0 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)C1=NC(Br)=CS1 AC160414 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 CC(C)C1=NN=C(Br)S1 AC050210 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(C)N1C=C(Br)C=N1 AC182464 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(C)N1C=CC(O)=N1 AC511304 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC(C)[C@@H]1COC(=N1)O LN00236036 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC(N)C1=NN=C(C)N1 AC030033 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 C(C1=NC(=CS1)Br)N LN02041216 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.1 CC1=CN=C(CO)S1 AC512131 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 CC1=CSC(=N1)C=O LN00003611 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.1 CC1=NOC(CN)=N1 AC200026 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.1 COC1=NC(Br)=CS1 AC160355 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 CSC1=NC(=CS1)Br LN00169678 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.1 NCC1=NC(Br)=CS1 AC010235 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.1 NCC1=NC(Br)=CS1 AC050165 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.1 OCC1=NC(Br)=CS1 AC050164 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 CC(=O)C1=NC=CN1 AC210047 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 CC(=O)C1=NC=CS1 AC510705 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.7 CC(C)C1=NC=CN1 AC130259 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.7 CC(C)N1C=CC=N1 AC130056 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 CC(N)C1=NC=CS1 AC182658 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 NC(=N)C1=NC=CS1 AC182779 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 OC(=O)C1=NC=CS1 AC510654 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 AC021262 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.14 COC(=O)C1=NC(=CS1)Br LN00202926 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.14 COC(=O)C1=NC(C)=CS1 AC182252 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.31 CC(C)C1=NC=C(CN)S1 AC512169 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.31 CC(C)N1C=CC(C=O)=N1 AC200154 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.31 CCC1=CSC(=N1)C(O)=O AC511335 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 AC020930 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [0,0,0,0,0,1|2,0,1]=4 36 B10R1.113 CN(C)C1=NC(Cl)=CN=C1 AC512180 [0,0,0,0,0,1|3,0,0]=4 37 B7R0.5 CCOC(=N)C(C)C AC200066 [1,0,1,0,0,0|0,1,1]=4 38 B7R1.1 CNC1=NC=CO1 LN00002575 [2,0,0,0,0,0|1,1,0]=4 39 B7R1.1 COC1=CC=CS1 AC130135 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 ClCC1=NC=CO1 AC050434 [2,0,0,0,0,0|1,1,0]=4 41 B7R1.1 N#CC1=NC=CS1 AC182437 [2,0,0,0,0,0|1,0,1]=4 42 B7R1.1 NCC1=CC=CS1 AC510712 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.1 O=CC1=NC=CS1 AC180755 [2,0,0,0,0,0|1,0,1]=4 44 B7R1.2 BrC1=NC(Br)=CS1 AC160436 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.2 C1=C(Cl)N=C(Br)S1 LN02041931 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.2 CC1=CC(=CS1)Br LN00009283 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.2 CC1=CC(Br)=CS1 AC181846 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.2 CC1=CN=C(C)N1 LN00227182 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.2 CC1=CN=C(C)S1 AC180738 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.2 CC1=CNC(Br)=N1 AC512184 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.2 CC1=CSC(Br)=N1 AC182309 [2,0,0,0,0,0|1,0,0]=3 52 B7R1.2 CC1=CSC(N)=N1 AC511057 [2,0,0,0,0,0|1,0,0]=3 53 B7R1.2 CC1=NC(I)=CN1 AC050638 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.2 CN1C=CC(C)=N1 AC180405 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.2 NC1=CSC(Br)=N1 AC051131 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.2 NC1=NC(Br)=CS1 AC511046 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.23 CC1=C(C)N=C(S1)C=O AC190136 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.11 BrCC(=O)C1=NC=CS1 AC040123 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.19 CC(C)(C)N1C=CC=N1 AC050391 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.21 CC(C)C1=CC(=C(C)C=C1)N LN00241970 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 AC270007 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.124 CNCC1=CSC(=N1)C(C)C AC050256 [0,2,0,0,0,0|0,0,0]=2 63 B11R1.646 CC1=NN(C(N)=C1)C(C)(C)C AC050336 [0,2,0,0,0,0|2,0,0]=4 64 B9R2.2 C1CC1C2=CNC=N2 AC010460 [1,0,0,1,0,0|2,0,0]=4 65 B9R2.2 C1CC1C2=NC=CN2 AC130001 [1,0,0,1,0,0|1,0,0]=3 66 B9R2.2 C1CC1C2=NC=CN2 LN00005479 [1,0,0,1,0,0|1,0,0]=3 67 B9R2.2 C1CC1C2=NNC=C2 LN00009759 [1,0,0,1,0,0|2,0,0]=4 68 B9R2.2 C1CC1N2C=CC=N2 AC040137 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.34 BrC1=NC=C(N=C1)C2CC2 AC050230 [0,0,0,1,0,1|2,0,0]=4 70 B11R2.34 FC1=NC=C(C=C1)C2CC2 AC030017 [0,0,0,1,0,1|2,0,0]=4 71 B11R2.34 O=C1NN=C(C=C1)C2CC2 AC182758 [0,0,0,1,0,1|2,0,0]=4 72 B11R2.34 OC1=NC=C(C=C1)C2CC2 AC030018 [0,0,0,1,0,1|2,0,0]=4 73 B11R2.21 ClCC1=NOC(=N1)C2CC2 AC190155 [0,1,0,1,0,0|1,1,0]=4 74 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [1,0,0,0,0,1|2,0,0]=4 75 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [1,0,0,0,0,1|2,0,0]=4 76 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [1,0,0,0,0,1|2,0,0]=4 77 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [1,0,0,0,0,1|2,0,0]=4