0 B9R1.15 C#CC1=NC=CC=C1N AT26714 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CC1=C(CCl)C=CN=N1 F30532 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CC1=C(CCl)C=NN=C1 F30428 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=C(CN)C=CN=N1 F50140 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=C(CO)C=NN=C1 F30427 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=CC=NN=C1C=O AT10310 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=CC=NN=C1CCl F50901 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CC1=CC=NN=C1CO F50171 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 CC1=CN=NC=C1CN P12550 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CC1=NC=NC=C1CN F31022 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.15 CNC1=C(Br)C=CN=N1 79169 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 COC1=C(N)N=NC=C1 D86048 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 COC1=CN=CN=C1Br D88097 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 COC1=NN=CC=C1N D74369 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 N#CC1=C(F)C=CN=C1 C14105 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 N#CC1=C(S)C=CC=N1 AT16200 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 NCC1=CC=CNC1=O D76881 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 CCC1=NC=CC=N1 D86044 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.5 CC1=C(N)C=CN=N1 F13599 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.5 CC1=C(N)C=CN=N1 F13600 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.5 CC1=CN=NC=C1N P19176 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.5 CN1C=CC=NC1=O AT19342 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.5 CN1C=NC=CC1=O D77055 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,0,0,0,0,0|2,1,0]=4 31 B8R1.5 O=C1OC=CC=C1Br AC1746 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.2 C#CC1=C(F)C(C)=CC=C1 AT26741 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.2 C#CC1=CC=CC(F)=C1Br AT26750 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.2 CC1=C(N)C=CN=C1CO D86040 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.2 CCC1=CN=CC(F)=C1N 93261 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.2 CCN1C=CC=C(O)C1=O AT19248 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.2 COC1=C(Cl)C(Br)=NC=N1 AT18434 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.2 COC1=C(I)C(N)=CN=C1 D74406 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.2 N#CC1=CC=CC(S)=C1Cl AT20901 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.2 N#CC1=CC=CC(S)=C1F AT20898 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.2 NNC1=CC=CC(F)=C1Br AT23940 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.4 COCC1=NC=CN=C1Cl N13228 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.20 C#CC1=C(OC)C=CC=N1 A10754 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [0,1,0,0,0,0|1,0,1]=3 54 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.20 COC1=C(C=O)C=NC=N1 AT18299 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.20 COC1=C(CCl)C=NC=N1 F30438 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.20 COC1=NC=CN=C1CN D77026 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.20 COC1=NC=NN=C1CN P12537 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.20 COC1=NN=CC=C1CN F30455 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.25 COC1=C(Cl)N=C(Br)N=C1 73469 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.25 COC1=NC=C(C)C=C1O D74379 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [0,1,0,0,0,0|1,1,0]=3 69 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.30 CCC1=C(Br)C=CC(N)=N1 AT24914 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.30 COC1=C(Br)C=NC(I)=N1 AT15563 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.30 COC1=C(F)C=CC(F)=N1 AT14289 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.30 COC1=C(N)C=CC(I)=N1 AT11695 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [0,1,0,0,0,0|0,1,0]=2 80 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [0,1,0,0,0,0|1,1,0]=3 81 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [0,1,0,0,0,0|1,1,0]=3 