0 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 CN1C=C(O)C=CC1=O P17267 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 FC1=C(F)N=C(Br)C=C1 P12799 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 C71766 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.69 FC1=CC(I)=NC=C1Br P20686 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.69 FC1=CC=C(Br)C(I)=N1 D96928 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.69 NC1=C(F)C=CC(Cl)=N1 C90958 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.69 NC1=C(N)N=C(O)C=C1 79599 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.69 NC1=CC(Cl)=NN=C1N C77192 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 NC1=CC=C(F)N=C1I D96603 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 OC1=C(F)C=CC(Cl)=N1 CS2298 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.69 OC1=C(I)C=CC(Br)=N1 AC4863 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [0,0,0,0,0,0|3,1,0]=4 20 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.3 FC1=NN=C(Cl)C=C1 O10986 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,0,0,0,0,0|1,1,1]=4 23 B8R1.4 NC1=CC(=O)NN=C1 20219 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.4 NC1=CC(Br)=CN=N1 P21037 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.4 NC1=NC=CC(F)=N1 P12222 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.5 CC1=CN=NC=C1N P18597 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.5 NC1=C(Cl)C=CN=N1 D95227 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.5 NC1=CC=NNC1=O 36341 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.5 NC1=CC=NNC1=S P12544 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.22 CC1=C(Cl)C=C(Cl)C=C1N AC8599 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,1,0,0,0,0|2,1,0]=4 34 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.22 OC1=CC(F)=CC(Br)=C1F D96236 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.25 N#CC1=C(Br)C=C(O)C=N1 D83960 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,1,0,0,0,0|2,1,0]=4 41 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.118 CC1=C(Br)C=C(O)C(N)=C1 79590 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.118 CC1=CC(I)=C(N)C=C1Br AT14614 [0,1,0,0,0,0|1,1,0]=3 47 B10R1.118 CC1=CC(N)=C(C)N=C1Cl 79484 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.118 CC1=CC(O)=C(Cl)C=C1O A11096 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.118 CN1C=C(F)C(Br)=CC1=O AC9530 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.118 NC1=C(Br)C=C(O)C(F)=C1 D80092 [0,1,0,0,0,0|1,1,0]=3 51 B10R1.119 BrC1=C(Br)C(Br)=C(I)C=C1 AT25272 [0,1,0,0,0,0|2,1,0]=4 52 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.119 NC1=C(F)C=CC(Br)=C1N AC4832 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.119 NC1=CC=C(Cl)C(Br)=C1Cl I11650 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1N W19346 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.119 NC1=CC=C(F)C(Cl)=C1N 79668 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.119 OC1=C(F)C=CC(Br)=C1O Y14674 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [0,1,0,0,0,0|2,1,0]=4 66 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.176 FC1=C(Br)C=C(CCl)C=N1 C71877 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.176 N#CC1=CC(N)=C(Br)C=N1 37634 [0,1,0,0,0,0|2,1,0]=4 70 B10R1.176 N#CC1=NC(N)=C(Br)C=C1 P19357 [0,1,0,0,0,0|2,1,0]=4 71 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.3 CC1=NC=CC(N)=C1F C73011 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.3 NC1=CC=CC(O)=C1I 79304 [1,1,0,0,0,0|0,0,0]=2 83 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [1,1,0,0,0,0|0,1,0]=3 84 B9R1.3 NC1=CN=CC(Cl)=C1Br AT12831 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.3 O=C1C(O)=CNC=C1F P16035 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.34 NC1=CC(Br)=CC(Br)=N1 N13242 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.34 NC1=CC(Cl)=CC(Br)=N1 C71706 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [1,1,0,0,0,0|1,1,0]=4 94 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [1,1,0,0,0,0|1,1,0]=4 96 B11R1.8 CC1=CC(C#N)=C(C)C(N)=C1 C77067 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.32 OC1=C(I)C=C(I)C(O)=C1I D96030 [0,2,0,0,0,0|1,1,0]=4 98 B11R1.464 N#CC1=C(Br)C=C(O)C=C1Br 97435 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.464 NC1=CC(Br)=CC(F)=C1C=O 53935 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [0,2,0,0,0,0|1,1,0]=4 101 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.277 N#CC1=CC(Cl)=C(Cl)C=C1F C90835 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.277 N#CC1=CC(F)=C(Br)C=C1O CL9666 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.277 O=CC1=CC(Br)=C(Br)C=C1F FD10643 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.277 O=CC1=CC(Cl)=C(Cl)C=C1F C90875 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.278 COC1=C(N)C(C)=C(Br)C=C1 68945 [0,2,0,0,0,0|1,1,0]=4 107 B11R1.278 COC1=NC=C(C)C(N)=C1C P19442 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 D74727 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [0,2,0,0,0,0|2,0,0]=4 117 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [0,1,0,1,0,0|2,0,0]=4 118 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.2 FC1=CSC(Br)=C1 T70774 [1,0,0,0,1,0|2,0,0]=4