0 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.3 CC(C)C1=CC=C(CC1)C=O CNP0214622.0 [0,0,0,0,0,0|0,0,4]=4 5 B11R1.3 CC(C)C1=CC=C(CC1)CO CNP0003449.0 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.3 CC(C)C1=CCC(=CC1)C=O CNP0210839.0 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.3 CC(C)C1=CCC(=CC1)CO CNP0359351.0 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.3 CC(C)C1=CCC(CC1)CO CNP0423444.0 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.3 CC(C)C1C=CC(=CC1)CO CNP0077140.0 [0,0,0,0,0,0|0,0,2]=2 10 B11R1.3 CC(C)[C@@H]1C=CC(=CC1)C=O CNP0111961.1 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.3 CC(C)[C@@H]1C=CC(CC1)CO CNP0422013.1 [0,0,0,0,0,0|0,0,4]=4 12 B11R1.3 CC(C)[C@@H]1C=C[C@H](CC1)CO CNP0422013.4 [0,0,0,0,0,0|0,0,4]=4 13 B11R1.3 CC(C)[C@@H]1CC=C(CC1)CO CNP0059431.1 [0,0,0,0,0,0|0,0,4]=4 14 B11R1.3 CC(C)[C@H]1C=C[C@@H](CC1)CO CNP0422013.3 [0,0,0,0,0,0|0,0,4]=4 15 B11R1.3 CC(C)[C@H]1C=C[C@H](CC1)CO CNP0422013.2 [0,0,0,0,0,0|0,0,4]=4 16 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,0,0,0,0,0|1,0,2]=3 21 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,0,0,0,0|0,0,2]=3 38 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,0,0,0,0|1,1,1]=4 45 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|0,0,2]=3 51 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,0,0,0,0,0|1,0,2]=4 52 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|0,0,0]=1 61 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [1,0,0,0,0,0|0,0,2]=3 62 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [1,0,0,0,0,0|0,0,2]=3 63 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,0,0,0,0,0|0,0,0]=1 69 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [1,0,0,0,0,0|0,0,2]=3 73 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [1,0,0,0,0,0|0,0,2]=3 74 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [1,0,0,0,0,0|0,0,2]=3 75 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O CNP0374991.0 [0,1,0,0,0,0|0,0,2]=3 91 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN CNP0350013.0 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O CNP0574788.0 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.48 CC(=O)C1=CC=C(C(=O)O1)CO CNP0139436.0 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [0,1,0,0,0,0|0,0,2]=3 97 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.113 CC(C)C1=CC=C(C=C1)C=NO CNP0403827.0 [0,1,0,0,0,0|0,0,1]=2 99 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,1,0,0,0,0|0,0,1]=2 100 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.113 CN(C)C1=CC=C(C=C1)C=NO CNP0050062.0 [0,1,0,0,0,0|1,0,1]=3 103 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.256 BrC(Br)C1=CC=C(C=C1)C(Br)Br CNP0284083.0 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,1,0,0,0,0|0,0,2]=3 109 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,1,0,0,0,0|0,0,1]=2 110 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,1,0,0,0,0|0,0,1]=2 111 B12R1.256 CC(C)C1=CN=C(C=N1)C(C)C CNP0352769.0 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] CNP0498455.0 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.256 C[S+](C)C1=CC=C(C=C1)[S+](C)C CNP0042891.0 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.256 C[S](C)C1=CC=C(C=C1)[S](C)C CNP0551592.0 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.256 ClC(Cl)C1=CC=C(C=C1)C(Cl)Cl CNP0042469.0 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.452 CC(C)[C@@H]1CCC(=CC1=O)CO CNP0287037.1 [0,1,0,0,0,0|0,0,3]=4 120 B12R1.452 C[C@@H](O)C1=COC(=CC1=O)CO CNP0212626.1 [0,1,0,0,0,0|2,0,0]=3 121 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,0,0,1,0,0|3,0,0]=4 123 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,0,0,0,1,0|2,0,1]=4 124 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,0,0,0,1,0|2,0,1]=4 125 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,0,0,0,0,1|1,0,1]=3 126 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,0,0,0,0,1|0,0,2]=3 