0 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.280 COC1=CC=C(C(=N1)OC)N CNP0606366.0 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.280 O=C1C=CC(=CC1=NO)CO CNP0510804.0 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.280 OCC1=CC(=NO)C(C=C1)O CNP0608822.0 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.30 CN=C1NC(=NC=C1O)O CNP0566412.0 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,0,0,0,0,0|0,0,0]=1 34 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,0,0,0,0,0|0,0,2]=3 37 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,0,0,0,0,0|0,0,2]=3 48 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [1,0,0,0,0,0|0,0,0]=1 49 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,0,0,0,0,0|0,0,2]=3 54 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,0,0,0,0,0|0,0,2]=3 74 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,0,0,0,0,0|0,0,0]=1 76 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,1,0,0,0,0|0,0,2]=3 84 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,1,0,0,0,0|0,0,1]=2 86 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,1,0,0,0,0|0,0,2]=3 87 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,1,0,0,0,0|0,0,0]=1 88 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.78 C=CC1=CC=C(C=C1OC)OC CNP0270983.0 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.78 CCC1=CC=C(C(=C1)CC)CC CNP0612118.0 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.78 COC1=CC=C(C(=C1)OC)C#N CNP0189009.0 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.78 COC1=CC=C(C(=C1)OC)C=O CNP0303686.0 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.78 COC1=CC=C(C=C1OC)C=O CNP0216130.0 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.270 CCOC1=CC(=CC=C1O)C=O CNP0155747.0 [0,1,0,0,0,0|0,0,2]=3 101 B12R1.286 C=CCC1=CC(C(=O)C=C1)OC CNP0552207.0 [0,1,0,0,0,0|1,0,2]=4 102 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.286 CC#CC1=CC=C(C(=C1)OC)O CNP0612156.0 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.286 CCC1=CC(=CC=C1O)CCN CNP0541887.0 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [0,1,0,0,0,0|1,0,2]=4 107 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [0,1,0,0,0,0|0,0,1]=2 109 B12R1.286 COC1=CC(=CC=C1O)C=NO CNP0416336.0 [0,1,0,0,0,0|0,0,1]=2 110 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [0,1,0,0,0,0|0,0,1]=2 111 B12R1.286 COC1=CC(=CC=C1O)CCN CNP0308219.0 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [0,1,0,0,0,0|0,0,0]=1 113 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.300 CCC1=CC(=C(C(=C1)OC)O)C CNP0518382.0 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.300 CCC1=CC(=C(C(=O)O1)C)OC CNP0292133.0 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.300 COC1=C(C(=O)OC(=C1)CO)C CNP0354954.0 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.300 COC1=CC(=C(C(=C1)OC)C)O CNP0284366.0 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.300 COC1=CC(=CC(=C1O)Br)C=O CNP0317155.0 [0,1,0,0,0,0|0,0,2]=3 119 B12R1.300 COC1=CC(=CC(=C1O)I)C=O CNP0268105.0 [0,1,0,0,0,0|0,0,2]=3 120 B12R1.300 COC1=CC(=CC(=C1O)O)C=O CNP0377931.0 [0,1,0,0,0,0|0,0,2]=3 121 B12R1.300 O=CC1=CC(=CC(=C1O)O)CO CNP0095333.0 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.449 COC1=CC(=C(C=C1Br)Br)OC CNP0032286.0 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.449 COC1=CC(=C(C=C1O)Br)C=O CNP0403804.0 [0,1,0,0,0,0|0,0,2]=3 124 B12R1.449 COC1=CC(=C(C=C1O)Cl)C=O CNP0154420.0 [0,1,0,0,0,0|0,0,2]=3 125 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1O)CO CNP0520804.0 [0,1,0,0,0,0|2,0,0]=3 127 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,0,1,0,0,0|1,0,2]=4 