0 B9R1.69 C=C1NC(=O)CNC1=O D72755 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=C(Br)C=NC(O)=N1 64362 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.69 CC1=C(N)N=C(Cl)C=C1 AT18493 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=C(O)C=NC(Br)=N1 AT22354 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 CC1=CC(F)=C(Cl)C=N1 D72539 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.69 CC1=CC(I)=C(Br)C=N1 AT24028 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.69 CC1=CN=C(Br)C=C1C AC6563 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=CN=C(C)N=C1Br AT18302 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 CC1=CN[13C](=O)NC1=O D98680 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.69 CC1=NC(N)=C(Cl)C=C1 P20697 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.69 ClC1=C(Br)N=C(Br)N=C1 D73840 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.69 FC1=CC(Br)=C(I)C=N1 AC8140 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.69 FC1=CC(F)=C(Br)C=N1 F53629 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.69 FC1=CC(I)=C(Br)C=N1 AC9250 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.69 NC1=C(Br)C=C(F)N=C1 C90325 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 NC1=C(Cl)C=CC(Br)=N1 C14109 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.69 NC1=C(Cl)C=NC(F)=C1 F31183 [0,0,0,0,0,0|2,1,0]=3 17 B9R1.69 NC1=C(I)C=CC(Br)=N1 F20848 [0,0,0,0,0,0|2,1,1]=4 18 B9R1.69 NC1=C(O)C=NC(Cl)=N1 AC7385 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.69 NC1=CC(F)=C(N)C=N1 AT25925 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 NC1=CC=C(N)C(N)=N1 F18156 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.69 NC1=NC(N)=C(Br)C=N1 D88191 [0,0,0,0,0,0|1,1,1]=3 22 B9R1.69 O=C1N=C(Cl)C(F)=CN1 AC9398 [0,0,0,0,0,0|1,0,2]=3 23 B9R1.69 O=C1NC(Br)=CC=C1Br D75460 [0,0,0,0,0,0|3,1,0]=4 24 B9R1.69 O=C1NC(Cl)=NC=C1Cl AT15155 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.69 [2H]C1=CNC(=O)NC1=O D98263 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [1,0,0,0,0,0|1,1,0]=3 27 B8R1.4 FC1=CC=NC(Br)=N1 AT18238 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.4 FC1=CC=NC(Cl)=N1 D77150 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.4 NC1=CC(Br)=NN=C1 D76213 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.4 O=C1C=CC=C(I)N1 D76264 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.5 BrC1=C(I)C=NC=N1 C11129 [1,0,0,0,0,0|1,1,1]=4 35 B8R1.5 CC1=C(N)C=CN=N1 F13599 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.5 CC1=C(N)C=CN=N1 F13600 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.5 CC1=CN=NC=C1N P19176 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 NC1=C(N)N=NC=C1 S10921 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 NC1=C(S)C=NC=C1 P12634 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.5 OC1=C(F)C=CN=C1 98163 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.22 CC1=CC(N)=C(N)C(N)=N1 C93239 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.22 FC1=C(Cl)N=C(Cl)N=C1I F52958 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.22 O=C1NC(Cl)=NC(Cl)=C1Cl AT22921 [0,1,0,0,0,0|2,1,0]=4 44 B10R1.25 N#CC1=CN=C(Cl)C=C1N AT11358 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.30 N#CC1=C(Br)C=CC(=O)N1 O10972 [0,1,0,0,0,0|1,1,1]=4 47 B10R1.30 OC1=CC(CCl)=C(F)C=N1 W11443 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.118 CN1C=C(Br)C(N)=CC1=O AT15649 [0,1,0,0,0,0|1,1,1]=4 49 B10R1.118 NC1=CC(F)=C(N)C=C1F D77147 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.119 CC1=C(F)C=CC(F)=C1N AT24273 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.119 CN1C(=O)C(O)=CN=C1Cl AT25855 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.119 NC1=C(F)C=CC(F)=C1N C77441 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.119 NC1=C(F)C=CC(I)=C1F D76745 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.119 NC1=C(I)C=NC(Br)=C1I W15294 [0,1,0,0,0,0|2,1,0]=4 55 B10R1.119 NC1=C(N)C(Br)=NC=C1F CS2040 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.119 NC1=NC=C(F)C(I)=C1F AT23212 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.176 CC1=CN=C(CO)C=C1N AC4836 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.176 N#CC1=CC(N)=C(Cl)C=N1 AT24931 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [0,1,0,0,0,0|2,1,0]=4 60 B10R1.176 NC1=C(Br)C=NC(CO)=C1 P13384 [0,1,0,0,0,0|1,1,1]=4 61 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.176 OCC1=CC(Br)=C(F)C=N1 D73852 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.18 CN1C=C(F)C(N)=N1 AT14070 [0,0,0,0,1,0|2,0,1]=4 66 B8R1.18 CN1C=C(N)C(F)=N1 AT11532 [0,0,0,0,1,0|3,0,0]=4 67 B8R1.50 CC1=C(N)C(Br)=NO1 AT19694 [0,0,0,0,1,0|3,0,0]=4 68 B8R1.50 CC1=C(N)C(Br)=NO1 AT19724 [0,0,0,0,1,0|3,0,0]=4 69 B8R1.50 CC1=NSC(Br)=C1N AT26937 [0,0,0,0,1,0|2,1,0]=4 70 B8R1.50 CC1=NSC(C)=C1N AT21115 [0,0,0,0,1,0|3,0,0]=4 71 B8R1.50 CN1N=CC(F)=C1N AT13368 [0,0,0,0,1,0|2,0,0]=3 72 B7R1.3 SC1=CN=CC=C1 AT26584 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.1 FC1=CN=C(CCl)N=C1 P11644 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.2 NC1=CC=NC(CCl)=N1 AT18293 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.2 NCC1=CC=NC(N)=N1 AC7326 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.2 NCC1=CC=NC(N)=N1 AT21781 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.2 NCC1=NC(=O)NC=C1 P13759 [1,1,0,0,0,0|0,0,2]=4 79 B9R1.2 O=C1C=CN=C(CO)N1 AT21628 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.3 CN1C(=O)C=CC=C1N AT19287 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.34 [2H]C1=CC(=O)NC(=O)N1 D98605 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.37 CN1C(Br)=NC(F)=C1Br 73201 [0,1,0,0,1,0|2,0,0]=4 83 B11R1.166 O=C1C=CC(C(F)F)=C(Cl)N1 AT25018 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.167 C[C@H](N)C1=CC(Br)=NC=C1F AT14347 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.167 C[C@H](N)C1=CC(Br)=NC=C1F AT14350 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.2 CC1=CN=C(N)N1 28111 [1,0,0,0,1,0|2,0,0]=4 88 B7R1.2 NC1=CC(F)=CS1 AT16866 [1,0,0,0,1,0|2,0,0]=4 89 B7R1.4 CC1=C(N)C=CS1 86771 [1,0,0,0,1,0|2,0,0]=4 90 B7R1.4 CC1=C(N)C=CS1 AT25979 [1,0,0,0,1,0|2,0,0]=4 91 B7R1.4 NC1=C(Br)N=CS1 92248 [1,0,0,0,1,0|2,0,0]=4 92 B7R1.4 NC1=C(Br)SC=C1 AT14950 [1,0,0,0,1,0|2,0,0]=4 93 B7R1.4 NC1=CSN=C1Br AT21080 [1,0,0,0,1,0|2,0,0]=4