0 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 BB55-8755 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 BB05-0996 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.166 CN(C)C1=CC=C(Br)C=C1N BB12-2661 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 BB55-7325 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 BB57-2410 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 CC(C)C1=CN=C(O)N=C1 BB57-2411 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.25 CC1=CC=C(NN)C(Br)=C1 BB56-0056 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.25 CC1=CC=C(NN)C(C)=C1 BB56-2530 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.25 CNC1=C(C)C=C(Cl)C=C1 BB01-7288 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.25 COC1=C(I)C=C(N)C=C1 BB57-5849 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.25 COC1=CC=C(C)N=C1Br BB57-4122 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.25 COC1=CN=C(Cl)C=C1O BB31-9319 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.25 COC1=CNC(C)=CC1=O BB26-0387 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.25 COC1=COC(C)=CC1=O BB26-0386 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.25 NCC1=CC=C(Br)C=C1F BB12-2272 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.25 NCC1=CC=C(O)C=C1O BB12-1397 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.25 O=CC1=C(O)C=C(F)C=C1 BB20-3279 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BB55-1646 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.61 CC(O)C1=CC=CN=C1Cl BB31-1901 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.61 CC1=CC=CC=C1C(C)N BB58-0605 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.61 CN(C)C1=C(N)C=NC=C1 BB55-4944 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.61 CN(C)C1=NC=CC=C1N BB12-1642 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.61 NC(=O)C1=CC=CC=C1O BB01-7441 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.57 CC1=CC=C([N+](=O)[O-])C(CO)=C1 BB55-7488 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1C BB12-4724 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N BB05-1929 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N BB54-0103 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.452 CN(C)C1=CC=C(C=O)C=C1Br BB58-0145 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 BB32-1283 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 BB17-0815 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.1000 CC(C)N1C(=S)NC(=O)C=C1O BB05-3286 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 BB56-2161 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 BB05-3119 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.612 CC1=NOC2=CC(O)=CC=C21 BB55-8637 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 BB31-1383 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB26-0144 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.1317 ClC1=CC(Cl)=C(C2CO2)C=C1 BB31-8358 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.59 CC1=NN(C(C)C)C(N)=C1 BB05-2498 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.59 CC1=NN(C(C)C)C(N)=C1 BB55-6337 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.194 CC1=C(Br)C(C(C)C)=NN1 BB58-1083 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 BB12-1696 [0,0,0,0,0,1|2,0,1]=4 46 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O BB12-2649 [0,0,0,0,0,1|1,0,1]=3 47 B12R1.233 CC1=CC=C(OC(F)F)C(N)=C1 BB05-1378 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.1 CC1=CC=C(CCl)C=N1 BB58-3093 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 CC1=CC=C(CN)C=N1 BB58-3095 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.1 CC1=CC=C(CO)C=N1 BB58-3092 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 NCC1=CC=C(N)C=C1 BB54-2061 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 CC(N)C1=CC=NC=C1 BB05-0766 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.69 CC1=C(Br)C=C(N)C=C1 BB54-0271 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 59 B9R1.69 CC1=CN=C(C)C=C1N BB32-1073 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.3 CC(C)C1=CC=C(NN)C=C1 BB56-1861 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.3 