127 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,0,0,0,0,1|1,0,0]=2 128 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,0,0,0,0,1|2,0,1]=4 129 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,0,0,0,0,1|2,0,1]=4 130 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,0,0,0,0,1|3,0,0]=4 131 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.4 N=C(N)NC1=CC=C(C=C1)CO CNP0583861.0 [0,0,0,0,0,1|2,0,1]=4 133 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [1,0,1,0,0,0|0,0,2]=4 134 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [1,0,1,0,0,0|0,0,0]=2 135 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [1,0,1,0,0,0|0,0,2]=4 136 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [1,0,1,0,0,0|0,0,2]=4 137 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [1,0,1,0,0,0|0,0,2]=4 138 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [1,0,1,0,0,0|0,0,2]=4 139 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [1,0,1,0,0,0|0,0,2]=4 140 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|0,0,2]=4 141 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|0,0,2]=4 142 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 143 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|0,0,2]=4 144 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|0,0,0]=2 145 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,0]=2 150 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|0,0,0]=2 152 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|0,0,2]=4 169 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|0,0,0]=2 171 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [2,0,0,0,0,0|0,0,2]=4 173 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|2,0,0]=4 181 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [1,1,0,0,0,0|0,0,2]=4 184 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [1,1,0,0,0,0|0,0,0]=2 185 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [1,1,0,0,0,0|0,0,0]=2 201 B11R1.19 CC1=CC[C@@H](C=C1)C(C)(C)O CNP0359689.2 [1,1,0,0,0,0|0,0,2]=4 202 B11R1.19 CC1=CC[C@H](C=C1)C(C)(C)O CNP0359689.1 [1,1,0,0,0,0|0,0,2]=4 203 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|0,0,2]=4 204 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.21 CC1=C(C=C(CC1)C(C)C)O CNP0605783.0 [1,1,0,0,0,0|0,0,2]=4 209 B11R1.21 CC1=C(OC(=CC1)C(C)C)C CNP0229126.0 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|0,0,0]=2 212 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.21 CC1=CC=C(CC1O)C(C)C CNP0592854.0 [1,1,0,0,0,0|0,0,2]=4 215 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|0,0,1]=3 219 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|0,0,0]=2 220 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|0,0,0]=2 224 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [1,1,0,0,0,0|0,0,2]=4 243 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO CNP0556872.0 [0,1,0,0,0,1|1,0,1]=4 244 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(C)C CNP0331599.2 [0,1,0,0,0,1|2,0,0]=4 245 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(C)C CNP0331599.1 [0,1,0,0,0,1|2,0,0]=4 246 B13R1.142 CC(=O)OC1=CC=C(C=C1)CCO CNP0287085.0 [0,1,0,0,0,1|1,0,1]=4 247 B13R1.142 CC(C)CC1=CC=C(C=C1)CC#N CNP0313929.0 [0,1,0,0,0,1|1,0,0]=3 248 B13R1.142 CCOC1=CC=C(C=C1)CC(C)N CNP0191059.0 [0,1,0,0,0,1|2,0,0]=4 249 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O CNP0471633.0 [0,1,0,0,0,1|0,0,1]=3 250 B13R1.585 CC(C)CC1=CC=C(C=C1)[C@H](C)O CNP0358956.1 [0,1,0,0,0,1|0,0,0]=2 251 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O CNP0232023.0 [0,1,0,0,0,1|0,0,1]=3 252 B13R1.585 CC(C)OC1=CC=C(C=N1)C(=O)O CNP0350538.0 [0,1,0,0,0,1|1,0,1]=4 253 B13R1.653 CC(C)OC1=CC=C(C=C1O)CO CNP0438495.0 [0,1,0,0,0,1|0,0,0]=2 254 B13R1.653 CCC1=CC=C(C(=O)O1)CC(C)C CNP0226350.0 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.2176 COC1=CC=CC(=CC1=O)C(C)C CNP0320865.0 [0,1,0,0,0,1|2,0,0]=4 256 