128 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [0,0,0,1,0,0|1,0,1]=3 129 B12R2.44 N#CC1=CC=C2OCOC2=C1 CNP0231839.0 [0,0,0,1,0,0|1,0,1]=3 130 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [0,0,0,1,0,0|0,0,2]=3 131 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [0,0,0,1,0,0|0,0,2]=3 132 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,0,0,1,0,0|1,0,1]=3 133 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,0,0,1,0,0|0,0,0]=1 134 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [1,0,1,0,0,0|2,0,0]=4 135 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [1,0,1,0,0,0|2,0,0]=4 136 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [2,0,0,0,0,0|1,0,1]=4 137 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [2,0,0,0,0,0|0,0,2]=4 138 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [2,0,0,0,0,0|0,0,0]=2 147 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [2,0,0,0,0,0|0,0,0]=2 150 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [2,0,0,0,0,0|1,0,1]=4 152 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [2,0,0,0,0,0|0,0,2]=4 154 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [2,0,0,0,0,0|0,0,0]=2 156 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [2,0,0,0,0,0|1,1,0]=4 162 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [2,0,0,0,0,0|0,0,0]=2 166 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [2,0,0,0,0,0|0,0,2]=4 167 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [2,0,0,0,0,0|1,0,1]=4 169 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [2,0,0,0,0,0|0,1,0]=3 172 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [2,0,0,0,0,0|0,0,0]=2 185 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [2,0,0,0,0,0|0,0,2]=4 187 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [2,0,0,0,0,0|0,0,2]=4 188 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [2,0,0,0,0,0|0,0,0]=2 195 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [2,0,0,0,0,0|1,1,0]=4 205 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [2,0,0,0,0,0|0,0,0]=2 207 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [2,0,0,0,0,0|0,0,2]=4 219 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [2,0,0,0,0,0|0,0,0]=2 224 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|0,0,2]=4 239 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|0,0,0]=2 241 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [2,0,0,0,0,0|1,0,0]=3 242 B11R1.8 COC1=C(C(=O)OC(=C1)C)C CNP0157461.0 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.8 COC1=CC(=CC(=C1C)O)C CNP0174177.0 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.8 COC1=CC(=CC(=C1C)O)O CNP0262935.0 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [1,1,0,0,0,0|0,0,0]=2 248 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [1,1,0,0,0,0|0,0,0]=2 249 B11R1.8 COC1=CC(=O)C=C(C1=O)C CNP0357550.0 [1,1,0,0,0,0|0,0,2]=4 250 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.37 COC1=C(CN(C=C1)C)OC CNP0265801.0 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [1,1,0,0,0,0|0,0,1]=3 258 B11R1.37 COC1=CC(=O)C=CC1=[N+]=[N-] CNP0510276.0 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.37 COC1=CCN(C=C1OC)C CNP0568941.0 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [1,1,0,0,0,0|0,0,2]=4 267 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [1,1,0,0,0,0|0,0,2]=4 283 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [1,1,0,0,0,0|0,0,0]=2 289 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [1,1,0,0,0,0|0,0,2]=4 290 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.9 CCC1=CC(=CC(=C1)CC)C CNP0142483.0 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.9 