0 B13R2.3028 CC1=NC2=C(C=C(Cl)C=C2)N1C BB32-0821 [0,0,0,0,0,0|2,1,1]=4 1 B13R2.3028 CN1C(=O)NC2=C1N=C(Cl)N=C2 BB31-1773 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 BB31-2974 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O BB31-7685 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.132 CC1=CNC2=C1C=C(O)C=C2 BB31-7869 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 BB31-6035 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.132 CN1N=CC2=C1C=C(F)C=C2 BB31-7761 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.132 ClC1=CC2=C(C=C1)NC=C2Cl BB31-9001 [1,0,0,0,0,0|2,1,0]=4 8 B12R2.132 NC1=NNC2=C1C=C(F)C=C2 BB32-3110 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 BB32-3138 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 BB32-2243 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 BB32-3305 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 BB32-2400 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 BB31-0765 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.606 CC1=NC2=CC(Cl)=CC=C2N1 BB12-5463 [1,0,0,0,0,0|1,1,1]=4 15 B12R2.606 CC1=NC2=CC=C(N)C=C2N1 BB52-1070 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 BB31-6748 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 BB32-0970 [1,0,0,0,0,0|1,1,1]=4 18 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 BB31-9760 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.606 FC1=CC=C2N=C(S)NC2=C1 BB52-8605 [1,0,0,0,0,0|0,1,1]=3 20 B12R2.606 NC1=CC2=C(C=C1)N=C(Cl)N2 BB31-3776 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 BB31-4732 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 BB52-4887 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 BB31-4851 [1,0,0,0,0,0|2,1,0]=4 24 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 BB31-3316 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 BB31-4794 [1,0,0,0,0,0|2,1,0]=4 26 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 BB31-2042 [1,0,0,0,0,0|2,1,0]=4 27 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 BB31-0762 [1,0,0,0,0,0|2,1,0]=4 28 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 BB31-2201 [1,0,0,0,0,0|2,1,0]=4 29 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 BB31-2040 [1,0,0,0,0,0|2,1,0]=4 30 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 BB31-0014 [1,0,0,0,0,0|2,1,0]=4 31 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 BB31-2041 [1,0,0,0,0,0|2,1,0]=4 32 B12R2.606 O=C1NC2=C(N=C(Cl)C=C2)N1 BB32-1504 [1,0,0,0,0,0|1,1,0]=3 33 B12R2.606 OC1=NC2=CC=C(F)C=C2S1 BB17-0867 [1,0,0,0,0,0|1,0,2]=4 34 B12R2.606 SC1=NC2=CC=C(Cl)C=C2N1 BB52-8603 [1,0,0,0,0,0|0,2,1]=4 35 B14R2.645 O=C1NC2=CC(Br)=C(Br)C=C2C1=O BB31-3664 [0,1,0,0,0,0|1,1,1]=4 36 B14R2.645 O=C1NC2=CC(Cl)=C(Br)C=C2C1=O BB32-1150 [0,1,0,0,0,0|1,1,1]=4 37 B14R2.645 O=C1NC2=CC(F)=C(Br)C=C2C1=O BB31-8835 [0,1,0,0,0,0|1,1,1]=4 38 B14R2.3274 N#CC1=CC2=C(C=C1)NC(=O)C2=O BB32-3475 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.8716 CN1C(=O)C(=O)C2=C1C=C(F)C=C2 BB31-9960 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Br)=C1 BB52-1471 [0,1,0,0,0,0|1,1,1]=4 41 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O BB52-1469 [0,1,0,0,0,0|1,1,1]=4 42 B14R2.19008 CCC1C(=O)NC2=C1C=C(Br)C=C2 BB31-4603 [0,1,0,0,0,0|2,1,0]=4 43 B12R1.49 C=CC(=O)NC1=CC=C(Cl)C=C1 BB32-2622 [0,0,1,0,0,0|2,1,0]=4 44 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 BB32-0915 [0,0,1,0,0,0|3,0,0]=4 45 B14R2.4513 CN1C(=O)C=NC2=C1C=C(Br)C=C2 BB31-6765 [0,0,0,0,0,1|1,1,1]=4 46 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 BB52-1462 [0,0,0,0,0,1|1,1,1]=4 47 B14R2.8239 CC1=CC=C2NC(=O)C(C)OC2=C1 BB51-0722 [0,0,0,0,0,1|3,0,0]=4 48 B14R2.8239 CC1=NC2=CC(Br)=CC=C2NC1=O BB51-0035 [0,0,0,0,0,1|2,1,0]=4 49 B14R2.8239 O=C1NC2=C(C=C(F)C=C2)NC1=O BB32-3579 [0,0,0,0,0,1|1,0,1]=3 50 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 BB31-0032 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.37 