0 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 COC1=CC=CN=C1N NP45374 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 COC1=NC=CC=C1N SPB07839 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.81 CC1=CC=C(N=C=S)C(C)=C1 SB01620 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SB01749 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,1,0,0,0,0|3,0,0]=4 35 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [0,0,0,1,0,0|1,0,2]=4 36 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,0,0,1,0,0|1,0,0]=2 37 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [0,0,0,1,0,0|1,0,2]=4 38 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.5 CC1=CC=CNC1=O CD09405 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.3 COC1=CC=C(C#N)C=N1 SPB04785 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [1,1,0,0,0,0|0,1,0]=3 53 B10R1.22 CC1=C(N)C(N)=CC(Br)=C1 MO07383 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.22 CC1=C(O)C(Cl)=CC(Br)=C1 SB01216 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.22 CC1=CC(I)=CC(C)=C1O RDP00223 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 TL00770 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.118 CC1=CC(I)=C(C)C=C1I BTB13663 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.118 CC1=CC(N)=C(C)C=C1Cl MAY00162 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 SB00910 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.268 COC1=CC=C(Cl)C=C1N=C=S SB01657 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.448 CC1=C(C)C=C(CCl)C(CCl)=C1 BTB00413 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.450 COC1=CC(C)=C(OC)C=C1I RH01788 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.450 COC1=CC(F)=C(C=O)C=C1F MAY00189 [0,2,0,0,0,0|1,0,1]=4 67 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CC32810 [0,1,0,1,0,0|1,0,0]=3 69 B12R2.24 NC1=CC=C2OCOCC2=C1 SEW03598 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 CC58710 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.246 CC1=CC2=C(OC=C2)C(Br)=C1 MAY00316 [0,1,0,1,0,0|0,0,2]=4 73 B12R2.44 NCC1=CC=C2OCCC2=C1 CC00813 [0,1,0,1,0,0|0,0,0]=2 74 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CC00804 [0,1,0,1,0,0|0,0,1]=3 75 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 CC07109 [0,1,0,1,0,0|0,0,2]=4