CCC1=CC(=CC(=C1)CC)O CNP0202941.0 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.9 CCC1=CC(=CC(=O)O1)OC CNP0076892.0 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.9 COC1=CC(=CC(=C1)C=O)O CNP0302868.0 [1,1,0,0,0,0|0,0,2]=4 296 B11R1.9 COC1=CC(=CC(=C1)CO)O CNP0348183.0 [1,1,0,0,0,0|0,0,0]=2 297 B11R1.9 COC1=CC(=CC(=C1)OC)C CNP0159302.0 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.9 COC1=CC(=CC(=C1)OC)O CNP0317816.0 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.9 COC1=CC(=O)OC(=C1)CO CNP0378907.0 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.189 COC1=CC=CC(=C1)CC#N CNP0143135.0 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.189 COC1=CC=CC(=C1)CCO CNP0066003.0 [1,1,0,0,0,0|0,0,0]=2 302 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [1,1,0,0,0,0|0,0,2]=4 304 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [1,1,0,0,0,0|0,0,2]=4 306 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [1,1,0,0,0,0|0,0,1]=3 307 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.267 CCC1=CC=CC(=C1N)CC CNP0066984.0 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.267 COC1=CC=CC(=C1C)OC CNP0500612.0 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.267 COC1=CC=CC(=C1O)C=O CNP0274414.0 [1,1,0,0,0,0|0,0,2]=4 313 B11R1.267 COC1=CC=CC(=C1O)OC CNP0421772.0 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.14 C=CC1=CC(=C(C(=C1)Br)O)O CNP0580129.0 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.14 CC1=CC(=CC(=C1O)C)C=O CNP0331607.0 [1,1,0,0,0,0|0,0,2]=4 316 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.14 N#CC1=CC(=C(C(=C1)O)O)O CNP0123806.0 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.14 O=CC1=CC(=C(C(=C1)Br)O)O CNP0146798.0 [1,1,0,0,0,0|0,0,2]=4 319 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)O CNP0306277.0 [1,1,0,0,0,0|0,0,2]=4 320 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)Br CNP0322070.0 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)O CNP0347203.0 [1,1,0,0,0,0|0,0,0]=2 322 B11R1.14 OCC1=CC(=C(C(=C1)Cl)O)O CNP0147248.0 [1,1,0,0,0,0|0,0,0]=2 323 B11R1.14 OCC1=CC(=C(C(=C1)O)O)O CNP0196506.0 [1,1,0,0,0,0|0,0,0]=2 324 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|0,0,2]=4 325 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|0,0,2]=4 326 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,1,0,0,0,0|0,0,1]=3 327 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,1,0,0,0,0|0,0,2]=4 334 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [1,1,0,0,0,0|0,0,0]=2 346 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [1,1,0,0,0,0|0,0,1]=3 352 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [1,1,0,0,0,0|0,0,1]=3 353 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [1,1,0,0,0,0|0,0,1]=3 356 B11R1.278 CC1=C(C(=NO)C=CC1=O)C CNP0222665.0 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [1,1,0,0,0,0|0,0,2]=4 359 B11R1.278 CC1=NC=C(C(=C1O)C)CO CNP0346238.0 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [1,1,0,0,0,0|0,0,2]=4 363 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [1,1,0,0,0,0|0,0,2]=4 365 B11R1.279 CC1=CC(=NO)C=CC1=NO CNP0317320.0 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|0,0,2]=4 372 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|0,0,2]=4 374 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|0,0,0]=2 376 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [1,1,0,0,0,0|1,0,0]=3 378 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O CNP0076310.0 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.13 C[C@H](O)C1=CC=C(C(=C1)[N+](=O)[O-])O CNP0524591.1 