0 B10R1.10 CNCC1=CC(Br)=CN=C1 CC67146 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.10 CNCC1=CC(Cl)=NC=C1 CC53646 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.10 S=C=NC1=CC(Cl)=CC=C1 TL00490 [0,0,0,0,0,0|2,0,1]=3 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|0,1,0]=2 6 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,0,0,0,0,0|1,0,0]=2 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|2,1,0]=4 9 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.13 CC1=C(N=C=S)C=CC=C1Cl TL00697 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.13 S=C=NC1=C(Cl)C(Cl)=CC=C1 SB01755 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 CC53605 [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 B11R1.182 FC1=CC=C(Cl)C=C1N=C=S SB01971 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.182 S=C=NC1=CC(Cl)=CC=C1Cl SB01698 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.192 S=C=NC1=CC(Cl)=C(Cl)C=C1 SB01665 [0,1,0,0,0,0|2,0,1]=4 24 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CC45910 [0,0,0,1,0,0|1,1,1]=4 25 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,0,0,1,0,0|1,1,0]=3 26 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [0,0,0,1,0,0|1,1,1]=4 27 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.106 BrC1=CC=CC2=C1NC=C2 MO00800 [0,0,0,1,0,0|0,1,2]=4 29 B11R2.106 BrC1=CC=CC2=C1OCO2 CC01710 [0,0,0,1,0,0|2,1,0]=4 30 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [0,0,0,1,0,0|1,1,0]=3 31 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.7 CC1=NC(CCN)=CS1 CC54613 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.4 CC1=CC(Cl)=NC=N1 NP45412 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [2,0,0,0,0,0|1,1,0]=4 37 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.2 FC1=C(CBr)C=CC=C1Br MAY00216 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 SPB00444 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.8 ClCC1=CC(Cl)=NC(Cl)=C1 MO00840 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.8 FC1=CC(F)=CC(CBr)=C1 SB01686 [1,1,0,0,0,0|1,1,0]=4 43 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 SPB00433 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.8 OCC1=CC(Cl)=NC(Cl)=C1 RF01034 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl DP01309 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [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|0,0,0]=2 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 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 KM01406 [0,2,0,0,0,0|0,0,2]=4 59 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 TL00894 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.367 NNC(=O)C1=CC(Cl)=C(Cl)C=C1 TL00776 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SPB01327 [0,2,0,0,0,0|0,0,1]=3 62 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 SB01607 [0,2,0,0,0,0|2,0,0]=4 63 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CC32810 [0,1,0,1,0,0|1,1,0]=4 65 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 CC60810 [0,1,0,1,0,0|1,1,0]=4 66 B12R2.24 NC1=CC=C2OCOCC2=C1 SEW03598 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 CC58710 [0,1,0,1,0,0|0,1,0]=3 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 NC1=NC2=CC=C(Cl)C=C2S1 BTB04800 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,1,0,1,0,0|0,1,1]=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 B8R1.11 CC1=C(CN)OC=C1 CC55513 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.11 CN1C=CC=C1CN CC02713 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.11 NCC1=C(Br)SC=C1 SPB08448 [1,0,0,0,1,0|1,1,0]=4