82 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.61 CN(C)C1=C(O)C=NC=C1 AT23568 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.245 C#CC1=C(Br)C=CC=C1Br AT26842 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.245 CC1=CN=CC(F)=C1C#N AT25458 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.245 CC1=CN=CC(F)=C1C=O AT23108 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.245 CC1=CN=CC(F)=C1CN AT25470 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.245 CC1=CN=CC(F)=C1CO AT23874 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.245 COC1=C(Br)C=CN=C1Br D76094 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.245 COC1=C(Br)C=CN=C1Cl D76095 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [0,1,0,0,0,0|1,1,0]=3 98 B10R1.245 O=CC1=C(I)C=CC=C1I AT18530 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.245 [C-]#[N+]C1=C(C)N=CC=C1C D84799 [0,1,0,0,0,0|2,0,1]=4 101 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [0,0,0,1,0,0|0,1,2]=4 102 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [0,0,0,1,0,0|1,0,0]=2 103 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [0,0,0,1,0,0|1,0,2]=4 104 B10R2.7 C1=CC2=C(N=N1)NCC2 93646 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.11 COC1=C(Br)C=NO1 AT19729 [0,0,0,0,1,0|3,0,0]=4 106 B8R1.11 COC1=NSC=C1Br AT11774 [0,0,0,0,1,0|3,0,0]=4 107 B8R1.11 COC1=NSC=C1I AT11788 [0,0,0,0,1,0|3,0,0]=4 108 B8R1.11 COC1=NSC=C1N AT11779 [0,0,0,0,1,0|3,0,0]=4 109 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|1,1,0]=4 110 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.2 COC1=NN=CC(N)=C1 AC8536 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.2 COC1=N[N+]([O-])=CC=C1 D74921 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,1,0,0,0,0|1,0,1]=4 115 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,1,0,0,0,0|1,0,0]=3 118 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,1,0,0,0,0|1,0,0]=3 119 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,1,0,0,0,0|1,0,1]=4 121 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.3 CC1=C(F)C=NC=C1N AT11608 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.3 CC1=CC=CC(O)=C1S D87757 [1,1,0,0,0,0|0,1,0]=3 124 B9R1.3 CC1=CC=CC(S)=C1Cl AT20810 [1,1,0,0,0,0|1,0,0]=3 125 B9R1.3 CC1=NC=CC(O)=C1N D75564 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.3 CN1C(=O)C=CC=C1N AT19287 [1,1,0,0,0,0|1,0,1]=4 127 B9R1.3 NC1=CC=CC(I)=C1F AT12784 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.3 O=C1NC=CC(O)=C1Br D87597 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.3 OC1=C(Br)C=CC=C1S AT20877 [1,1,0,0,0,0|1,0,0]=3 130 B9R1.3 OC1=C(I)C=CN=C1F AT19123 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.3 OC1=CN=CC(Cl)=C1I D73511 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.3 OC1=NC=CC(Br)=C1Cl AT12833 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.3 SC1=C(Br)C=CC=C1Cl AT20840 [1,1,0,0,0,0|1,1,0]=4 134 B9R1.3 [2H]C1=CC=CC([2H])=C1[2H] D97879 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.3 [BH3-]C1=C(F)C=CC=C1N AC9155 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.3 [BH3-]C1=CC=CN(C)C1=O AC8669 [1,1,0,0,0,0|1,0,1]=4 137 B9R1.69 CC1=C(N)N=C(Cl)C=C1 AT18493 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.69 CC1=C(O)C=NC(Br)=N1 AT22354 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.69 CC1=CN=C(Br)C=C1C AC6563 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.69 NC1=NC(O)=C(Cl)C=C1 AT18216 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.69 OC1=C(F)N=C(I)C=C1 AT19125 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [1,1,0,0,0,0|1,1,0]=4 146 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.14 COC1=CSC=C1CN C92311 [0,1,0,0,1,0|1,0,0]=3 149 B11R1.497 CC(C)C1=CC(=O)C=CC=C1 D72296 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.8 CC1=CC(Br)=C(C)C(CO)=C1 AT21291 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.8 CNC1=C(N)C(C)=CC(Br)=C1 AT24316 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.8 CNC1=CC(Br)=CC(F)=C1N AT21479 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.8 COC1=C(Cl)C(C)=CC(Br)=C1 AT17651 