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.49 CCC(=O)C1=CC=C(C(=C1)OC)O CNP0146838.0 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.49 CC[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0362761.2 [0,2,0,0,0,0|0,0,0]=2 382 B13R1.49 CC[C@H](O)C1=CC=C(C(=C1)OC)O CNP0362761.1 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.49 COC(=O)C1=CC=C(C(=C1)OC)N CNP0017903.0 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.49 COC(=O)C1=CC=C(C(=C1)OC)O CNP0205762.0 [0,2,0,0,0,0|0,0,1]=3 385 B13R1.49 COC1=CC(=CC=C1O)C(=NO)C CNP0173953.0 [0,2,0,0,0,0|0,0,1]=3 386 B13R1.49 COC1=CC(=CC=C1O)C(=O)CO CNP0379786.0 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.49 COC1=CC(=CC=C1O)C(O)C=O CNP0022427.0 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.49 COC1=CC(=CC=C1O)[C@@H](O)CN CNP0113388.2 [0,2,0,0,0,0|0,0,0]=2 389 B13R1.49 COC1=CC(=CC=C1O)[C@@H](O)CO CNP0116546.1 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.49 COC1=CC(=CC=C1O)[C@H](O)CN CNP0113388.1 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.49 COC1=CC(=CC=C1O)[C@H](O)CO CNP0116546.2 [0,2,0,0,0,0|0,0,0]=2 392 B13R1.50 COC1=CC(=CC=C1C)C(C)(C)O CNP0405242.0 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.298 COC1=C(C(=O)OC(=C1)C(C)O)C CNP0217104.0 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.298 COC1=C(C(=O)OC(=C1)[C@H](C)O)C CNP0217104.1 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CNP0383759.0 [0,2,0,0,0,0|0,0,1]=3 396 B13R1.354 CC=CC1=CC(=CC=C1O)C(=O)O CNP0289208.0 [0,2,0,0,0,0|1,0,1]=4 397 B13R1.354 CCOC1=CC(=CC=C1C)C(C)C CNP0242147.0 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.354 CCOC1=CC(=CC=C1O)C(=O)O CNP0076092.0 [0,2,0,0,0,0|0,0,1]=3 399 B13R1.651 COC1=CC(=C(C=C1C)O)C(C)C CNP0117764.0 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.3091 C=C(C)C1=CC=C(C(=C1)OC)OC CNP0310060.0 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.3091 COC1=CC(=CC=C1C=O)C(C)C CNP0328050.0 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)C CNP0212163.0 [0,2,0,0,0,0|0,0,2]=4 403 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N CNP0186366.0 [0,2,0,0,0,0|0,0,2]=4 404 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)O CNP0328859.0 [0,2,0,0,0,0|0,0,1]=3 405 B13R1.3091 COC1=CC=C(C=C1OC)C(C)O CNP0521065.0 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)C)O CNP0578194.0 [0,2,0,0,0,0|0,0,2]=4 407 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)N)O CNP0315935.0 [0,2,0,0,0,0|0,0,2]=4 408 B13R1.99 COC1=CC(=CC=C1C(C)C)CO CNP0327020.0 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.99 COC1=CC(=CC=C1[N+](=O)[O-])CO CNP0514996.0 [0,2,0,0,0,0|0,0,1]=3 410 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)O CNP0199475.0 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.355 CCOC1=CC(=CC=C1OC)C=O CNP0380632.0 [0,2,0,0,0,0|0,0,2]=4 412 B13R1.386 C=CCC1=CC=C(C(=C1)OC)OC CNP0137352.0 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.386 CC=CC1=CC=C(C(=C1)OC)OC CNP0286991.0 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.386 CCCC1=CC=C(C(=C1)OC)OC CNP0355885.0 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.386 COC1=CC=C(C=C1OC)C=CO CNP0075049.0 [0,2,0,0,0,0|0,0,1]=3 416 B13R1.386 COC1=CC=C(C=C1OC)C=NO CNP0316088.0 [0,2,0,0,0,0|0,0,1]=3 417 B13R1.386 COC1=CC=C(C=C1OC)CC#N CNP0382012.0 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.386 COC1=CC=C(C=C1OC)CC=O CNP0329009.0 [0,2,0,0,0,0|0,0,1]=3 419 B13R1.386 COC1=CC=C(C=C1OC)CCN CNP0332750.0 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.386 COC1=CC=C(C=C1OC)CCO CNP0225714.0 [0,2,0,0,0,0|0,0,0]=2 421 B13R1.434 COC1=CC(=C(C(=C1)OC)OC)C CNP0321950.0 