0 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [1,0,0,0,0,0|0,0,0]=1 34 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [1,0,0,0,0,0|0,0,1]=2 35 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [1,0,0,0,0,0|0,0,2]=3 36 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [1,0,0,0,0,0|2,1,0]=4 46 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [1,0,0,0,0,0|0,0,2]=3 49 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,0,0,0|1,1,0]=3 61 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.265 COC1=C(OC=CC1=O)CO CNP0382877.0 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.265 COC1=CC=CC(=C1OC)O CNP0219911.0 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.265 [2H]C1=CC=CC(=C1OC)OC CNP0522094.0 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.267 CCC1=CC=CC(=C1N)CC CNP0066984.0 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.267 COC1=CC=CC(=C1O)C=O CNP0274414.0 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.267 COC1=CC=CC(=C1O)OC CNP0421772.0 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.267 COC1=CC=NC(=C1O)OC CNP0152783.0 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.267 O=CC1=CC=CC(=C1O)C=O CNP0062742.0 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [0,1,0,0,0,0|1,0,0]=2 111 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.106 NC1=CC=CC2=C1OCO2 CNP0040687.0 [0,0,0,1,0,0|3,0,0]=4 113 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,0,0,0,1,0|2,1,0]=4 115 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [0,0,0,0,1,0|1,0,2]=4 116 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,0,0,0,1,0|0,0,2]=3 117 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,0,0,0,1,0|3,0,0]=4 118 B11R1.381 COC1=C(C(=O)C=CC=C1)O CNP0528204.0 [0,0,0,0,0,1|2,0,0]=3 119 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [1,0,1,0,0,0|2,0,0]=4 120 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,0,1,0,0,0|1,0,1]=4 121 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [1,0,1,0,0,0|1,0,1]=4 122 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [1,0,1,0,0,0|0,0,1]=3 123 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|1,0,1]=4 124 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|1,0,0]=3 125 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,1,0,0,0|1,0,1]=4 126 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,0]=3 127 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 128 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 143 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [2,0,0,0,0,0|1,0,1]=4 144 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [2,0,0,0,0,0|0,0,0]=2 146 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [2,0,0,0,0,0|0,0,2]=4 147 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [2,0,0,0,0,0|1,0,1]=4 152 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [2,0,0,0,0,0|1,0,0]=3 159 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|1,1,0]=4 160 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [2,0,0,0,0,0|1,0,1]=4 164 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [2,0,0,0,0,0|1,0,0]=3 165 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [2,0,0,0,0,0|1,0,0]=3 166 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [2,0,0,0,0,0|0,0,0]=2 167 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [2,0,0,0,0,0|1,0,1]=4 175 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [2,0,0,0,0,0|1,0,1]=4 176 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.8 CC1=CC(=O)C=C(O1)CO CNP0356793.0 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.8 CC1=CC(=O)OC(=C1)CBr CNP0047993.0 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [1,1,0,0,0,0|0,0,2]=4 183 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [1,1,0,0,0,0|0,0,2]=4 184 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [1,1,0,0,0,0|0,0,2]=4 185 B10R1.8 O=C1C=C(C=C(O1)CO)O CNP0275450.0 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.8 O=C1C=C(OC(=C1)CO)O CNP0300817.0 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.22 CC1=C(C(=O)NC(=O)N1)O CNP0368070.0 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.22 C[C@H]1OC(=CC(=O)[C@@H]1O)O CNP0109001.1 [1,1,0,0,0,0|0,0,2]=4 225 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [1,1,0,0,0,0|0,0,2]=4 231 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [1,1,0,0,0,0|0,0,2]=4 232 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.119 C[C@H]1OC=C(C(=O)[C@@H]1O)O CNP0342251.1 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [1,1,0,0,0,0|0,0,0]=2 243 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|1,1,0]=4 270 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.34 CCC1=C(C(=O)C(C1)C)O CNP0233549.0 [0,1,0,0,1,0|0,0,2]=4 274 B10R1.34 CCC1=C(C(=O)[C@H](O1)C)O CNP0251940.1 [0,1,0,0,1,0|0,0,1]=3 275 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,0,1,0|0,0,2]=4 276 B10R1.194 CC(C)C1=C(C(=O)CC1)O CNP0240398.0 [0,1,0,0,1,0|0,0,2]=4 277 B10R1.256 CCC1=C(C(=O)C[C@@H]1C)O CNP0105899.1 [0,1,0,0,1,0|0,0,2]=4 278 B10R1.256 CCC1=C(C(=O)NC1=O)C CNP0185168.0 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.256 CCC1=C(C(=O)OC1=O)C CNP0355701.0 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.876 CC(C)C1=C(C(=O)C=CC=C1)O CNP0386657.0 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.1021 C=C(C)C1=CC=CC(=O)C(=C1)O CNP0310811.0 [0,1,0,0,0,1|1,0,1]=4 282 B12R1.1021 CC(=O)C1=CC=CC(=O)C(=C1)O CNP0339263.0 [0,1,0,0,0,1|1,0,1]=4 283 B12R1.1021 CC(C)C1=CC=CC(=O)C(=C1)O CNP0584336.0 [0,1,0,0,0,1|1,0,0]=3 284 B12R1.14 CCC1=C(C(=C(C(=O)O1)C)O)C CNP0147337.0 [0,2,0,0,0,0|1,0,1]=4 285 B12R1.40 COCC1=CC(=CC(=C1O)Cl)O CNP0216728.0 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.235 CC1=CC(=C(C(=C1)CCl)O)C=O CNP0066874.0 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.235 CC1=CC(=C(C(=C1)CO)O)C=O CNP0030692.0 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.235 CCC1=C(C(=CC(=O)O1)OC)C CNP0342426.0 [0,2,0,0,0,0|1,0,1]=4 289 B12R1.235 CCC1=NC(=CC(=C1O)CBr)C CNP0116065.0 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.235 COC1=CC(=CC(=C1O)C=O)Br CNP0519100.0 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.705 CCC1=C(C(=O)C=C(C1=O)O)O CNP0131476.0 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.705 COC1=C(C(=O)C=C(C1=O)C)O CNP0171369.0 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.25 OCCCC1=CC=CC(=C1O)O CNP0276683.0 [0,2,0,0,0,0|1,0,1]=4 295 B12R1.224 C[C@H](O)CC1=CC=CC(=C1O)O CNP0207246.1 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.280 CCCC1=CC=CC(=C1O)OC CNP0604349.0 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.280 CNCC1=CC=CC(=C1O)OC CNP0545816.0 [0,2,0,0,0,0|1,0,1]=4 298 B12R1.542 CCCC1=CC=CC(=C1CO)O CNP0514197.0 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.98 COC1=C(C(=O)C(=CC1=O)C)O CNP0304377.0 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.741 COC1=C(C(=O)C=CC1=O)OC CNP0305061.0 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.440 COC1=CC=CC(=C1O)C(=O)O CNP0153479.0 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,2,0,0,0,0|1,0,1]=4 303 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [0,2,0,0,0,0|1,0,1]=4 304 B12R1.1879 COC1=CC=CC(=C1CO)C=O CNP0110792.0 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.1879 COC1=CC=CC(=C1OC)C=O CNP0172526.0 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.275 O=C1C=CC=CC(=C1O)O CNP0516954.0 [0,0,1,1,0,0|0,0,2]=4 307 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,0,1,1,0,0|1,0,1]=4 308 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [0,0,1,1,0,0|1,0,1]=4 309 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,0,1,1,0,0|2,0,0]=4 310 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|2,0,0]=4 311 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|2,0,0]=4 312 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,0]=3 313 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|2,0,0]=4 314 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|2,0,0]=4 315 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|2,0,0]=4 316 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|2,0,0]=4 317 B12R2.82 CC1=CC=C2CCCC2=C1O CNP0311243.0 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.315 O=CC1=CC=CC2=C1CCC2 CNP0274252.0 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [1,0,0,0,1,0|1,0,1]=4 320 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,0,1,0|0,0,2]=4 321 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,0,0,0,1,0|2,0,0]=4 322 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,0,0,0,1,0|2,0,0]=4 323 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,0,0,0,1,0|1,0,1]=4 324 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,0,0,0,1,0|2,0,0]=4 325 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,0,1,0|1,0,1]=4 326 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [1,0,0,0,1,0|2,0,0]=4 327 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [1,0,0,0,1,0|2,0,0]=4 328 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,0,1,0|1,0,1]=4 329 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,0,1,0|1,0,1]=4 330 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,0,1,0|0,0,2]=4 331 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [1,0,0,0,1,0|0,0,1]=3 332 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [1,0,0,0,1,0|0,1,1]=4 333 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [1,0,0,0,1,0|1,0,0]=3 334 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [1,0,0,0,1,0|1,0,1]=4 335 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,0,0,0,2,0|1,0,1]=4