0 B11R1.41 CCOC1=C(C=O)C=CC=C1 26869 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 COC1=C(CCN)C=CC=C1 32490 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.4 NCCC1=C(N)C=CC=C1 17930 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.4 NOCC1=CC=CC=C1Cl 28477 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 NOCC1=CC=CC=C1F 29333 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 O\N=C\C1=C(O)C=CC=C1 22050 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.20 CCC1=C(C#N)C=CC=C1 22426 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.20 CNC1=NC=CC=C1CO 28935 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.20 COC1=C(C=O)N=CC=C1 17464 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.20 COC1=C(CO)C=CC=C1 14050 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.20 COC1=C(OC)C=CC=C1 27166 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.20 COC1=CC=NC=C1C=O 17209 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.20 COC1=NC=CC=C1C=O 17146 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.20 N#CC1=C(CCl)C=CC=C1 17032 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 20809 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 27387 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.77 COC1=C(C(O)CN)C=CC=C1 23755 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 27444 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.283 NCCC1=C([N+](=O)[O-])C=CC=C1 18757 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.1 NCC1=NNC2=CC=CC=C21 19307 [0,0,0,1,0,0|2,0,1]=4 20 B12R2.1 NCC1CCC2=C1C=CC=C2 19369 [0,0,0,1,0,0|1,0,0]=2 21 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [0,0,0,1,0,0|1,0,0]=2 22 B12R2.24 NC1COC2=C(C=CC=C2)C1 20658 [0,0,0,1,0,0|0,0,0]=1 23 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 14365 [0,0,0,1,0,0|2,0,1]=4 24 B12R2.24 O=C1COC2=C(C=CC=C2)N1 24676 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.41 C1=CC=C2NCCNCC2=C1 19927 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.315 COC1=C2CCNC2=CC=C1 20305 [0,0,0,1,0,0|0,0,0]=1 27 B12R2.315 COC1=C2CCNC2=CC=C1 29848 [0,0,0,1,0,0|0,0,0]=1 28 B12R2.315 COC1=C2NCCC2=CC=C1 20593 [0,0,0,1,0,0|2,0,0]=3 29 B12R2.315 COC1=CC=CC2=C1C=CN2 21948 [0,0,0,1,0,0|0,0,2]=3 30 B12R2.315 COC1=CC=CC2=C1NC=C2 22066 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.315 N#CC1=C2CCNC2=CC=C1 20279 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.8 CCCC1=CC=CC=C1 27219 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CCCC1=CC=CC=C1 29530 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 CCOC1=CC=CC=C1 30856 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 CNCC1=CC=CC=C1 23236 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 NCCC1=CC=CC=C1 21747 [2,0,0,0,0,0|0,0,0]=2 39 B9R1.8 NCCC1=NC=CN=C1 17453 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.8 NCCC1=NC=CN=C1 23818 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 NOCC1=CC=CC=C1 02279 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 OCCC1=CC=CC=C1 01623 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 ONCC1=CC=CC=C1 31261 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.15 CC1=C(CN)C=CN=C1 18175 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 CCC1=C(O)C=CC=C1 26809 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.15 COC1=C(Br)C=CC=C1 30420 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 COC1=C(F)C=CC=C1 30023 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.15 COC1=C(I)C=CC=C1 26768 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 COC1=C(I)C=CC=N1 17151 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 COC1=C(I)N=CC=C1 17657 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 COC1=C(N)C=CN=C1 26333 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 COC1=CC=CN=C1Br 17332 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 COC1=CC=CN=C1C 27922 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 COC1=CC=CN=C1N 26214 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.15 COC1=CC=NC=C1Br 18025 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 COC1=CC=NC=C1I 20132 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=NC=C1N 26215 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.15 COC1=NC=CC=C1Br 18024 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 COC1=NC=CC=C1N 30330 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.15 COC1=NC=CN=C1N 26188 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [2,0,0,0,0,0|0,0,2]=4 67 B9R1.15 NCC1=C(Cl)C=CC=N1 19564 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 NCC1=C(Cl)N=CC=C1 19530 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [2,0,0,0,0,0|1,0,1]=4 70 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 OCC1=C(F)C=CC=C1 31154 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 OCC1=NC=CC=C1O 27043 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20839 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 20840 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 