0 B7R1.3 SC1=CN=CC=C1 AT26584 [0,0,0,0,0,0|1,1,0]=2 1 B6R1.1 [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 41443 [1,0,0,0,0,0|0,0,0]=1 2 B8R1.2 CCC1=NC=CC=N1 D86044 [0,1,0,0,0,0|3,0,0]=4 3 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,1,0,0,0,0|1,0,0]=2 4 B8R1.2 NCC1=CN=NC=C1 F10917 [0,1,0,0,0,0|3,0,0]=4 5 B8R1.2 NNC1=CN=NC=C1 AT13036 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [0,1,0,0,0,0|2,1,0]=4 7 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [0,1,0,0,0,0|1,1,0]=3 8 B8R1.4 CC1=CC(I)=CN=C1 D76269 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.4 FC1=CC=NC(Br)=N1 AT18238 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.4 FC1=CC=NC(Cl)=N1 D77150 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.4 NC1=CC(Br)=NN=C1 D76213 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [0,1,0,0,0,0|1,0,1]=3 14 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.4 O=C1C=CC=C(I)N1 D76264 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.4 SC1=CC(Cl)=CN=C1 AT19856 [0,1,0,0,0,0|1,1,0]=3 17 B8R1.5 BrC1=C(I)C=NC=N1 C11129 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.5 CC1=C(N)C=CN=N1 F13599 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.5 CC1=C(N)C=CN=N1 F13600 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.5 CC1=CN=NC=C1N P19176 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.5 CN1C=CC=NC1=O AT19342 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.5 CN1C=NC=CC1=O D77055 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.5 NC1=C(N)N=NC=C1 S10921 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.5 NC1=C(S)C=NC=C1 P12634 [0,1,0,0,0,0|1,1,0]=3 26 B8R1.5 O=C1OC=CC=C1Br AC1746 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.5 OC1=C(Br)C=NN=C1 D72174 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.5 OC1=C(F)C=CN=C1 98163 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.4 N#C\C=C\C(=O)O AC9289 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.4 NC\C=C/C(=O)O AT20734 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.4 NC\C=C\C(=O)O AT20733 [0,0,1,0,0,0|2,0,1]=4 32 B6R1.2 BrC1=CN=CO1 AT11056 [0,0,0,0,1,0|3,0,0]=4 33 B6R1.2 BrC1=COC=N1 AT11057 [0,0,0,0,1,0|3,0,0]=4 34 B6R1.2 FC1=NC=CN1 73631 [0,0,0,0,1,0|3,0,0]=4 35 B6R1.2 NC1=COC=C1 AC9528 [0,0,0,0,1,0|2,0,0]=3 36 B6R1.2 O=C1C=COC1 D75288 [0,0,0,0,1,0|1,0,2]=4 37 B6R1.2 O=C1NC=CO1 C74434 [0,0,0,0,1,0|2,0,1]=4 38 B6R1.2 OC1=CC=CS1 AC4704 [0,0,0,0,1,0|1,0,0]=2 39 B7R1.1 C#CC1=CC=CO1 AC9158 [0,1,0,0,1,0|2,0,0]=4 40 B7R1.1 COC1=CNC=N1 AT24767 [0,1,0,0,1,0|2,0,0]=4 41 B7R1.1 COC1=CNN=C1 AT16003 [0,1,0,0,1,0|2,0,0]=4 42 B7R1.2 CC1=CC=C(N)S1 32908 [0,1,0,0,1,0|2,0,0]=4 43 B7R1.2 CC1=CN(N)C=C1 AT24000 [0,1,0,0,1,0|2,0,0]=4 44 B7R1.2 NC1=CC(F)=CS1 AT16866 [0,1,0,0,1,0|2,0,0]=4 45 B7R1.2 NC1=CC=C(N)N1 F52185 [0,1,0,0,1,0|2,0,0]=4 46 B7R1.2 NC1=CSC(Br)=C1 P11848 [0,1,0,0,1,0|2,0,0]=4 47 B7R1.4 CC1=C(N)C=CS1 86771 [0,1,0,0,1,0|2,0,0]=4 48 B7R1.4 CC1=C(N)C=CS1 AT25979 [0,1,0,0,1,0|2,0,0]=4 49 B7R1.4 CC1=C(O)C=CS1 AT26691 [0,1,0,0,1,0|1,0,0]=3 50 B7R1.4 FC1=C(Br)SC=C1 AT16344 [0,1,0,0,1,0|2,0,0]=4 51 B7R1.4 NC1=C(Br)SC=C1 AT14950 [0,1,0,0,1,0|2,0,0]=4 52 B7R1.4 NC1=CSC=C1Br P13982 [0,1,0,0,1,0|2,0,0]=4 