0 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [0,0,0,0,0,0|1,1,0]=2 11 B9R1.69 NC1=CC(Cl)=CN=C1Cl SPB06843 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.69 NC1=CC=C(Cl)N=C1Cl RF05052 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 NC1=NC(Cl)=NC=C1F NP39998 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.69 NC1=NC=C(Br)C=C1Br BTB07310 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 NC1=NC=C(Br)N=C1N MAY00135 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.4 FC1=NC=CC(I)=C1 MO07994 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.4 OC1=NC=NC(Cl)=C1 MO07170 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.5 CC1=CC=CNC1=O CD09405 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.5 FC1=NC=CC=C1I MO00359 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.22 CC1=C(N)C(N)=CC(Br)=C1 MO07383 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.22 CC1=C(O)C(Cl)=CC(Br)=C1 SB01216 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.22 CC1=CC(I)=CC(C)=C1O RDP00223 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.22 ClC1=CC(Cl)=C(I)C(Cl)=C1 TL00270 [0,1,0,0,0,0|2,1,0]=4 35 B10R1.22 NC1=C(F)C=C(Br)C=C1Br BTB06640 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,1,0,0,0,0|2,1,0]=4 40 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl DP01309 [0,1,0,0,0,0|1,1,1]=4 44 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [0,1,0,0,0,0|1,1,0]=3 45 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 TL00770 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.118 CC1=CC(I)=C(C)C=C1I BTB13663 [0,1,0,0,0,0|2,1,0]=4 47 B10R1.118 CC1=CC(N)=C(C)C=C1Cl MAY00162 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,1,0,0,0,0|1,1,0]=3 50 B7R1.3 IC1=CC=NC=C1 MO00014 [2,0,0,0,0,0|1,1,0]=4 51 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,1,0,0,0,0|1,1,0]=4 52 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|1,1,0]=4 53 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,1,0,0,0,0|1,1,0]=4 55 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,1,0,0,0,0|0,1,1]=4 56 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,1,0,0,0,0|0,1,0]=3 57 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [1,1,0,0,0,0|1,1,0]=4 58 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|1,1,0]=4 59 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.34 CC1=CC(C)=CC(F)=C1 HAN00040 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 RF04500 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.34 NC1=CC(O)=CC(O)=C1 BTB10193 [1,1,0,0,0,0|0,0,0]=2 71 B9R1.15 COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.15 COC1=NC=CC=C1N SPB07839 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.15 N#CC1=NC=CC=C1F MO07483 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.32 NC1=C(Br)C(Cl)=C(F)C=C1Br BTB04528 [0,2,0,0,0,0|1,1,0]=4 76 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.182 FC1=CC=C(Cl)C=C1N=C=S SB01971 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.21 CC1=CC=C(B(O)O)C=C1C AC35928 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.21 NC1=CC(B(O)O)=CC=C1F NP44529 [0,2,0,0,0,0|0,0,0]=2 83 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [0,1,0,1,0,0|2,0,0]=4