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.434 COC1=CC(=CC(=C1OC)Br)C=O CNP0283025.0 [0,2,0,0,0,0|0,0,2]=4 423 B13R1.434 COC1=CC(=CC(=C1OC)O)C=O CNP0152972.0 [0,2,0,0,0,0|0,0,2]=4 424 B13R1.1249 COC1=CC=C(C(=C1)OC)C=NO CNP0306541.0 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.2200 COC1=CC(=C(C=C1O)OC)OC CNP0202440.0 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.2200 COC1=CC(=C(C=C1OC)C=O)Br CNP0101531.0 [0,2,0,0,0,0|0,0,2]=4 427 B13R1.2200 COC1=CC(=C(C=C1OC)C=O)O CNP0408329.0 [0,2,0,0,0,0|0,0,2]=4 428 B13R1.2430 COC1=CC=C(C=C1[N+](=O)[O-])CO CNP0577869.0 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.384 C=CCC1=CC=C(C(=C1)OCC)O CNP0242687.0 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.384 CC=CC1=CC=C(C(=C1)OCC)O CNP0328675.0 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.384 CCOC1=CC(=CC=C1O)COC CNP0002699.0 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.2431 COC(=O)C1=CC(=CC=C1O)OC CNP0150124.0 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.2900 CCCC1=CC(=C(C=C1S)O)OC CNP0075893.0 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.2900 COC1=CC(=C(C=C1Br)Br)CCN CNP0232264.0 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.52 COC1=CC(=CC=C1Br)CC(=O)O CNP0473704.0 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.52 COC1=CC(=CC=C1O)CC(=O)C CNP0185438.0 [0,2,0,0,0,0|0,0,1]=3 437 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O CNP0188137.0 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.52 COC1=CC(=CC=C1O)CC(C)N CNP0310601.0 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.52 COC1=CC(=CC=C1O)C[C@H](C)O CNP0207715.1 [0,2,0,0,0,0|0,0,0]=2 440 B13R1.387 COCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0550578.0 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.387 O=[N+]([O-])C1=CC(=CC=C1O)CCO CNP0590404.0 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.575 CCOCC1=CC=C(C(=C1)OC)O CNP0232060.0 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.575 CNCCC1=CC=C(C(=C1)OC)O CNP0212498.0 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.575 COC1=C(C#CC(=C1)C=CCO)O CNP0564257.0 [0,2,0,0,0,0|0,0,2]=4 445 B13R1.575 COC1=C(C=CC(C1)C=CCO)O CNP0508404.0 [0,2,0,0,0,0|0,0,2]=4 446 B13R1.575 COC1=CC(=CC=C1C)CCCO CNP0541498.0 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.575 COC1=CC(=CC=C1O)C=CC=O CNP0326347.0 [0,2,0,0,0,0|0,0,2]=4 448 B13R1.575 COC1=CC(=CC=C1O)C=CCO CNP0239078.0 [0,2,0,0,0,0|0,0,0]=2 449 B13R1.575 COC1=CC(=CC=C1O)CC=C=O CNP0144019.0 [0,2,0,0,0,0|0,0,1]=3 450 B13R1.575 COC1=CC(=CC=C1O)CC=CO CNP0508330.0 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.575 COC1=CC(=CC=C1O)CCC=O CNP0299379.0 [0,2,0,0,0,0|0,0,1]=3 452 B13R1.575 COC1=CC(=CC=C1O)CCCO CNP0140320.0 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.1255 C=CCC1=CC=C(C(=C1C)OC)O CNP0138858.0 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.4030 C=CCC1=CC(=C(C(=C1)OC)O)C CNP0558691.0 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.4030 C=CCC1=CC(=C(C(=C1)OC)O)O CNP0312607.0 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.4030 CC=CC1=CC(=C(C(=C1)OC)O)C CNP0555699.0 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.4030 CCCC1=CC(=C(C(=C1)OC)O)O CNP0395113.0 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.4030 COC1=CC(=CC(=C1O)O)CCN CNP0270967.0 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.424 CCC1=NC(=C(C(=C1O)OC)O)C CNP0517873.0 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.424 COC1=CC(=C(C(=C1O)OC)O)C CNP0389704.0 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.425 COC1=CC(=C(C(=C1O)Br)Br)C=O CNP0078423.0 [0,2,0,0,0,0|0,0,2]=4 