0 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.279 COC1=CC(C)=C(CN)C=C1 BB55-8670 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.279 COC1=CN=C(C#N)C(C)=C1 BB31-1240 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 C=CC1=CC=C(CC)C=C1 BB01-8156 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.3 CCC1=CC=C(NN)C=C1 BB01-8045 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.3 COC1=CC=C(NN)C=C1 BB01-6100 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.3 COC1=NC=C(C=O)C=N1 BB54-4202 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.25 CC1=CC=C(NN)C(Br)=C1 BB56-0056 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.25 CC1=CC=C(NN)C(C)=C1 BB56-2530 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.25 NCC1=CC=C(O)C=C1O BB12-1397 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 BB56-1846 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 BB56-1915 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.25 O=CC1=C(O)C=C(F)C=C1 BB20-3279 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.176 COC1=CC=C(N)C(F)=C1 BB57-4852 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.48 CC1=CC(N(C)C)=CC=C1C=O BB55-3567 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.78 COC1=NC(OC)=C(C=O)C=N1 BB12-1732 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 BB56-1820 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 BB17-2283 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 BB32-1283 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.452 COC1=NC(N)=C([N+](=O)[O-])C=C1 BB54-0842 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.653 COC1=C(N)C(N)=C(OC)C=C1 BB57-4118 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.44 COC1=CC=C2NC=NC2=C1 BB57-3664 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.35 COC1=NC(C)=C(C=O)S1 BB58-3684 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.35 COC1=NC(Cl)=C(C=O)S1 BB58-0499 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 CC1=CN=C(C=O)C=N1 BB58-1329 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.15 NC1=C(C=O)C=NC=C1 BB54-2988 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 NC1=NC=CC=C1C=O BB54-1029 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 O=CC1=C(O)C=CN=C1 BB31-4787 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.15 O=CC1=CC=CN=C1Br BB56-0225 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 O=CC1=CC=CNC1=O BB57-4266 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.2 CNC1=CC(C)=CC=C1 BB01-7304 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.3 COC1=CC=C(C(=N)N)C=C1 BB58-0024 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BB54-0843 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 BB12-1599 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.83 COC1=CC=C(CNN)C=C1 BB55-6542 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.83 COC1=CC=C(\C=N/O)C=C1 BB01-7427 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.83 [C-]#[N+]C1=CC=C(OCC)C=C1 BB56-1768 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.37 COC1=CC(Br)=CN=C1C=O BB31-9268 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.81 CC1=CC(C)=C(\C=N\O)C=C1 BB20-3236 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 BB55-8755 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 BB57-1814 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 BB12-2178 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 BB55-7325 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.277 CC1=CC(O)=C(C=O)C=C1Br BB17-1091 [1,1,0,0,0,0|0,0,0]=2 71 B11R1.277 O=CC1=CC(O)=C(Br)C=C1Br BB17-2302 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.464 CC1=CC(O)=CC(O)=C1C=O BB17-2252 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.14 COC1=CC(N)=C(N)C(Br)=C1 BB17-2184 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.21 CC(=O)C1=CC=C(Br)C(O)=C1 BB01-7488 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.192 CCOC1=CC(N)=C(N)C=C1 BB58-0445 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.192 CCOC1=CC=C(N)C(F)=C1 BB57-4850 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB01-6273 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.652 COC1=CC(O)=C(C(C)=O)C=C1Cl BB54-4755 [0,2,0,0,0,0|0,0,0]=2 79 B13R1.652 COC1=CN(C)C(C(=O)O)=CC1=O BB26-0366 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 BB31-7699 [0,2,0,0,0,0|0,0,2]=4 81 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 BB17-2298 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.2200 COC1=CC(OC)=C(C=O)C=C1Br BB12-2859 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 BB54-4799 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 BB56-1063 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 BB57-0258 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.426 COC1=C(C)C(C)=C(C=O)C=C1C BB57-2133 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.426 COC1=C(O)C(Br)=C(C=O)C(Br)=C1 BB17-1496 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.159 CN1C=CC=C(C(=O)O)C1=O BB12-3383 [0,0,1,1,0,0|2,0,0]=4 89 B11R2.36 CC1=CC2=C(C=CN2)C=C1 BB01-7867 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.36 CC1=CC=C2C=NNC2=C1 BB57-4110 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.36 OC1=CC2=C(C=C1)N=CO2 BB54-5551 [1,0,0,1,0,0|2,0,0]=4 92 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 BB12-2913 [0,1,0,1,0,0|0,0,0]=2 93 B13R2.2130 N#CC1=CC=C2C(=O)OCC2=C1 BB01-7903 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 BB31-4795 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.2121 CCC1=CC=C2NC(=O)CC2=C1 BB17-0213 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 BB57-3663 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 BB12-1347 [0,1,0,1,0,0|1,1,0]=4 98 B13R2.2121 COC1=CC=C2SC(S)=NC2=C1 BB55-7897 [0,1,0,1,0,0|1,1,0]=4 99 B13R2.599 COC1=CC2=C(C=C1N)OCO2 BB54-3058 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 BB54-0101 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.21 COC1=NC=C(C=O)S1 BB55-8397 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.22 CC1=CC(C=O)=C(C)N1 BB17-1648 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.22 CC1=CC(C=O)=C(C)S1 BB05-1785 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.132 CC1=CNC(C=O)=C1C BB01-5084 [1,0,0,0,1,0|2,0,0]=4