0 B10R1.15 CC(CS)C1=CC=CC=C1 AMBZ0298 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 N[C@@H](CO)C1=CC=CN=C1 AMPD00296 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 O=C(CF)C1=CC=CC=C1 AMBZ0003 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 C[C@@H](N)C1=CN=CN=C1 AMMD00053 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 C[C@H](N)C1=CN=CN=C1 AMMD00052 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 CNCC1=CC=CN=C1 AMPD00053 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 N#CCC1=CC=CN=C1 AMPD00252 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 ONCC1=CC=CC=C1 AMBZ0382 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AMBZ0088 [0,1,0,0,0,0|0,0,3]=4 9 B11R1.22 N#C[C@H](N)C1=CC=C(F)C=C1 AMOT0900 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.22 N#C[C@H](N)C1=CC=C(N)C=C1 AMOT0899 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 AMGLY00149 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 AMGLY00240 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AMGLY00020 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 AMGLY00054 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 AMGLY00142 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 AMGLY00021 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 AMBZ0029 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 AMOT0486 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 AMGLY00025 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 AMGLY00026 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AMGLY00027 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 AMGLY00029 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 NC(CO)C1=CC=CC(F)=C1 AMGLY00139 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 AMGLY00003 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 AMGLY00002 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 AMGLY00028 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 AMGLY00005 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AMGLY00004 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 AMGLY00030 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 AMBZ0056 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.222 N[C@H](CO)C1=CC=CC=C1F AMGLY00085 [0,1,0,0,0,0|2,0,0]=3 32 B11R2.1 N[C@@H]1CCC2=C1C=NC=C2 AMPD00295 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.1 O=C1CCC2=CC=CN=C12 AMPD00350 [0,0,0,1,0,0|1,0,2]=4 34 B11R2.1 OC1CCC2=CC=CN=C21 AMPD00349 [0,0,0,1,0,0|1,0,0]=2 35 B11R2.239 C1=CC=C(C2COC2)C=C1 AMOT00010 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.40 COC(=N)CC1=CC=CC=C1 AMBZ0305 [0,0,0,0,0,1|2,0,1]=4 37 B8R1.2 CNC1=CC=NC=C1 AMPD00220 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 NCC1=CC=NC=C1 AMPD00212 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NCC1=CC=NC=C1 AMPD00214 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.13 CC1=CC=C([C@H](C)N)C=N1 AMPD00297 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 OB(O)C1=CC=C(Br)C=C1 AMBA00064 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 AMBA00055 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.13 OB(O)C1=CC=C(F)C=C1 AMBA00057 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.13 OB(O)C1=CC=C(O)C=C1 AMBA00022 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.61 OB(O)C1=C(O)C=CC=C1 AMBA00098 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 AMBZ0268 [1,1,0,0,0,0|0,0,2]=4 47 B10R1.113 CC(N)C1=NC(Br)=CC=C1 AMPD00303 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 AMPD00292 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 C[C@H](N)C1=CC(N)=CC=C1 AMOT0719 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AMOT0637 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.113 OB(O)C1=CC(Br)=CC=C1 AMBA00084 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.4 O=CCC1=C(Cl)C=CC=C1 AMBZ0299 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.17 NCCSC1=CC=NC=C1 AMPD00068 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.17 O=C=NCC1=CC=CC=C1 AMBZ0271 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.9 CC(N)(CO)C1=CC=C(F)C=C1 AMGLY00213 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 AMGLY00158 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.16 CCC[C@@H](N)C1=CC=C(F)C=C1 AMOT0621 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.16 CCC[C@H](N)C1=CC=C(N)C=C1 AMOT0548 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 AMBZ0432 