462 B13R1.425 COC1=CC(=C(C(=C1O)Br)Br)CO CNP0209998.0 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.433 C=CC1=CC(=C(C(=C1)OC)O)OC CNP0127638.0 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.433 CCC1=CC(=C(C(=C1)OC)O)OC CNP0238693.0 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC CNP0265592.0 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.433 COC1=CC(=CC(=C1Cl)OC)CO CNP0275199.0 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.433 COC1=CC(=CC(=C1O)C=O)C=O CNP0113703.0 [0,2,0,0,0,0|0,0,2]=4 468 B13R1.433 COC1=CC(=CC(=C1O)OC)C=O CNP0113041.0 [0,2,0,0,0,0|0,0,2]=4 469 B13R1.433 COC1=CC(=CC(=C1O)OC)CO CNP0268066.0 [0,2,0,0,0,0|0,0,0]=2 470 B13R1.433 COC1=CC(=NO)C=C(C1=O)OC CNP0140571.0 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.2277 COC1=C(C=CC(=C1OC)C=O)O CNP0393026.0 [0,2,0,0,0,0|0,0,2]=4 472 B13R1.2277 COC1=C(N=CC(=C1CO)CO)C CNP0380777.0 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.44 COC(=O)C1=CC=C(O1)CO CNP0322937.0 [0,0,1,1,0,0|1,0,0]=3 474 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|2,0,0]=4 475 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,0,0,1,0,0|1,0,1]=4 476 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,1,0,0|2,0,0]=4 477 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,0,0,1,0,0|1,0,1]=4 479 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,0,0,1,0,0|1,0,0]=3 480 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,1,0,0|0,0,0]=2 481 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|1,0,0]=3 482 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,1,0,1,0,0|0,0,2]=4 483 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 CNP0322148.0 [0,1,0,1,0,0|0,0,2]=4 484 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 CNP0266159.0 [0,1,0,1,0,0|0,0,2]=4 485 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CNP0201380.0 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CNP0322584.0 [0,1,0,1,0,0|0,0,1]=3 487 B13R2.1419 COC1=CC2=C(C=C1OC)CC2 CNP0045450.0 [0,1,0,1,0,0|1,0,0]=3 488 B13R2.449 C=CCC1=CC=C2OCOC2=C1 CNP0320423.0 [0,1,0,1,0,0|1,0,0]=3 489 B13R2.449 C=CC[14C]1=[14CH][14CH]=[14C]2OCO[14C]2=[14CH]1 CNP0508090.0 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.449 CC=CC1=CC=C2OCOC2=C1 CNP0416776.0 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.449 CN=CC1=CC=C2OCOC2=C1 CNP0471034.0 [0,1,0,1,0,0|1,0,1]=4 492 B13R2.449 NCCC1=CC=C2OCOC2=C1 CNP0480168.0 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.449 O=CCC1=CC=C2OCOC2=C1 CNP0277871.0 [0,1,0,1,0,0|0,0,1]=3 494 B13R2.449 OCCC1=CC=C2OCOC2=C1 CNP0131322.0 [0,1,0,1,0,0|0,0,0]=2 495 B13R2.449 ON=CC1=CC=C2OCOC2=C1 CNP0190835.0 [0,1,0,1,0,0|0,0,1]=3 496 B13R2.599 COC1=CC2=C(C=C1O)NC=C2 CNP0018089.0 [0,1,0,1,0,0|1,0,1]=4 497 B13R2.599 COC1=CC2=C(C=CN2)C=C1O CNP0094755.0 [0,1,0,1,0,0|1,0,1]=4 498 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 CNP0179323.0 [0,1,0,1,0,0|0,0,2]=4 499 B13R2.599 O=CC1=CC2=C(C=C1O)OCO2 CNP0167522.0 [0,1,0,1,0,0|0,0,2]=4 500 B13R2.1590 COC1=CC2=C(C=C1C)C(=O)C2 CNP0035660.0 [0,1,0,1,0,0|1,0,1]=4 501 B13R2.1590 COC1=CC2=C(C=C1C)[C@@H](C2)Cl CNP0414182.1 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.1590 COC1=CC2=C(C=C1C)[C@H](C2)Cl CNP0414182.2 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.2749 COC1=C(C=CC2=C1C(=O)C2)Br CNP0157320.0 [0,1,0,1,0,0|1,0,1]=4 504 B13R2.654 O=CC1=CC(=C2OCOC2=C1)Br CNP0233571.0 [0,1,0,1,0,0|0,0,2]=4 505 B13R3.1910 C1=C2CCC2=CC3=C1OCO3 CNP0312540.0 [0,0,0,2,0,0|1,0,0]=3 506 B11R1.265 COC1=C(OC=CC1=O)CO CNP0382877.0 [0,0,0,0,1,1|0,0,1]=3 507 B11R1.265 COC1=CC=CC(=C1OC)O CNP0219911.0 [0,0,0,0,1,1|2,0,0]=4