24849 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 21887 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 27388 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [1,1,0,0,0,0|0,0,0]=2 79 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 27985 [1,1,0,0,0,0|0,0,2]=4 81 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 18980 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.37 COC1=C(C=O)C=CC(O)=C1 12972 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.37 COC1=C(C=O)C=CC(O)=C1 16885 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.37 COC1=C(CO)C=CC(Br)=C1 29028 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.37 COC1=C(CO)C=CC(Cl)=C1 28645 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.37 COC1=C(CO)C=CC(O)=C1 28285 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.37 COC1=CC=C(Br)C=C1C=O 26876 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.37 COC1=CC=C(Br)C=C1OC 27167 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.53 COC1=C(B(O)O)C=CC=C1 30879 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.53 COC1=C(B(O)O)C=CC=C1 31432 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.53 COC1=C(C(=O)O)C=CC=C1 24458 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.53 COC1=CC=CC=C1C(=N)N 18733 [1,1,0,0,0,0|0,0,1]=3 93 B11R1.265 COC1=C(Br)C=CC=C1C#N 29219 [1,1,0,0,0,0|0,0,2]=4 94 B11R1.265 COC1=CC=CC(Br)=C1C=O 19994 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.265 COC1=CC=CC(Cl)=C1C=O 20014 [1,1,0,0,0,0|1,0,1]=4 96 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 16828 [0,2,0,0,0,0|1,0,1]=4 97 B13R1.89 COC1=C([C@H](N)C(=O)O)C=CC=C1 16831 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.380 CCOC1=C(CC(=O)O)C=CC=C1 27416 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.464 COC1=CC=CC=C1C(=O)CC#N 17449 [0,2,0,0,0,0|0,0,2]=4 100 B13R1.2209 COC1=C(C(=O)CBr)C=C(F)C=C1 24998 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 26845 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.355 C=CCC1=CC(C=O)=CC=C1OC 26596 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 26532 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.381 NCCC1=C(C(F)(F)F)C=CC=C1 19878 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.280 C=CC1=CC(OC)=CC=C1N 24060 [0,0,1,1,0,0|0,0,2]=4 106 B11R2.10 NC1CC2=C(C=CC=C2)C1 17047 [1,0,0,1,0,0|0,0,0]=2 107 B11R2.10 NC1CC2=C(C=CC=C2)C1 29942 [1,0,0,1,0,0|0,0,0]=2 108 B11R2.10 O=C1CC2=C(C=CC=C2)C1 14364 [1,0,0,1,0,0|1,0,1]=4 109 B11R2.10 OC1CC2=C(C=CC=C2)C1 07203 [1,0,0,1,0,0|1,0,0]=3 110 B11R2.106 BrC1=C2CCNC2=CC=C1 20239 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.106 CC1=C2NCCC2=CC=C1 20604 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.106 CC1=CC=CC2=C1C=CN2 21994 [1,0,0,1,0,0|0,0,2]=4 113 B11R2.106 ClC1=C2CCNC2=CC=C1 17702 [1,0,0,1,0,0|1,0,0]=3 114 B11R2.106 FC1=C2CCNC2=CC=C1 20288 [1,0,0,1,0,0|1,0,0]=3 115 B11R2.106 IC1=C2CCNC2=CC=C1 20297 [1,0,0,1,0,0|1,0,0]=3 116 B11R2.106 OC1=CC=CC2=C1C=CN2 21841 [1,0,0,1,0,0|0,0,2]=4 117 B11R2.1 NC1CCC2=NC=CC=C21 20462 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.1 NC1COC2=CC=CC=C21 17963 [1,0,0,1,0,0|0,0,0]=2 119 B11R2.1 O=C1CCC2=C1C=CC=C2 21893 [1,0,0,1,0,0|2,0,0]=4 120 B11R2.1 O=C1NCC2=CC=CC=C12 31367 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 25880 [0,1,0,1,0,0|1,0,1]=4 122 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 17962 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.162 CC1=CC2=C(C=C1)CCNC2=O 20605 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 20590 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.162 O=C1NCCC2=CC=C(Br)C=C12 20584 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 19174 [0,1,0,1,0,0|1,0,0]=3 127 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 20525 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.1 NCCC1=CNC2=C1C=CC=C2 21918 [0,1,0,1,0,0|1,0,1]=4 129 B13R2.1 NCCC1=CNC2=C1C=CC=C2 22055 [0,1,0,1,0,0|1,0,1]=4 130 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 17069 [0,1,0,1,0,0|1,0,1]=4 131 B13R2.57 BrCC1CCC2=CC=CC=C2O1 26302 [0,1,0,1,0,0|2,0,0]=4 132 B13R2.57 NCC1CCC2=CC=CC=C2C1 19302 [0,1,0,1,0,0|1,0,0]=3 133 B13R2.57 NCC1COC2=C(C=CC=C2)C1 20659 [0,1,0,1,0,0|0,0,0]=2 134 B13R2.57 NCC1COC2=C(C=CC=C2)O1 28487 [0,1,0,1,0,0|0,0,0]=2 135 B13R2.57 NCC1COC2=CC=CC=C2O1 17079 [0,1,0,1,0,0|0,0,0]=2 136 B13R2.573 COC1=C2OCC(N)C2=CC=C1 20594 [0,1,0,1,0,0|0,0,0]=2 137 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 19250 [0,1,0,1,0,0|1,0,0]=3 138 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 20497 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 20517 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.5179 O=C1NCCC2=CC(O)=CC=C12 20537 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.5569 O=[N+]([O-])C1=C2CCNC2=CC=C1 20317 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.342 O=C1NCCC2=C1C=CC=C2Cl 20395 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.33 CC1=C(CCN)SC=N1 26241 [1,0,0,0,1,0|2,0,0]=4