0 B9R1.69 CC1=C(C)N=C(N)N=C1 4028186 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=C(C)NC(=O)C=C1 4034896 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=C(O)N=C(N)N=C1 4026647 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CN=C(O)C=C1C 4051285 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 CC1=CN=C(O)N=C1C 4038318 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.69 CC1=NC(Cl)=C(C)C=N1 4026637 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 CC1=NC=C(Cl)C(O)=N1 4047922 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.69 CC1=NN=C(C)C(=O)N1 4045686 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CN1C=CC(=O)NC1=O 4045689 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 NC1=CC=C(Br)C(N)=N1 4029327 [0,0,0,0,0,0|2,1,1]=4 12 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [1,0,0,0,0,0|2,1,0]=4 13 B8R1.3 CC1=CN=C(N)N=C1 5264664 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.3 CC1=CN=C(O)N=C1 4044366 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.3 CC1=NC=C(Br)C=N1 4044350 [1,0,0,0,0,0|1,1,1]=4 16 B8R1.3 FC1=CN=C(Br)N=C1 4092756 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.3 NC1=CC=C(I)C=N1 3001813 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.3 OC1=CC=C(O)N=C1 4030644 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.4 CC1=CC=NC(O)=N1 4040424 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.4 CC1=CC=NC(O)=N1 4089730 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.4 CC1=NC(Cl)=CC=N1 4015462 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 CC1=NC=NC(N)=C1 9072006 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.5 CC1=C(O)N=CN=C1 4043028 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.22 CC1=C(O)C(=O)NC(=O)N1 4023082 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.25 NCC1=CNC(=O)NC1=O 4002868 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.30 CNC1=C(F)C=NC(Cl)=N1 4015094 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.30 COC1=C(F)C=NC(=O)N1 4044333 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.30 COC1=C(F)C=NC(Cl)=N1 4044389 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.118 CC1=C(C)NC(=O)C(Br)=C1 4041109 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.118 CC1=C(C)NC(=O)C(N)=C1 4041366 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.18 CC1=C(C)NC(=O)N1 4085336 [0,0,0,0,1,0|2,0,1]=4 36 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,0,0,0,1,0|3,0,0]=4 37 B8R1.18 CC1=NC(Br)=C(C)N1 4033842 [0,0,0,0,1,0|2,1,0]=4 38 B8R1.50 CC1=C(N)N(C)N=C1 4014353 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.50 CC1=NNC(C)=C1N 4029772 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.50 CC1=NNC(N)=C1N 4023568 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.2 CNC1=NC(Cl)=NC=C1 4026366 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.2 NCC1=CC(Cl)=NC=C1 4033586 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.3 CC1=C(C)C(N)=CC=N1 4015718 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.15 CC1=C(NN)C=CN=C1 4014009 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.464 C(=O)C1=C(N)NC(=O)NC1=O 4009839 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.167 CN(C)C1=C(F)C=NC(=O)N1 4044876 [0,2,0,0,0,0|0,0,0]=2 50 B11R1.167 CN(C)C1=C(F)C=NC(Cl)=N1 6083647 [0,2,0,0,0,0|1,0,1]=4 51 B11R1.280 COC1=NC(NN)=C(F)C=N1 4044462 [0,2,0,0,0,0|0,0,2]=4 52 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 4033986 [0,2,0,0,0,0|2,0,0]=4