0 B10R1.10 CNCC1=CC(Br)=CN=C1 CC67146 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 CNCC1=CC(Cl)=NC=C1 CC53646 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.10 S=C=NC1=CC(Cl)=CC=C1 TL00490 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 N#CC1=CC(Br)=CN=C1 KM08398 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.23 NNC(=O)C1=CC(Br)=CN=C1 RDP00027 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,1,0,0,0,0|1,1,1]=4 20 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 SB01685 [0,1,0,0,0,0|0,1,2]=4 21 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CC05910 [0,0,0,1,0,0|1,0,2]=4 22 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CC45910 [0,0,0,1,0,0|1,0,1]=3 23 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [0,0,0,1,0,0|1,0,2]=4 24 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,0,0,1,0,0|1,0,0]=2 25 B11R2.36 BrC1=CC2=NON=C2C=C1 CC09710 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.36 BrC1=CC2=NSN=C2C=C1 CC09210 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [0,0,0,1,0,0|1,1,1]=4 28 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.106 BrC1=CC=CC2=C1NC=C2 MO00800 [0,0,0,1,0,0|0,0,2]=3 30 B11R2.106 BrC1=CC=CC2=C1OC=C2 MAY00313 [0,0,0,1,0,0|1,0,2]=4 31 B11R2.106 BrC1=CC=CC2=C1OCO2 CC01710 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.106 BrC1=CC=CC2=C1SC=C2 CC29410 [0,0,0,1,0,0|1,0,2]=4 33 B11R2.106 BrC1=CC=CC2=NSN=C12 CC09110 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [0,0,0,1,0,0|1,1,0]=3 35 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.7 CC1=NC(CCN)=CS1 CC54613 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.33 CNCC1=C(Br)OC=C1 CC64796 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.33 CNCC1=C(Br)SC=C1 CC56646 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.33 CNCC1=CSC=C1Br CC54296 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [2,0,0,0,0,0|1,1,0]=4 42 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.2 FC1=C(CBr)C=CC=C1Br MAY00216 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 SPB00444 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.8 FC1=CC(F)=CC(CBr)=C1 SB01686 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 SPB00433 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [1,1,0,0,0,0|0,1,0]=3 52 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SPB01327 [0,2,0,0,0,0|0,1,1]=4 59 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 SB01607 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.119 O=S(=O)(Cl)CC1=CC(Br)=CC=C1 MO07946 [0,2,0,0,0,0|2,0,0]=4 61 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CC32810 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 CC60810 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.24 NC1=CC=C2OCOCC2=C1 SEW03598 [0,1,0,1,0,0|2,0,0]=4 65 B12R2.203 CN1C=CC2=C1C(Br)=CC=C2 CC66910 [0,1,0,1,0,0|0,0,2]=4 66 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 CC41410 [0,1,0,1,0,0|0,0,2]=4 67 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 CC58710 [0,1,0,1,0,0|0,0,0]=2 68 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,1,0,1,0,0|0,0,1]=3 70 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,1,0,1,0,0|1,0,1]=4 71 B12R2.44 NCC1=CC=C2OCCC2=C1 CC00813 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CC00804 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.315 O=CC1=CC=CC2=C1OCC2 CC00904 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.1 CC1=CC=C(CN)S1 CC65063 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.1 CC1=CSC(CN)=C1 CC30613 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.1 OCC1=CC(Br)=CS1 CC28509 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.11 CC1=C(CN)OC=C1 CC55513 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.11 CN1C=CC=C1CN CC02713 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.11 NCC1=C(Br)SC=C1 SPB08448 [1,0,0,0,1,0|1,0,0]=3 80 B8R1.11 OCC1=CSC=C1Br CC54209 [1,0,0,0,1,0|2,0,0]=4