CN(C)C1=NC=C(CO)C=C1 BB57-4141 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.3 CNC1=CC=C(N(C)C)C=C1 BB32-2491 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.21 CC(=O)C1=CC(C)=C(C)C=C1 BB55-3428 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BB54-1921 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 BB17-1112 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 BB53-1533 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 BB05-4777 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.22 CC1=CC=C(C(N)C#N)C=C1 BB58-2838 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 BB32-1985 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BB55-1641 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB32-1137 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB57-6723 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 BB53-1861 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.37 COC1=C(OC)C=C(I)C=C1 BB12-5007 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.81 CCNC1=CC=C(F)C=C1Cl BB01-7294 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.81 CCOC1=C(N)C=C(C)C=C1 BB17-1893 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.81 CCOC1=C(N)C=C(Cl)C=C1 BB17-1894 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.81 CCOC1=CC=C(F)C=C1N BB05-4827 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 BB54-1777 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.277 CC1=CC(O)=C(C=O)C=C1Br BB17-1091 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.279 COC1=CC(C)=C(CN)C=C1 BB55-8670 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.53 CC(C)C1=CC=CC=C1NN BB56-0329 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.53 COC1=CC=CC=C1C(C)N BB58-0606 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.87 CC(C)(O)C1=CC=CC=C1N BB57-1301 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BB01-7439 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 BB55-1055 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.222 CCC(N)C1=CC=CC=C1C BB58-0612 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.222 NC(CO)C1=CC=CC=C1F BB56-2224 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.222 NCC(O)C1=C(F)C=CC=C1 BB31-5644 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.51 CC(C)OC1=CC=C(Br)C=C1C#N BB55-4309 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.51 CC(C)OC1=CC=C(Cl)C=C1C=O BB05-1275 [0,1,0,0,0,1|1,0,1]=4 105 B13R1.51 COC1=CC(N)=CC=C1OC(C)C BB57-6617 [0,1,0,0,0,1|1,0,0]=3 106 B13R1.653 CC(C)OC1=CC=C(C=O)C=C1Br BB17-1887 [0,1,0,0,0,1|1,0,1]=4 107 B13R1.652 COC1=CC(O)=C(C(C)=O)C=C1Cl BB54-4755 [0,2,0,0,0,0|1,0,1]=4 108 B13R1.1807 CC1=CC(C)=C(C)C=C1C(N)CO BB56-2232 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 BB54-4799 [0,2,0,0,0,0|1,0,1]=4 110 B11R2.34 NC1=CC=C(C2CC2)C=C1 BB31-8016 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.36 BrC1=CC2=C(C=C1)CCO2 BB31-4067 [1,0,0,1,0,0|1,0,0]=3 112 B11R2.36 NC1=CC=C2CCNC2=C1 BB55-7558 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.55 ClC1=C(C2CO2)C=CC=C1 BB32-3052 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 BB10-0258 [0,0,0,1,0,1|1,0,1]=4 115 B13R2.3683 CC1=CC=C2NC(=S)COC2=C1 BB10-0376 [0,0,0,1,0,1|1,0,1]=4 116 B13R2.3683 CC1CNC2=CC(Cl)=CC=C2O1 BB01-5597 [0,0,0,1,0,1|2,0,0]=4 117 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 BB12-2913 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.35 CC1=NN(C(C)C)C=C1 BB57-1538 [1,0,0,0,1,0|2,0,0]=4 119 B9R1.35 CC1=NNC(C(C)C)=C1 BB12-3662 [1,0,0,0,1,0|2,0,0]=4 120 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,0,0,0,0,1|1,0,1]=4 121 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 BB58-0485 [1,0,0,0,0,1|2,0,0]=4 122 B11R1.86 CC(C)NC1=C(N)C=CC=C1 BB32-3847 [1,0,0,0,0,1|1,0,0]=3 123 B11R1.86 CC(C)OC1=CC=CC=C1N BB57-2916 [1,0,0,0,0,1|1,0,0]=3 124 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 BB58-0486 [1,0,0,0,0,1|2,0,0]=4 125 B11R1.74 CC(C)C1=NC(O)=CC(=O)N1 BB57-1449 [0,0,0,0,1,1|2,0,0]=4 126 B11R1.74 CC1=CC(N)=NC(C(C)C)=N1 BB32-2535 [0,0,0,0,1,1|2,0,0]=4 127 B11R1.74 CC1=NC(O)=CC(C(C)C)=N1 BB53-1355 [0,0,0,0,1,1|2,0,0]=4 128 B13R1.164 CC(C)CNC1=CC=C(F)C=C1Cl BB01-7302 [0,0,0,0,0,2|2,0,0]=4