0 B11R2.36 BrC1=CC=C2NC=CC2=N1 CDS022967 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.36 BrC1=CC=C2NC=CC2=N1 PHB00045 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.36 BrC1=NC=C2NC=CC2=C1 PHB00280 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.36 ClC1=CC2=C(C=N1)NC=C2 CDS023185 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.36 ClC1=CC=C2N=CSC2=N1 UPL0010 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.36 ClC1=CC=C2NC=CC2=N1 ADE000995 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.36 ClC1=CN2C=CN=C2C=C1 ADE001445 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.36 ClC1=NN2C=CN=C2C=C1 CDS005940 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,0,0,0,0,0|3,0,0]=3 15 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.36 NC1=NC2=C(C=N1)CCC2 CBR00289 [0,0,0,0,0,0|2,0,2]=4 17 B11R2.36 NC1=NC=C2CCOC2=N1 CBR00170 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.36 OC1=NN2C=CN=C2C=C1 SYX00185 [0,0,0,0,0,0|4,0,0]=4 19 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,0,0,0|3,0,0]=4 20 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,0,0,0|3,0,0]=4 21 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|3,0,0]=4 22 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,0,0,0|1,0,1]=3 23 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,0,0,0|2,0,1]=4 24 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,0,0|2,0,0]=3 25 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,0,0,0|2,0,0]=3 26 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 CBR01022 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.44 NNC1=NN2C=CN=C2C=C1 CBR01607 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.132 CC1=CSC2=C1N=C(N=C2)Cl CDS021390 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.246 CC1=NC2=C(SC=C2)C(=N1)Cl CBR01727 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.246 ClC1=C2NC=CC2=CC(=N1)Br ADE001027 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.246 ClC1=NC(=C2SC=CC2=N1)Cl CDS005155 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.246 N1C=NC2=C1N=C(N=C2O)S S448524 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.246 NC1=NC(=NC2=C1N=CN2)O CDS000009 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.246 SC1=NC2=C(N=CN2)C(=N1)S S459070 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [0,0,1,0,0,0|3,0,0]=4 44 B10R2.2 NC1=NC2=C(S1)SC=C2 CDS024425 [0,0,0,0,1,0|2,1,0]=4 45 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [0,0,0,0,0,1|3,0,0]=4 46 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,0,0,1|3,0,0]=4 49 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,0,0,1|2,0,0]=3 52 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,0,0,1|3,0,0]=4 53 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,0,0,1|2,0,0]=3 54 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,0,0,1|2,0,0]=3 55 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,0,0,1|2,0,0]=3 56 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,0,0,1|2,0,1]=4 57 B9R1.33 CC1=C(SC=C1)/C=N/N R128422 [1,0,1,0,0,0|2,0,0]=4 58 B11R2.1 BrC1=CSC2=CN=CN=C12 SYX00430 [1,1,0,0,0,0|2,0,0]=4 59 B11R2.106 BrC1=CN=CC2=C1C=CN2 CDS023625 [1,1,0,0,0,0|1,0,1]=4 60 B11R2.106 ClC1=C2NC=CC2=CC=N1 ADE001012 [1,1,0,0,0,0|1,0,1]=4 61 B11R2.106 ClC1=NC=NC2=C1N=CS2 CDS021287 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [0,1,0,0,0,1|2,0,0]=4 63 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [0,1,0,0,0,1|2,0,0]=4 64 B13R2.328 ClC1=NC(=C2N=CC=CC2=N1)Cl CDS008871 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.328 NC1=CC2=C(C=CN=C2)C(=N1)Br S872938 [0,1,0,0,0,1|2,0,0]=4 66 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,1,0,0,0,1|2,0,0]=4 67 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,1,0,0,0,1|2,0,0]=4 68 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [0,1,0,0,0,1|2,0,0]=4 70 B13R2.5397 NC1=NC2=C(N=C(N2)Br)C(=N1)O S785652 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.11 N/C(=N\O)/C1=CSC=C1 CDS017788 [0,0,1,0,1,0|2,0,0]=4 72 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,1,0,0,1|2,0,0]=4 73 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,0,0,1|2,0,0]=4 74 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,0,0,1|2,0,0]=4 75 B8R1.8 ON=CC1=CC=CS1 S551848 [2,0,1,0,0,0|1,0,0]=4 76 B12R1.252 C(=N/NC(=S)N)\C1=CC=CC=N1 S876208 [0,0,1,0,0,2|0,1,0]=4