53 B7R1.4 NC1=CSC=C1Cl P10601 [0,1,0,0,1,0|2,0,0]=4 54 B7R1.4 OC1=NOC=C1Br AT19728 [0,1,0,0,1,0|2,0,0]=4 55 B7R1.4 OC1=NSC=C1Br AT11778 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [0,2,0,0,0,0|1,0,0]=3 60 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.1 OCC1=CN=C(Br)N=C1 D76260 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.2 COC1=NN=CC(N)=C1 AC8536 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.2 COC1=N[N+]([O-])=CC=C1 D74921 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [0,2,0,0,0,0|2,0,0]=4 68 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.2 NCC1=NC=CC(O)=C1 79355 [0,2,0,0,0,0|1,0,0]=3 70 B9R1.2 O=C1C=CN=C(CO)N1 AT21628 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.2 OCC1=NC=CC(Cl)=N1 AT21631 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,2,0,0,0,0|0,0,1]=3 78 B9R1.6 OB(O)C1=NN=CC=C1 D75475 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.8 O=C=NC1=CC=NC=C1 AC6649 [0,2,0,0,0,0|1,0,1]=4 83 B9R1.8 OCCC1=NC=NC=C1 20262 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.8 S=C=NC1=CC=NC=C1 C11997 [0,2,0,0,0,0|1,1,0]=4 85 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,2,0,0,0,0|1,1,0]=4 86 B9R1.15 C#CC1=NC=CC=C1N AT26714 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.15 CC1=C(CO)C=NN=C1 F30427 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.15 CC1=CC=NN=C1CO F50171 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [0,2,0,0,0,0|0,0,1]=3 90 B9R1.15 COC1=C(N)N=NC=C1 D86048 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.15 COC1=CN=CN=C1Br D88097 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.15 COC1=NN=CC=C1N D74369 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.15 N#CC1=C(F)C=CN=C1 C14105 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.15 N#CC1=C(S)C=CC=N1 AT16200 [0,2,0,0,0,0|1,1,0]=4 95 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.15 NCC1=CC=CNC1=O D76881 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [0,2,0,0,0,0|1,0,1]=4 98 B9R1.69 CC1=C(Br)C=NC(O)=N1 64362 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.69 CC1=C(N)N=C(Cl)C=C1 AT18493 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.69 CC1=C(O)C=NC(Br)=N1 AT22354 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.69 CC1=CC(F)=C(Cl)C=N1 D72539 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.69 CC1=CC(I)=C(Br)C=N1 AT24028 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=CC=C(Br)C(I)=N1 AT24007 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.69 CC1=CN=C(Br)C(O)=C1 79186 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.69 CC1=CN=C(Br)C=C1C AC6563 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.69 CC1=CN=C(I)C(O)=C1 C91413 [0,2,0,0,0,0|1,0,0]=3 107 B9R1.69 CC1=NC(N)=C(Cl)C=C1 P20697 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.69 ClC1=C(I)C=C(I)C=C1 AT18534 [0,2,0,0,0,0|1,0,0]=3 109 B9R1.69 FC1=CC(Br)=C(I)C=N1 AC8140 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.69 FC1=CC(F)=C(Br)C=N1 F53629 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.69 FC1=CC(I)=C(Br)C=N1 AC9250 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.69 FC1=CC=C(Cl)C(Br)=N1 C91699 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.69 