,0|3,0,0]=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 B8R1.5 CC1=NC=CC=C1O AMPD00145 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.5 NC1=C(O)C=NC=C1 AMPD00180 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 OC1=C(O)C=NC=C1 AMPD00018 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AMPD00159 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AMPD00158 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 CC1=CC=C(C(N)=O)C=N1 AMPD00206 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 CC1=CN=C(C(=O)O)C=N1 AMPZ0023 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 AMPD00110 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 AMPD00160 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 AMOT0095 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 AMPZ0015 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.13 O=C(O)C1=CN=C(O)C=N1 AMPZ0014 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 AMPZ0019 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AMBA00064 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AMBA00055 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.13 OB(O)C1=CC=C(F)C=C1 AMBA00057 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.13 OB(O)C1=CC=C(O)C=C1 AMBA00022 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.15 O=C(CF)C1=CC=CC=C1 AMBZ0003 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 AMBZ0268 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.113 CC1=CC(C(=O)O)=CC=N1 AMPD00036 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.113 CC1=CC=CC(C(=O)O)=N1 AMPD00043 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.113 CC1=CN=CC(C(=O)O)=N1 AMPZ0022 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.113 NC(=O)C1=CN=CC(O)=C1 AMPD00082 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 AMPD00035 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.113 O=C1C=C(C(=O)O)C=NN1 AMOT0110 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.113 OB(O)C1=CC(Br)=CC=C1 AMBA00084 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.2 NC1=C(Cl)C=CC=C1CO AMBZ0288 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.4 O=CCC1=C(Cl)C=CC=C1 AMBZ0299 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.20 COC1=CC=CC=C1CBr AMBZ0001 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.30 CC1=CC(C=O)=C(N)N=C1 AMPD00112 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.30 COC1=CC(Cl)=CC=C1O AMBZ0243 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.245 O=CC1=C(Cl)N=CC=C1Cl AMPD00281 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.245 O=CC1=C(Cl)N=CC=C1I AMPD00265 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.149 COC(=O)C1=C(O)C=CS1 AMOT0915 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.75 CC(=O)NC1=CC=CC=C1CBr AMBZ0050 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AMBZ0363 [0,1,0,0,0,1|1,0,0]=3 88 B12R1.57 COC1=C(C(=O)O)C=NC(Cl)=C1 AMPD00075 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 AMBZ0198 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 AMBZ0132 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.261 O=N(=O)C1=CC=CC=C1B(O)O AMBA00066 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.894 NC1=CC=C(F)C(F)=C1C(=O)O AMBZ0047 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl AMBZ0051 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.440 COC1=NC=CC(C(=O)O)=C1Cl AMPD00118 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.511 O=C(O)C1=C(I)C(I)=CC(I)=C1 AMBZ0131 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.232 O=N(=O)C1=C(O)C=C(F)C(Br)=C1 AMBZ0331 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.452 COC1=CC=C(C(C)=O)C(N)=C1 AMBZ0060 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)N=C1 AMPD00077 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C AMPD00215 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.1703 COC(=O)C1=NC=C(C)C=C1Br AMPD00219 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1C AMPD00017 [0,2,0,0,0,0|2,0,0]=4 102 B12R2.24 OC1=CC2=CC=CC=C2C=N1 AMPD00234 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 AMOT0004 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AMBZ0092 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AMOT0737 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AMOT0596 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 AMOT0798 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.203 O=C1OCC2=C1C(Cl)=CC=C2 AMOT0822 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.196 CC1=CC=CC2=C1CCC2=O AMOT0699 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.196 CC1=CC=CC2=C1OCC2=O AMOT0802 [0,1,0,1,0,0|1,0,0]=3 111 B12R2.196 O=C1CCC2=C1C=CC=C2Br AMOT0652 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.196 O=C1CCC2=C1C=CC=C2Cl AMOT0651 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.196 O=C1CCC2=C1C=CC=C2F AMOT0819 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.196 O=C1COC2=C(Br)C=CC=C12 AMOT0764 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.196 O=C1COC2=C(F)C=CC=C12 AMOT0722 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.196 O=C1OCC2=C1C=CC=C2Cl AMOT0766 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 AMOT0745 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 AMOT0688 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 AMOT0732 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 AMOT0042 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AMOT0686 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AMOT0721 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 AMOT0821 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.132 CC1=CC=C2OCC(=O)C2=C1 AMOT0775 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.132 NC1=CC2=C(C=C1)CCC2=O AMOT0820 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 AMOT0646 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 AMOT0647 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AMOT0795 [0,1,0,1,0,0|2,0,0]=4 129 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 B8R1.7 O=C(O)C1=COC=C1 AMOT0241 [1,0,0,0,1,0|1,0,0]=3 136 B8R1.7 O=C(O)C1=NC=CO1 AMOT0347 [1,0,0,0,1,0|2,0,0]=4 137 B12R1.125 O=C(O)CCC1=CC=CC=C1Br AMBZ0171 [0,0,0,0,0,2|1,0,0]=3