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.8 COC1=C(F)C(C)=CC(N)=C1 D96231 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.8 COC1=CC(Br)=CC(Cl)=C1Cl AT17654 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.8 COC1=CC(F)=CC(F)=C1Br AC9852 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.72 CC1=C(F)C=CC(F)=C1C#N D96181 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.72 CC1=C(N)C=CC(Br)=C1C#N 51689 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.72 COC1=C(Br)C=CC(N)=C1N D75051 [0,2,0,0,0,0|1,0,0]=3 160 B11R1.159 CC(C)C1=CC=CC(F)=C1O AT20236 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Br C92031 [0,2,0,0,0,0|2,0,0]=4 162 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Br C92054 [0,2,0,0,0,0|2,0,0]=4 163 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Br C92033 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Br C92052 [0,2,0,0,0,0|2,0,0]=4 165 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11383 [0,2,0,0,0,0|2,0,0]=4 166 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11384 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1O AT22639 [0,2,0,0,0,0|2,0,0]=4 168 B11R1.265 CCC1=C(Br)C=CC=C1OC W15772 [0,2,0,0,0,0|0,0,0]=2 169 B11R1.265 COC1=C(N)C=CC=C1C#N AT10652 [0,2,0,0,0,0|0,0,1]=3 170 B11R1.265 COC1=NC=CC(F)=C1C#N P15135 [0,2,0,0,0,0|1,0,1]=4 171 B11R1.265 COC1=NC=CC(I)=C1OC D74372 [0,2,0,0,0,0|1,0,0]=3 172 B11R1.265 N#CC1=C(Br)C=CC=C1CO 55995 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.265 N#CC1=C(F)C=CC=C1CO AT25430 [0,2,0,0,0,0|2,0,0]=4 174 B11R1.267 COC1=C(C)C(CCl)=NC=N1 86960 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.267 COC1=C(I)C(C#N)=CN=C1 D74402 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.278 CC1=C(C=O)C=CC(Br)=C1F 97128 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.278 CC1=C(C=O)C=CC(O)=C1Cl D96245 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.278 CC1=C(N)C=CC(CO)=C1C AT26540 [0,2,0,0,0,0|2,0,0]=4 179 B11R1.278 CNC1=C(N)C(C)=C(Br)C=C1 AT24315 [0,2,0,0,0,0|2,0,0]=4 180 B11R1.278 COC1=C(C)C(N)=C(N)C=C1 F51130 [0,2,0,0,0,0|0,0,0]=2 181 B11R1.278 COC1=CC=C(Cl)C(Cl)=C1Br AT26786 [0,2,0,0,0,0|1,0,0]=3 182 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [0,2,0,0,0,0|1,0,0]=3 183 B11R1.41 C#CC1=C(CC#N)C=CC=C1 C91138 [0,2,0,0,0,0|1,0,1]=4 184 B11R1.41 COCC1=C(CO)C=CC=C1 C16099 [0,2,0,0,0,0|0,0,0]=2 185 B11R1.81 FC1=C(CCBr)C=CC(Br)=C1 AC8494 [0,2,0,0,0,0|2,0,0]=4 186 B11R1.86 FC(F)OC1=C(Br)C=CN=C1 AT26496 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.86 FC(F)OC1=C(I)C=CC=N1 AT13003 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [0,2,0,0,0,0|1,0,0]=3 189 B11R1.182 CCOC1=CC(N)=CN=C1Br 23877 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.222 COC(=O)C1=NN=CC=C1C F51619 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.605 NC1=CC=CC(Br)=C1CCO AT22850 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.37 C#CC1=C(OC)C=CC(N)=C1 AT26781 [0,2,0,0,0,0|0,0,1]=3 197 B11R1.37 CCC1=C(C=O)C=C(O)C=C1 C91311 [0,2,0,0,0,0|1,0,1]=4 198 B11R1.37 COC1=C(C#N)N=C(Cl)C=C1 AT10101 [0,2,0,0,0,0|1,0,1]=4 199 B11R1.37 COC1=C(C=O)C=C(C)C=N1 D74457 [0,2,0,0,0,0|1,0,1]=4 200 B11R1.37 COC1=C(OC)N=C(Br)N=C1 D75780 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.37 COC1=CC(Br)=NC=C1C=O D76576 [0,2,0,0,0,0|1,0,1]=4 202 B11R1.37 COC1=CC(Cl)=NN=C1OC D76254 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.37 COC1=NC=C(Br)C=C1CN Y14112 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.37 NCC1=C(CO)C=C(Cl)C=C1 P16919 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 N14391 [0,2,0,0,0,0|1,0,0]=3 206 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y12531 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91974 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91977 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92027 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92048 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Br)C=C1 D96375 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.277 CC1=CC(Cl)=C(O)C=C1C#N F52469 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.277 CC1=CC(F)=C(Br)C=C1CBr