FC1=CN=C(I)C(Br)=C1 AT22417 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.69 NC1=C(Br)C=C(F)N=C1 C90325 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.69 NC1=C(Cl)C=CC(Br)=N1 C14109 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.69 NC1=C(Cl)C=NC(F)=C1 F31183 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.69 NC1=C(I)C=CC(Br)=N1 F20848 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.69 NC1=C(O)C=NC(Cl)=N1 AC7385 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.69 NC1=CC(Cl)=C(F)N=C1 D96168 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.69 NC1=CC(F)=C(N)C=N1 AT25925 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.69 NC1=CC=C(N)C(N)=N1 F18156 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.69 NC1=NC(O)=C(Cl)C=C1 AT18216 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.69 O=C1NC(Br)=CC=C1Br D75460 [0,2,0,0,0,0|1,0,1]=4 124 B9R1.69 OC1=C(F)N=C(I)C=C1 AT19125 [0,2,0,0,0,0|1,0,0]=3 125 B9R1.69 OC1=CN=C(Br)C(F)=C1 78747 [0,2,0,0,0,0|1,0,0]=3 126 B9R1.69 SC1=C(I)C=CC(Cl)=C1 AT20870 [0,2,0,0,0,0|0,1,0]=3 127 B9R1.69 SC1=CC(Br)=C(Cl)C=C1 AT20884 [0,2,0,0,0,0|0,1,0]=3 128 B9R1.69 SC1=CC(Cl)=CN=C1Br AT21419 [0,2,0,0,0,0|1,1,0]=4 129 B9R1.69 [2H]C1=CC([2H])=C([2H])C=C1 D98805 [0,2,0,0,0,0|1,0,0]=3 130 B9R1.3 CC1=C(F)C=NC=C1N AT11608 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.3 CC1=CC=CC(O)=C1S D87757 [0,2,0,0,0,0|0,0,0]=2 132 B9R1.3 CC1=CC=CC(S)=C1Cl AT20810 [0,2,0,0,0,0|0,1,0]=3 133 B9R1.3 CC1=NC=CC(O)=C1N D75564 [0,2,0,0,0,0|1,0,0]=3 134 B9R1.3 CN1C(=O)C=CC=C1N AT19287 [0,2,0,0,0,0|1,0,1]=4 135 B9R1.3 NC1=C(Cl)C(F)=CC=N1 AT24469 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.3 NC1=C(Cl)C(S)=CC=N1 98379 [0,2,0,0,0,0|1,1,0]=4 137 B9R1.3 NC1=C(I)C(F)=CC=N1 AT24470 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.3 NC1=CC=CC(I)=C1F AT12784 [0,2,0,0,0,0|1,0,0]=3 139 B9R1.3 NC1=CN=CC(Br)=C1S D81251 [0,2,0,0,0,0|1,1,0]=4 140 B9R1.3 NC1=NC=CC(I)=C1F 98663 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.3 O=C1NC=CC(I)=C1Br 91735 [0,2,0,0,0,0|1,0,1]=4 142 B9R1.3 O=C1NC=CC(O)=C1Br D87597 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.3 OC1=C(Br)C=CC=C1S AT20877 [0,2,0,0,0,0|0,0,0]=2 144 B9R1.3 OC1=C(I)C=CN=C1F AT19123 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.3 OC1=CN=CC(Cl)=C1I D73511 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.3 OC1=NC=CC(Br)=C1Cl AT12833 [0,2,0,0,0,0|1,0,0]=3 147 B9R1.3 SC1=C(Br)C=CC=C1Cl AT20840 [0,2,0,0,0,0|0,1,0]=3 148 B9R1.3 [2H]C1=CC=CC([2H])=C1[2H] D97879 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.3 [BH3-]C1=C(F)C=CC=C1N AC9155 [0,2,0,0,0,0|1,0,0]=3 150 B9R1.3 [BH3-]C1=CC=CN(C)C1=O AC8669 [0,2,0,0,0,0|1,0,1]=4 151 B9R1.34 CC1=CC(F)=CC(Br)=N1 AT24856 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.34 ClC1=CC(I)=CC(I)=C1 D75154 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.34 FC1=CC(Br)=NC(F)=C1 C15766 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.34 NC1=CC(F)=CC(Br)=N1 AT10211 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.34 NC1=CC(F)=CC(Cl)=N1 AT18827 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.34 NC1=CC(I)=CC(Cl)=N1 AT10788 [0,2,0,0,0,0|2,0,0]=4