0 B13R2.3683 CC1=CC=C2C=C(Br)C=NC2=N1 AC8565 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=N1 AT25404 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.3683 CC1=CC=C2N=C(O)C=CC2=N1 89272 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=N1 91139 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.3683 ClC1=CC=C2N=C(Br)N=CC2=C1 AC8211 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.3683 FC1=CN=C2C=C(Cl)C=CC2=C1 AT16383 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.3683 NC1=CC2=C(C=C1)CC(=O)NC2 AT21752 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.3683 NC1=CC=C2C=C(Cl)N=CC2=C1 D74437 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.3683 NC1=CC=C2N=C(N)N=CC2=C1 D74584 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.3683 O=C1C=C2C=CC(Br)=CC2=CN1 P20226 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 AT20434 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.24 BrC1=NC2=CC=NC=C2C=C1 80803 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 IC1=CC2=NC=CC=C2C=C1 F13952 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 OC1=CC2=CN=CN=C2C=C1 D77556 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 [2H]C1=CC=C2C=CC=NC2=C1 AC4557 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 [2H]C1=CC=C2N=CC=CC2=C1 AC4556 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.2332 C#CC1=CN=C2NC(=O)C=CC2=C1 91261 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=C1 AT10299 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.2332 COC1=CC2=CC=C(N)C=C2N=C1 K10179 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.2332 O=CC1=NC2=CC=C(O)C=C2C=C1 AT13269 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.2332 [2H]C1=CC=C2C=C(OC)C=CC2=C1 AC6596 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.8235 CC1=CC(=O)C2=C(C=CC(Br)=C2)N1 D75053 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.8235 CC1=CC(=O)C2=C(C=CC(N)=C2)O1 AC8231 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.8235 CC1=CC(Br)=C2NC(=O)C=CC2=C1 D73423 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.8235 CC1=CC=C2N=C(Cl)C=C(C)C2=C1 D76841 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Br)=C2)S1 D73582 [0,1,0,0,0,0|2,1,0]=4 28 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)O2 AC6003 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [0,0,0,0,1,0|3,0,0]=4 30 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,0,0,0,1,0|2,0,1]=4 33 B12R2.612 NC1=CC2=C(C=C1)C(Br)=CS2 F13553 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,0,0,0,1,0|2,0,1]=4 35 B12R2.612 [2H]C1=CC2=C(C=C1)N(C)C=C2 AC4998 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.1 CC1=CC=C(OCC=O)C=C1 H11068 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 D73872 [1,0,1,0,0,0|1,0,1]=4 38 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [0,1,1,0,0,0|0,0,1]=3 39 B13R2.32 CC1=C(I)C2=CC=NC=C2C=C1 AT16422 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.32 NC1=C(Cl)C2=CC=CN=C2C=C1 D87214 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.57 NNC1=CC=C2N=CC=CC2=C1 CX1202 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.155 CC1=CC=C2C=CC(N)=NC2=C1 98094 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=N1 AT25403 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 AT13264 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.155 CC1=NC=C2C=CC(Br)=CC2=C1 D79825 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=C1 AT10621 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.155 O=C1C=CC2=CN=C(Br)C=C2N1 F30751 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.155 O=C1C=CC2=CN=C(F)C=C2N1 F30754 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.162 CC1=CC=C2N=CC=C(Br)C2=N1 AT25402 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 N14312 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.162 O=C1C=CSC2=C1C=C(Br)C=C2 D74311 [1,1,0,0,0,0|1,1,0]=4 52 B13R2.162 O=C1C=CSC2=C1C=C(Cl)C=C2 D74310 [1,1,0,0,0,0|1,1,0]=4 53 B13R2.162 O=C1C=CSC2=C1C=C(F)C=C2 D74312 [1,1,0,0,0,0|1,1,0]=4 54 B13R2.328 CC1=CC(O)=CC2=CC=CC=C12 AT25263 [1,1,0,0,0,0|1,0,1]=4 55 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)S1 D74313 [1,1,0,0,0,0|1,1,0]=4 56 B13R2.369 CC1=CC2=CC=CC=C2C=C1N D88160 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.5179 CC1=C2C=CC(O)=CC2=CC=C1 N14584 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.5179 CC1=CC2=CC=CC(N)=C2C=N1 W18629 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.5179 FC1=C2C=CC(Br)=NC2=CC=C1 D71269 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=C1 AT23038 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 AT23037 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 F53478 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.5179 NC1=C2C=CC(F)=NC2=CC=C1 E70239 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=C1 AT10620 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.5179 NC1=CC=C2C(F)=CC=CC2=N1 D71271 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=N1 D71270 [1,1,0,0,0,0|1,0,1]=4 68 B13R2.2121 CC1=CC2=C(C=C(C=O)C=C2)N1 AC8723 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)C2 I11320 [0,1,0,0,1,0|1,0,1]=4 70 B13R2.2121 COC1=CC2=C(C=C1)OC(=O)N2 AC6094 [0,1,0,0,1,0|1,0,0]=3 71 B13R2.2121 COC1=CC2=C(C=C1)OC(N)=N2 AC6530 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.2121 O=C1CC2=C(C=C(CO)C=C2)N1 AT22550 [0,1,0,0,1,0|2,0,0]=4 73 B13R2.3028 O=C1SC2=C(C=C(Cl)C=C2)C1=O AT25623 [0,1,0,0,1,0|1,1,0]=4 74 B13R2.5190 CC1=CC2=C(C=C1)[C@H](N)C(=O)N2 W10069 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.13083 CC1=C(Br)C=C2OC(N)=NC2=C1 D75806 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.2130 CC1=COC2=C1C=CC(C=O)=C2 98468 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 P13621 [0,1,0,0,1,0|1,0,1]=4 78 B13R2.3108 NC1=CC2=C(C=C1)S(=O)(=O)C=C2 AC8395 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.3108 O=S1(=O)C=CC2=C1C=CC(O)=C2 D73913 [0,1,0,0,1,0|2,0,0]=4 80 B15R2.4778 CC1=CC=C2C(=C1)C=CC(C=O)=C2Br 57920 [0,2,0,0,0,0|1,0,0]=3 81 B15R2.7180 CC1=CN=C2C=C(C(=O)O)C=CC2=C1 K10221 [0,2,0,0,0,0|2,0,0]=4 82 B15R2.7180 O=C(O)C1=CC=C2C=C([18F])C=CC2=C1 C92409 [0,2,0,0,0,0|2,0,0]=4 83 B15R2.1007 CC1=C(Br)C(=O)OC2=C1C=C(O)C=C2 AT15777 [0,2,0,0,0,0|1,0,0]=3 84 B15R2.1007 CC1=CC=C2N=C(Cl)C(C)=C(Cl)C2=C1 D77321 [0,2,0,0,0,0|2,0,0]=4 85 B15R2.1824 N#CC1=CC2=C(C=CC(Cl)=C2)NC1=O F52151 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.63893 CC1=CC2=C(C=CC(N)=C2)N(C)C1=O 58049 [0,2,0,0,0,0|2,0,0]=4 87 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [1,0,0,0,1,0|2,0,0]=4 88 B11R2.36 BrC1=NC2=C(C=C1)OC=C2 C72402 [1,0,0,0,1,0|2,0,0]=4 89 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51265 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.36 [2H]C1=CC2=C(C=C1)SC=C2 AC4021 [1,0,0,0,1,0|1,1,0]=4 91 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 AC7961 [0,0,1,0,0,1|1,0,0]=3