0 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.3 FC1=C(Cl)C=CN=C1Br Y10117 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.3 NC1=CN=CC(Cl)=C1Br AT12831 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.3 O=C1C(O)=CNC=C1F P16035 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.3 O=C1NC=CC(I)=C1F AC9810 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 CC1=CN=NC=C1N P18597 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,1,0,0,0,0|1,0,0]=2 30 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.22 CC1=C(Cl)C=C(Cl)C=C1N AC8599 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 C11267 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.22 CC1=NC(Cl)=CC(Br)=C1N D96573 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.22 CC1=NC(Cl)=NC(C)=C1F AC8759 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.22 CN1C=C(I)C=C(Cl)C1=O P15202 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.22 OC1=CC(F)=CC(Br)=C1F D96236 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.119 BrC1=C(Br)C(Br)=C(I)C=C1 AT25272 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.119 CC1=CN=C(N)C(C)=C1C D80400 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.119 CN1C=CC(I)=C(F)C1=O AC8182 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.119 NC1=C(F)C=CC(Br)=C1N AC4832 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.119 NC1=CC=C(Cl)C(Br)=C1Cl I11650 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1N W19346 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.119 NC1=CC=C(F)C(Cl)=C1N 79668 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.119 OC1=C(F)C=CC(Br)=C1O Y14674 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,1,0,0,0,0|1,0,1]=3 54 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.245 CC1=CN=CC(C)=C1CO 51705 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [1,1,0,0,0,0|1,0,0]=3 75 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.69 CN1C=C(O)C=CC1=O P17267 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.72 CC1=C(Br)C=CC(Br)=C1C=O D85952 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.72 COC1=C(N)C=CC(Br)=C1F AT10284 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.159 CC(C)C1=CC=CC(F)=C1N W13839 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F Y11583 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.265 OCC1=CC=CC(Br)=C1CO 97055 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.267 COC1=C(F)C(CO)=CC=C1 W18563 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.267 N#CC1=CC=CC(C=O)=C1O Y14731 [0,2,0,0,0,0|0,0,2]=4 96 B11R1.278 CCN1C=CC(=O)C(O)=C1C 79576 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.278 COC1=C(N)C(C)=C(Br)C=C1 68945 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.278 COC1=NC=C(C)C(N)=C1C P19442 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.278 O=CC1=C(O)C(F)=C(Br)C=C1 F53695 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.14 COC1=NC(C)=C(O)C(C)=N1 P19909 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.32 OC1=C(I)C=C(I)C(O)=C1I D96030 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.464 CC1=CC(Br)=CC(O)=C1C=O C72676 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.156 CC1=CC=CC(Cl)=C1[C@H](C)N Y11567 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.156 CC1=CN=CC(C)=C1C(=O)O 35388 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.156 OB(O)C1=C(O)C=CC=C1O 24193 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,0,1,1,0,0|2,0,0]=4 107 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [0,1,0,1,0,0|1,0,0]=3 108 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [0,1,0,1,0,0|2,0,0]=4 109 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [0,1,0,1,0,0|1,0,0]=3 110 B11R2.106 NC1=C2OC=NC2=CC=C1 O11690 [0,1,0,1,0,0|1,0,1]=4 111 B11R2.106 NC1=C2ON=CC2=CC=C1 O11689 [0,1,0,1,0,0|1,0,1]=4 112 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [0,1,0,1,0,0|2,0,0]=4 113 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [0,1,0,1,0,0|2,0,0]=4