0 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 OCC1=C(Br)C=NC=N1 AC8251 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.5 CC1=CN=NC=C1N P18597 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,1,0,0,0,0|1,1,0]=3 22 B10R1.4 CCNC1=C(Br)C=CN=N1 79171 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,1,0,0,0,0|2,1,0]=4 25 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 D72178 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.30 CSC1=CC(F)=CN=C1Br D79793 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.30 ClCC1=CC(Cl)=CN=C1Br C71880 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,1,0,0,0,0|1,1,0]=3 43 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,1,0,0,0,0|0,1,0]=2 49 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.245 CC1=CN=CC(C)=C1CO 51705 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,1,0,0,0,0|1,1,1]=4 56 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,1,0,0,0,0|1,1,1]=4 57 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.11 CCN1N=CC=C1O AT26527 [0,0,0,0,1,0|2,1,0]=4 59 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.8 CCNC1=CC=CN=N1 79166 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.8 NNCC1=CC=NC=C1 78931 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [1,1,0,0,0,0|1,1,0]=4 74 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.3 CC1=NC=CC(N)=C1F C73011 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.3 NC1=CC=CC(O)=C1I 79304 [1,1,0,0,0,0|1,1,0]=4 79 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.69 CC1=CC=C(F)N=C1Br C71759 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.69 CN1C=C(O)C=CC1=O P17267 [1,1,0,0,0,0|1,1,0]=4 85 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [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|0,1,0]=3 87 B11R1.72 COC1=C(N)C=CC(Br)=C1F AT10284 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.159 CC(C)C1=CC=CC(F)=C1N W13839 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F Y11583 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.265 OCC1=CC=CC(Br)=C1CO 97055 [0,2,0,0,0,0|1,1,0]=4 92 B11R1.267 COC1=C(Cl)C(CN)=CC=C1 78920 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.267 COC1=C(F)C(CO)=CC=C1 W18563 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.278 CCN1C=CC(=O)C(O)=C1C 79576 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.278 COC1=C(N)C(C)=C(Br)C=C1 68945 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.605 N#CCC1=C(Br)C=CC=C1Cl 56066 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [0,2,0,0,0,0|1,1,0]=4 101 B11R1.37 CSC1=CC(C)=CN=C1CCl 79441 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.37 N#CC1=C(CN)C=CC(Cl)=C1 C90576 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12202 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y14118 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20175 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=N1 BL010218 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11759 [0,2,0,0,0,0|0,1,0]=3 108 B11R1.166 C[C@H](N)C1=C(O)C=C(F)C=C1 Y11760 [0,2,0,0,0,0|0,1,0]=3 109 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.277 COC1=CC(=O)C(C)=CC1=O A10831 [0,2,0,0,0,0|1,1,0]=4 111 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [0,2,0,0,0,0|0,1,0]=3 118 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [0,2,0,0,0,0|0,1,0]=3 119 B11R1.167 C[C@H](O)C1=CC(Cl)=CN=C1F D79305 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.87 CC(C)(C)C1=NC=CC=C1N W16124 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.156 CC1=CC=CC(Cl)=C1[C@H](C)N Y11567 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13258 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F Y13280 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.156 C[C@H](N)C1=C(Cl)C=NC=C1Cl Y12845 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.156 C[C@H](N)C1=C(F)C=NC=C1F Y14128 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.156 C[C@H](N)C1=C(F)C=NC=C1F Y14129 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.156 C[C@H](N)C1=C(F)C=NC=C1F Y14198 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.156 C[C@H](O)C1=C(Cl)C=NC=C1Cl F52516 [0,2,0,0,0,0|2,0,0]=4 129 B11R2.106 BrC1=C2CCNC2=CN=C1 P18819 [0,1,0,1,0,0|2,0,0]=4 130 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [0,1,0,1,0,0|2,0,0]=4 131 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [0,1,0,1,0,0|1,0,0]=3 132 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [0,1,0,1,0,0|1,0,1]=4 133 B11R2.106 ClC1=NC=CC2=C1NCC2 P18820 [0,1,0,1,0,0|2,0,0]=4 134 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [0,1,0,1,0,0|0,1,0]=3 135 B11R2.106 NC1=C2CC=CC2=CC=C1 C14577 [0,1,0,1,0,0|1,0,1]=4 136 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [0,1,0,1,0,0|0,1,0]=3 137 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [0,1,0,1,0,0|0,1,0]=3 138 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.55 ClC1=C(C2CC2)C=NC=C1 N13247 [0,1,0,1,0,0|2,0,0]=4 141 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,1,0,1,0,0|1,0,0]=3 142 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,1,0,1,0,0|0,1,0]=3 143 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,1,0,1,0,0|0,1,0]=3 144 B11R2.1 N[C@H]1COC2=NC=CC=C21 C16545 [0,1,0,1,0,0|1,1,0]=4 145 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,1,0,1,0,0|1,1,0]=4 146 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,1,0,1,0,0|0,1,0]=3 147 B11R2.36 BrC1=CN=C2CCNC2=C1 P19003 [0,1,0,1,0,0|2,0,0]=4 148 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [0,1,0,1,0,0|1,0,1]=4 149 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [0,1,0,1,0,0|1,0,1]=4 150 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [0,1,0,1,0,0|0,0,2]=4 151 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [0,1,0,1,0,0|1,1,0]=4 152 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [0,1,0,1,0,0|2,0,0]=4