C#CC1=C(C=O)C=CC(F)=C1 BB31-6867 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.157 NC(=O)NC1=CC=CC(Br)=C1 BB31-5775 [1,0,1,0,0,0|0,1,0]=3 56 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 BB31-0664 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.167 NC1=NC=C(F)C=C1C(=O)O BB31-1355 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.222 CC1=C(N(C)C=O)C=CC=C1 BB31-1907 [1,0,1,0,0,0|2,0,0]=4 59 B11R2.1 ClC1=CNC2=C1C=CC=C2 BB31-3376 [2,0,0,0,0,0|2,0,0]=4 60 B11R2.1 NC1=CNC2=C1C=CC=C2 BB32-3019 [2,0,0,0,0,0|2,0,0]=4 61 B11R2.10 BrC1=CC2=C(C=CC=C2)N1 BB31-2458 [2,0,0,0,0,0|2,0,0]=4 62 B11R2.10 IC1=CC2=C(C=CC=C2)N1 BB31-4420 [2,0,0,0,0,0|2,0,0]=4 63 B11R2.10 O=C1CC2=C(C=CC=N2)N1 BB31-4947 [2,0,0,0,0,0|2,0,0]=4 64 B11R2.10 O=C1CC2=C(C=NC=C2)N1 BB32-2391 [2,0,0,0,0,0|2,0,0]=4 65 B11R2.10 O=C1NC2=C(C=NC=C2)O1 BB32-3787 [2,0,0,0,0,0|2,0,0]=4 66 B11R2.10 O=C1NC2=C(N=CC=N2)N1 BB31-3204 [2,0,0,0,0,0|2,0,0]=4 67 B11R2.10 S=C1CC2=C(C=CC=C2)N1 BB32-2281 [2,0,0,0,0,0|1,1,0]=4 68 B11R2.36 FC1=CN=C2C=CNC2=C1 BB31-0752 [2,0,0,0,0,0|2,0,0]=4 69 B11R2.36 FC1=NC2=C(C=C1)NC=C2 BB31-6465 [2,0,0,0,0,0|2,0,0]=4 70 B11R2.36 NC1=CC=C2N=CNC2=C1 BB52-1069 [2,0,0,0,0,0|1,0,1]=4 71 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 BB32-3953 [0,1,1,0,0,0|1,1,0]=4 72 B13R1.2879 CNC(=O)NC1=CC(Cl)=C(Cl)C=C1 BB31-6266 [0,1,1,0,0,0|1,1,0]=4 73 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 BB32-2202 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.45 CN1C2=CC=CC=C2N=C1C=O BB52-0062 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 BB31-3288 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O BB52-1468 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 BB32-2874 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 BB31-2585 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.43 FC1=CC=C2NC(CCl)=NC2=C1 BB52-8449 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=C2)N1 BB32-2232 [1,1,0,0,0,0|1,1,0]=4 81 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2N1 BB52-6080 [1,1,0,0,0,0|1,1,0]=4 82 B13R2.43 O=CC1=NC2=C(C=C(Br)C=C2)N1 BB31-6398 [1,1,0,0,0,0|0,1,1]=4 83 B13R2.43 O=CC1=NC2=C(C=C(F)C=C2)N1 BB31-6397 [1,1,0,0,0,0|0,0,1]=3 84 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 BB31-6945 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.2121 N#CC1=CC2=C(C=C1)CC(=O)N2 BB31-3899 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)N2 BB31-5104 [1,1,0,0,0,0|1,0,0]=3 87 B13R2.3050 O=C1CC2=C(N=CC(F)=C2Cl)N1 BB31-0738 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.5397 CC1=CC2=C(NC(=O)C2)C(C)=C1 BB31-7209 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.5397 O=C1CC2=C(F)C=C(Br)C=C2N1 BB31-9886 [1,1,0,0,0,0|1,1,0]=4 90 B13R2.5397 O=C1CC2=CC(F)=CC(Cl)=C2N1 BB31-1505 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.5397 O=C1CC2=CC(F)=CC(F)=C2N1 BB31-4297 [1,1,0,0,0,0|1,0,0]=3 92 B13R2.5397 O=C1NC2=C(N1)C(Cl)=NC(Cl)=C2 BB32-3902 [1,1,0,0,0,0|1,1,0]=4 93 B13R2.13083 CC1=C(Br)C=C2CC(=O)NC2=C1 BB32-2810 [1,1,0,0,0,0|1,1,0]=4 94 B13R2.13083 CC1=C(Br)C=C2NC(=O)NC2=N1 BB31-0420 [1,1,0,0,0,0|1,1,0]=4 95 B13R2.13083 O=C1CC2=CC(F)=C(Br)C=C2N1 BB31-4789 [1,1,0,0,0,0|1,0,0]=3 96 B13R2.13083 O=C1NC2=CC(Cl)=C(O)C=C2O1 BB31-3443 [1,1,0,0,0,0|1,1,0]=4 97 B13R2.13083 O=C1NC2=CC(F)=C(F)C=C2N1 BB32-0822 [1,1,0,0,0,0|0,0,0]=2 98 B15R2.7203 CC1=C(C(=O)O)NC2=CC=C(F)C=C21 BB52-6027 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 BB32-1297 [0,0,1,0,1,0|2,0,0]=4 100 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 BB32-3823 [0,0,1,0,1,0|1,1,0]=4 101 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 BB31-1158 [0,0,1,0,1,0|2,0,0]=4 102 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 BB32-1300 [0,0,1,0,1,0|1,0,0]=3 103 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 BB31-7409 [1,0,0,0,0,1|2,0,0]=4 104 B13R2.328 O=C1C=C(O)C2=CC=CN=C2N1 BB32-3345 [1,0,0,0,0,1|2,0,0]=4