D96270 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.277 COC1=C(Br)C=C(O)C(C)=C1 AC9292 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.277 COC1=C(I)C=C(Cl)C(F)=C1 AT17645 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.277 COC1=C(I)C=C(F)C(Cl)=C1 AT17644 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.277 COC1=CC(=O)N(C)C=C1Br C90979 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.279 COC1=C(F)C=C(C#N)C=N1 AT26920 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.279 COC1=C(F)C=C(CN)C=N1 AT26682 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.464 CC1=CC(Br)=CC(Br)=C1C=O AC9739 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.464 CNC1=C(Cl)C=C(I)C=C1Cl AT25409 [0,2,0,0,0,0|2,0,0]=4 230 B11R1.464 COC1=C(C)C=C(O)C=C1C AT19450 [0,2,0,0,0,0|0,0,0]=2 231 B11R1.464 COC1=C(C)N=C(N)N=C1Cl AT14283 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.464 COC1=C(O)C=C(I)C=C1C AT22246 [0,2,0,0,0,0|0,0,0]=2 233 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.167 CC1=CC(C(C)C)=C(N)C=C1 F52420 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92014 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.167 CC1=CC([C@H](C)N)=C(Br)C=C1 C92021 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91966 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.167 C[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91970 [0,2,0,0,0,0|2,0,0]=4 240 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24142 [0,2,0,0,0,0|2,0,0]=4 241 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24143 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.167 C[C@H](N)C1=C(F)C=CC(Cl)=C1 N13234 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 50793 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.280 COC1=C(S)C=CC(C#N)=C1 C91011 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.87 CC(C)(N)C1=C(N)C=CC=C1 D86445 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.87 CP(C)(=O)C1=C(I)C=CC=C1 AT11111 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.156 CC(C)C1=C(F)C=CC=C1O AT20215 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1Cl C92035 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1Cl C92044 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.156 C[C@H](N)C1=C(Br)C=CC=C1F C92042 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.21 C=CC1=CC(OC)=NO1 AT19569 [0,0,1,1,0,0|2,0,0]=4 252 B11R2.106 BrC1=C2NCCC2=CN=C1 38739 [0,1,0,1,0,0|2,0,0]=4 253 B11R2.106 CC1=C2NCCC2=NC=C1 AT24225 [0,1,0,1,0,0|2,0,0]=4 254 B11R2.106 IC1=C2CCNC2=CC=C1 F13717 [0,1,0,1,0,0|1,0,0]=3 255 B11R2.106 O=C1C=CC=C2CCCN12 AT22965 [0,1,0,1,0,0|2,0,0]=4 256 B11R2.106 OC1=C2CCNC2=NC=C1 D72164 [0,1,0,1,0,0|2,0,0]=4 257 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [0,1,0,1,0,0|1,0,0]=3 258 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [0,1,0,1,0,0|2,0,0]=4 259 B11R2.20 C1=CC2=C(C=N1)COCC2 AT22006 [0,1,0,1,0,0|1,0,0]=3 260 B11R2.20 C1=CC2=C(C=N1)NCCC2 AT25892 [0,1,0,1,0,0|2,0,0]=4 261 B11R2.20 C1=CC2=C(CCCO2)N=C1 85303 [0,1,0,1,0,0|1,0,0]=3 262 B11R2.20 C1=CN=C2COCCC2=C1 AT22005 [0,1,0,1,0,0|1,0,0]=3 263 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [0,1,0,1,0,0|1,0,1]=4 264 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,1,0,1,0,0|1,0,0]=3 265 B11R2.1 C[C@H]1CNC2=NC=CC=C21 93644 [0,1,0,1,0,0|2,0,0]=4 266 B11R2.1 N[C@H]1CCC2=NC=CC=C21 C15938 [0,1,0,1,0,0|2,0,0]=4 267 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,1,0,1,0,0|0,0,0]=2 268 B11R2.36 BrC1=NC2=C(C=C1)OCO2 AC9526 [0,1,0,1,0,0|2,0,0]=4 269 B11R2.36 ClC1=CN=C2CCCC2=C1 85958 [0,1,0,1,0,0|2,0,0]=4 270 B11R2.36 OC1=CN=C2NCCC2=C1 AC9486 [0,1,0,1,0,0|2,0,0]=4 271 B11R2.36 OC1=NC=C2CCNC2=C1 C16198 [0,1,0,1,0,0|2,0,0]=4 272 B11R2.117 N[C@H]1CC2=C1C=C(F)C=C2 AT11821 [0,1,0,1,0,0|2,0,0]=4 273 B11R2.468 O=C1CC2=CC=CC(Br)=C12 AT20401 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.1 COC1=CNC=N1 AT24767 [1,0,0,0,1,0|2,0,0]=4 275 B7R1.1 COC1=CNN=C1 AT16003 [1,0,0,0,1,0|2,0,0]=4 276 B7R1.4 CC1=C(N)C=CS1 86771 [1,0,0,0,1,0|2,0,0]=4 277 B7R1.4 CC1=C(N)C=CS1 AT25979 [1,0,0,0,1,0|2,0,0]=4 278 B7R1.4 CC1=C(O)C=CS1 AT26691 [1,0,0,0,1,0|1,0,0]=3