0 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [0,1,0,0,0,0|1,0,2]=4 10 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [0,1,0,0,0,0|0,0,2]=3 11 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,0|0,0,2]=3 12 B10R1.1 S=C=NC1=CC=C(I)C=C1 S00350 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.3 COC1=CC=C(C#N)C=N1 SPB04785 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [0,0,0,0,1,0|3,0,0]=4 29 B7R1.3 IC1=CC=NC=C1 MO00014 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|0,0,2]=4 32 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [1,1,0,0,0,0|1,1,0]=4 50 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.81 O\N=C\C1=CC=C(Cl)C=C1Cl SPB04865 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.83 CNCC1=CC=C(OC)C=C1 MO00889 [0,2,0,0,0,0|0,0,2]=4 56 B11R1.83 COC1=CC=C(N=C=S)C=C1 TL00326 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.83 N#CC1=CC=C(CCO)C=C1 TL00139 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.14 CC1=CC(C#N)=CC(C)=C1O RDP00227 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 RH00194 [0,2,0,0,0,0|1,0,0]=3 66 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CC05910 [0,1,0,1,0,0|2,0,0]=4 67 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CC45910 [0,1,0,1,0,0|2,0,0]=4 68 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [0,1,0,1,0,0|1,0,0]=3 69 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [0,1,0,1,0,0|2,0,0]=4 70 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.36 NC1=CC2=C(C=C1)N=CS2 CC05914 [0,1,0,1,0,0|2,0,0]=4 72 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [0,1,0,1,0,0|1,0,0]=3 73 B11R2.36 NC1=CC2=C(C=C1)SC=C2 CC24814 [0,1,0,1,0,0|1,0,0]=3 74 B11R2.36 NC1=CC2=C(C=C1)SC=N2 MO07036 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,1,0|2,0,0]=4