0 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.5 CC1=CN=NC=C1N P18597 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.5 NC1=C(Cl)C=CN=N1 D95227 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.5 NC1=CC=NNC1=O 36341 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.5 NC1=CC=NNC1=S P12544 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.3 CC1=C(Cl)C=NN=C1Cl AC9348 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.3 CC1=C(Cl)C=NNC1=O P16123 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.3 FC1=C(Cl)C=CN=C1Br Y10117 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [0,1,0,0,0,0|1,1,0]=3 17 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,1,0,0,0,0|1,1,0]=3 19 B9R1.3 NC1=CN=CC(Cl)=C1Br AT12831 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.3 O=C1C(O)=CNC=C1F P16035 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.3 O=C1NC=CC(I)=C1F AC9810 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,1,0,0,0,0|1,0,1]=3 29 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 OCC1=C(Br)C=NC=N1 AC8251 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.69 CC1=C(Cl)N=CC(Br)=N1 C14197 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.69 CC1=NC(Cl)=CNC1=O F11838 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.69 CN1C=C(O)C=CC1=O P17267 [0,1,0,0,0,0|1,0,1]=3 44 B9R1.69 CN1C=NC(Br)=CC1=O AC9854 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.69 CN1C=NC(N)=CC1=O CS2007 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.69 CN1N=CC(N)=CC1=O P12529 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.69 FC1=C(F)N=C(Br)C=C1 P12799 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 C71766 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.69 FC1=CC(I)=NC=C1Br P20686 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.69 FC1=CC=C(Br)C(I)=N1 D96928 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 NC1=C(F)C=CC(Cl)=N1 C90958 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.69 NC1=C(N)N=C(O)C=C1 79599 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [0,1,0,0,0,0|1,1,0]=3 54 B9R1.69 NC1=CC=C(F)N=C1I D96603 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.69 NC1=NN=C(Cl)C=C1O D76057 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.69 OC1=C(F)C=CC(Cl)=N1 CS2298 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.69 OC1=C(I)C=CC(Br)=N1 AC4863 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,0,1,0|1,0,2]=4 60 B7R1.4 ClC1=C(I)SC=C1 P18106 [0,0,0,0,1,0|3,0,0]=4 61 B7R1.4 FC1=CNC=C1F P18993 [0,0,0,0,1,0|3,0,0]=4 62 B6R0.3 C=CC(=O)C(=O)O AC9460 [1,0,1,0,0,0|2,0,0]=4 63 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,1,0,0,0,0|1,0,1]=4 64 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,0,1,0|2,0,0]=4 66 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.2 CC1=C(C#N)C=CN=C1Cl C10674 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [0,2,0,0,0,0|1,0,1]=4 69 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.2 CN1C(=O)C=CC=C1C=O AT19298 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,2,0,0,0,0|0,0,0]=2 80 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.22 CC1=C(Cl)C=C(Cl)C=C1N AC8599 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 C11267 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.22 CC1=NC(Cl)=CC(Br)=C1N D96573 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.22 CN1C(=O)C=C(Br)C=C1Cl AC8785 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.22 CN1C=C(I)C=C(Cl)C1=O P15202 [0,2,0,0,0,0|1,0,1]=4 89 B10R1.22 OC1=CC(F)=CC(Br)=C1F D96236 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.119 BrC1=C(Br)C(Br)=C(I)C=C1 AT25272 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,2,0,0,0,0|0,0,0]=2 92 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.119 CC1=CN=C(N)C(C)=C1C D80400 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.119 CN1C=CC(I)=C(F)C1=O AC8182 [0,2,0,0,0,0|1,0,1]=4 98 B10R1.119 NC1=C(F)C=CC(Br)=C1N AC4832 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.119 NC1=CC=C(Cl)C(Br)=C1Cl I11650 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1N W19346 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.119 NC1=CC=C(F)C(Cl)=C1N 79668 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.119 OC1=C(F)C=CC(Br)=C1O Y14674 [0,2,0,0,0,0|1,0,0]=3 103 B10R1.245 C=CC1=C(Cl)C=CN=C1O P18283 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,2,0,0,0,0|0,0,1]=3 105 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.245 CC1=CN=CC(C)=C1CO 51705 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,2,0,0,0,0|0,0,1]=3 110 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,2,0,0,0,0|0,0,1]=3 111 B10R1.245 N#CC1=C(O)C=CN=C1Br W13343 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.20 COC1=C(CCl)C=CN=N1 F30442 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.20 COC1=NC=NC=C1CO F30437 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.20 COC1=NN=CC=C1CO F30441 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,2,0,0,0,0|0,0,1]=3 119 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.25 N#CC1=NC=C(Cl)C=C1O CS3060 [0,2,0,0,0,0|1,0,1]=4 122 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.30 CSC1=CC(F)=CN=C1Br D79793 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.30 ClCC1=CC(Cl)=CN=C1Br C71880 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,2,0,0,0,0|0,0,0]=2 136 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [0,2,0,0,0,0|1,0,1]=4 138 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.61 CC1=C(C(=O)O)C=NN=C1 37530 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,2,0,0,0,0|0,0,0]=2 144 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.118 CC1=C(Br)C=C(O)C(N)=C1 79590 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.118 CC1=CC(=O)N(C)C=C1Br AC9836 [0,2,0,0,0,0|1,0,1]=4 147 B10R1.118 CC1=CC(I)=C(N)C=C1Br AT14614 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.118 CC1=CC(N)=C(C)N=C1Cl 79484 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.118 CC1=CC(O)=C(Cl)C=C1O A11096 [0,2,0,0,0,0|0,0,0]=2 150 B10R1.118 CN1C=C(F)C(Br)=CC1=O AC9530 [0,2,0,0,0,0|1,0,1]=4 151 B10R1.118 NC1=C(Br)C=C(O)C(F)=C1 D80092 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.176 CC1=C(Br)C=C(C#N)N=C1 C72414 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.176 CSC1=NC(O)=C(C)C=N1 AC9786 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,2,0,0,0,0|1,0,0]=3 160 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,0,1,1,0,0|1,0,1]=4 161 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4