B13R1.39 COC1=CC=C(C=C1)C(CO)OC CNP0495050.0 [0,2,0,0,0,0|2,0,0]=4 257 B13R1.39 COC1=CC=C(C=C1)C(OC)OC CNP0234292.0 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.95 O=C1C=C(OC=C1C(O)CO)CO CNP0115808.0 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.537 C#C[C@@H](O)C1=CC=C(C=C1)N(C)C CNP0049156.1 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.537 C#C[C@H](O)C1=CC=C(C=C1)N(C)C CNP0049156.2 [0,2,0,0,0,0|1,0,0]=3 261 B13R1.537 CC(=O)C1=CC=C(C=C1)[C@H](O)CO CNP0118446.1 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.537 CC[C@@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.1 [0,2,0,0,0,0|0,0,1]=3 263 B13R1.537 CC[C@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.2 [0,2,0,0,0,0|0,0,1]=3 264 B13R1.537 CN(C)C1=CC=C(C=C1)C(=NO)Cl CNP0372081.0 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.3088 CC=C(C)C1=CC=C(C(=O)O1)CO CNP0160647.0 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.3088 CCC1=CC=C(OC1=O)[C@H](C)CC CNP0432663.1 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.3088 CC[C@@H](C)C1=CC=C(C(=O)O1)CO CNP0436103.1 [0,2,0,0,0,0|1,0,0]=3 268 B13R1.38 CC(C)(O)C1=CC=C(C(=C1)O)CO CNP0520449.0 [0,2,0,0,0,0|0,0,0]=2 269 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O CNP0058800.0 [0,2,0,0,0,0|0,0,1]=3 270 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O CNP0313898.0 [0,2,0,0,0,0|0,0,1]=3 271 B13R1.338 CC(C)C1=CC=C(C=C1)C(C)(C)C CNP0283042.0 [0,2,0,0,0,0|1,0,0]=3 272 B13R1.338 CC(C)C1=CN=C(C=N1)C(C)(C)O CNP0352776.0 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.120 CC(C)C1=CC=C(C(=C1)O)C(C)C CNP0389590.0 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.120 CC(C)C1=CC=C(C=C1O)C(=O)O CNP0237614.0 [0,2,0,0,0,0|0,0,1]=3 275 B13R1.3091 COC1=CC(=CC=C1C=O)C(C)C CNP0328050.0 [0,2,0,0,0,0|0,0,2]=4 276 B13R1.3380 CCC1=C(C=C(OC1=O)C(C)C)O CNP0285712.0 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.74 CC(C)C1=CC=C(C=C1)CCC=O CNP0002936.0 [0,2,0,0,0,0|0,0,1]=3 278 B13R1.74 CC(C)C1=CC=C(C=C1)OCCO CNP0548598.0 [0,2,0,0,0,0|0,0,0]=2 279 B13R1.74 CCCOC1=CC=C(C=C1)C(C)N CNP0559987.0 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.74 COCCC1=CC=C(C=C1)N(C)C CNP0225724.0 [0,2,0,0,0,0|1,0,0]=3 281 B13R1.99 COC1=CC(=CC=C1C(C)C)C=O CNP0565495.0 [0,2,0,0,0,0|0,0,2]=4 282 B13R1.99 COC1=CC(=CC=C1C(C)C)CO CNP0327020.0 [0,2,0,0,0,0|0,0,0]=2 283 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,0,1,1,0,0|1,0,1]=4 284 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,0,1,1,0,0|0,0,2]=4 285 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|2,0,0]=4 286 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [1,0,0,1,0,0|1,0,0]=3 287 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [1,0,0,1,0,0|1,0,1]=4 288 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [1,0,0,0,1,0|2,0,0]=4 290 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [1,0,0,0,1,0|1,0,0]=3 291 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [1,0,0,0,1,0|2,0,0]=4 292 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [1,0,0,0,1,0|2,0,0]=4 293 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,0,0,0,0,1|0,0,2]=4 294 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,0,0,0,0,1|1,0,1]=4 295 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,0,0,0,1|1,0,1]=4 296 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,0,0,0,0,1|1,0,1]=4 297 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,0,0,0,0,1|0,0,0]=2 298 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [1,0,0,0,0,1|2,0,0]=4 299 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,0,0,0,0,1|0,0,0]=2 300 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,0,0,0,0,1|1,0,0]=3 301 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,0,0,0,0,1|1,0,0]=3 302 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CNP0572774.0 [0,0,0,0,1,1|0,0,2]=4 303 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O CNP0310888.0 [0,0,0,0,0,2|0,0,2]=4