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 AMBZ0183 [0,2,0,0,0,0|0,0,2]=4 61 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1C AMOT0818 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AMGLY00012 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 AMOT0524 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 AMOT0526 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.367 N[C@@H](CO)C1=CC=C(Cl)C(Cl)=C1 AMGLY00013 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.367 N[C@@H](CO)C1=CC=C(F)C(F)=C1 AMGLY00238 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.367 N[C@H](CO)C1=CC=C(F)C(F)=C1 AMGLY00237 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.1703 CC[C@@H](N)C1=CC=C(F)C=C1C AMOT0539 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.358 CC[C@@H](N)C1=CC(F)=CC(F)=C1 AMOT0749 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.77 CSC1=CC=CC=C1[C@H](N)CO AMGLY00064 [0,2,0,0,0,0|2,0,0]=4 71 B10R2.7 C1=CC2=C(C=C1)NCC2 AMBZ0179 [1,0,0,1,0,0|1,0,0]=3 72 B10R2.7 C1=CC=C2CNCC2=C1 AMBZ0192 [1,0,0,1,0,0|1,0,0]=3 73 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 AMBZ0430 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.116 NC1(C2=CC=CN=C2)CCC1 AMCB00060 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.116 NC1(C2=CC=NC=C2)CCC1 AMCB00059 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AMOT0789 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 AMOT0783 [0,1,0,1,0,0|1,0,0]=3 78 B12R2.2 C1=CN=CC(C2CCCN2)=C1 AMPD00301 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 AMPD00298 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AMBZ0092 [0,1,0,1,0,0|0,0,2]=4 81 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 AMOT0745 [0,1,0,1,0,0|0,0,2]=4 82 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 AMOT0732 [0,1,0,1,0,0|0,0,2]=4 83 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AMBZ0446 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AMBZ0419 [0,1,0,1,0,0|1,0,0]=3 85 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 AMOT0480 [0,1,0,1,0,0|1,0,0]=3 86 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 AMOT0728 [0,1,0,1,0,0|0,0,0]=2 87 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AMOT0726 [0,1,0,1,0,0|0,0,0]=2 88 B12R2.612 OC1CCC2=C1C=CC(F)=C2 AMOT0767 [0,1,0,1,0,0|0,0,0]=2 89 B12R2.132 NC1=CC2=C(C=C1)CCC2=O AMOT0820 [0,1,0,1,0,0|0,0,2]=4 90 B12R2.132 NC1CCC2=C1C=C(F)C=C2 AMOT0648 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.132 NC1CCC2=C1C=C(O)C=C2 AMIN0004 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 AMBZ0466 [0,1,0,1,0,0|1,0,0]=3 93 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 AMOT0662 [0,1,0,1,0,0|1,0,0]=3 94 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 AMBZ0428 [0,1,0,1,0,0|1,0,0]=3 95 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 AMOT0646 [0,1,0,1,0,0|0,0,2]=4 96 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 AMOT0647 [0,1,0,1,0,0|0,0,2]=4 97 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AMOT0795 [0,1,0,1,0,0|0,0,2]=4 98 B12R2.132 OC1=CC2=C(C=C1)CCC2O AMIN0002 [0,1,0,1,0,0|0,0,0]=2 99 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AMOT0828 [0,1,0,1,0,0|0,0,0]=2 100 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 AMOT0769 [0,1,0,1,0,0|0,0,0]=2 101 B12R2.132 OC1CCC2=C1C=C(F)C=C2 AMOT0768 [0,1,0,1,0,0|0,0,0]=2 102 B12R2.196 CC1=CC=CC2=C1CCC2=O AMOT0699 [0,1,0,1,0,0|0,0,2]=4 103 B12R2.196 CC1=CC=CC2=C1CCC2O AMOT0805 [0,1,0,1,0,0|0,0,0]=2 104 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Cl AMOT0882 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.196 O=C1CCC2=C1C=CC=C2Br AMOT0652 [0,1,0,1,0,0|0,0,2]=4 106 B12R2.196 O=C1CCC2=C1C=CC=C2Cl AMOT0651 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.196 O=C1CCC2=C1C=CC=C2F AMOT0819 [0,1,0,1,0,0|0,0,2]=4 108 B12R2.196 OC1CCC2=C1C=CC=C2Br AMOT0661 [0,1,0,1,0,0|0,0,0]=2 109 B12R2.196 OC1CCC2=C1C=CC=C2Cl AMOT0720 [0,1,0,1,0,0|0,0,0]=2 110 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 AMOT00009 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.88 CC1(C2=C(Cl)C=CC=C2)CO1 AMBZ0350 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AMOT0737 [0,1,0,1,0,0|0,0,2]=4 113 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 AMGLY00061 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AMOT0596 [0,1,0,1,0,0|0,0,2]=4 115 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 AMOT0798 [0,1,0,1,0,0|0,0,2]=4