0 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.44 N#CC1=CC=C2OCOC2=C1 CNP0231839.0 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.44 O=CC1=CC=C2C=COC2=C1 CNP0203335.0 [0,0,0,0,0,0|1,0,1]=2 5 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CNP0257577.0 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [0,0,0,0,0,0|1,0,1]=2 8 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [0,0,0,0,0,0|0,0,0]=0 9 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [0,0,0,0,0,0|0,0,0]=0 10 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,0,0,0,0,0|1,0,3]=4 11 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,0,0,0,0,0|0,0,2]=2 12 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.36 N=C1C=CC2=NNOC2=C1 CNP0000847.0 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 NC1=CC=C2N=NOC2=C1 CNP0114153.0 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.36 NC1=CC=C2ON=NC2=C1 CNP0001261.0 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 O=C1C=CC2=NNNC2=C1 CNP0358329.0 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,0,0,0,0,0|1,0,2]=4 18 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,0,0,0,0,0|1,0,2]=4 21 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,0,0,0,0,0|1,0,1]=3 22 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,0,0,0|0,0,1]=2 23 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CNP0365179.0 [0,1,0,0,0,0|1,0,0]=2 24 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,1,0,0,0,0|0,0,0]=1 25 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 CNP0322148.0 [0,1,0,0,0,0|0,0,0]=1 26 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 CNP0266159.0 [0,1,0,0,0,0|0,0,0]=1 27 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CNP0083028.0 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CNP0314403.0 [0,1,0,0,0,0|1,0,1]=3 29 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CNP0201380.0 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CNP0322584.0 [0,1,0,0,0,0|0,0,0]=1 31 B13R2.449 C=CCC1=CC=C2OCOC2=C1 CNP0320423.0 [0,1,0,0,0,0|1,0,0]=2 32 B13R2.449 C=CC[14C]1=[14CH][14CH]=[14C]2OCO[14C]2=[14CH]1 CNP0508090.0 [0,1,0,0,0,0|1,0,0]=2 33 B13R2.449 CC=CC1=CC=C2OCOC2=C1 CNP0416776.0 [0,1,0,0,0,0|1,0,0]=2 34 B13R2.449 CN=CC1=CC=C2OCOC2=C1 CNP0471034.0 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.449 NCCC1=CC=C2OCOC2=C1 CNP0480168.0 [0,1,0,0,0,0|1,0,1]=3 36 B13R2.449 O=CCC1=CC=C2OCOC2=C1 CNP0277871.0 [0,1,0,0,0,0|0,0,0]=1 37 B13R2.449 OCCC1=CC=C2OCOC2=C1 CNP0131322.0 [0,1,0,0,0,0|0,0,2]=3 38 B13R2.449 ON=CC1=CC=C2OCOC2=C1 CNP0190835.0 [0,1,0,0,0,0|0,0,1]=2 39 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 CNP0179323.0 [0,1,0,0,0,0|0,0,0]=1 40 B13R2.599 O=CC1=CC2=C(C=C1O)OCO2 CNP0167522.0 [0,1,0,0,0,0|0,0,0]=1 41 B13R2.654 O=CC1=CC(=C2OCOC2=C1)Br CNP0233571.0 [0,1,0,0,0,0|0,0,0]=1 42 B13R2.2130 O=CC1=CC2=NO[N+](=C2C=C1)[O-] CNP0523480.0 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,0,1,0,0,0|1,0,0]=2 44 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,0,1,0,0,0|1,0,2]=4 45 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.189 COC1=CC=CC(=C1)CCO CNP0066003.0 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,0,1,0,0,0|1,0,0]=2 48 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [0,0,1,0,0,0|2,0,0]=3 50 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,0,1,0,0,0|1,0,1]=3 51 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,0,1,0,0,0|3,0,0]=4 52 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,0,1,0,0,0|2,0,0]=3 56 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [0,0,1,0,0,0|1,0,0]=2 57 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,0,1,0,0,0|1,0,2]=4 58 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [0,0,1,0,0,0|1,0,0]=2 59 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [0,0,1,0,0,0|1,0,0]=2 60 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,0,1,0,0,0|1,0,2]=4 61 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,0,1,0,0,0|0,0,0]=1 62 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,0,1,0,0,0|1,0,1]=3 63 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,0,1,0,0,0|0,0,2]=3 64 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [0,0,1,0,0,0|1,0,0]=2 65 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [0,0,1,0,0,0|2,0,1]=4 66 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,0,1,0,0,0|1,0,1]=3 67 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [0,0,1,0,0,0|1,0,0]=2 68 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [0,0,1,0,0,0|1,0,1]=3 69 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [0,0,1,0,0,0|0,0,0]=1 70 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [0,0,1,0,0,0|1,0,1]=3 71 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,0,1,0,0,0|0,0,2]=3 72 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,0,1,0,0,0|1,0,1]=3 73 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,0,1,0,0,0|2,0,0]=3 75 B11R1.280 O=CC1=C/C(=N/O)/[C@H](C=C1)O CNP0566241.1 [0,0,1,0,0,0|2,0,1]=4 76 B11R1.280 O=CC1=CC(=NO)C(C=C1)O CNP0535658.0 [0,0,1,0,0,0|2,0,1]=4 77 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [0,0,1,0,0,0|2,0,0]=3 78 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [0,0,1,0,0,0|2,0,0]=3 79 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0482903.0 [0,0,1,0,0,0|2,0,1]=4 80 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0565531.0 [0,0,1,0,0,0|2,0,1]=4 81 B13R3.1910 C1=C2CCC2=CC3=C1OCO3 CNP0312540.0 [0,0,0,1,0,0|1,0,1]=3 82 B11R2.15 N=CC1=CC2=NNOC2=C1 CNP0187583.0 [0,0,0,0,1,0|3,0,0]=4 83 B11R2.15 O=CC1=CC2=NNNC2=C1 CNP0000536.0 [0,0,0,0,1,0|3,0,0]=4 84 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [0,0,0,0,1,0|3,0,0]=4 85 B11R2.191 N=CC1=C2ONN=C2C=C1 CNP0396514.0 [0,0,0,0,1,0|3,0,0]=4 86 B11R2.191 N=CC1=CC=C2C1=NNO2 CNP0211231.0 [0,0,0,0,1,0|3,0,0]=4 87 B11R2.191 O=CC1=C2CCCN2C=C1 CNP0281636.0 [0,0,0,0,1,0|3,0,0]=4 88 B11R2.191 O=CC1=C2NNN=C2C=C1 CNP0000328.0 [0,0,0,0,1,0|3,0,0]=4 89 B11R2.191 O=CC1=CC=C2C1=NNN2 CNP0282851.0 [0,0,0,0,1,0|3,0,0]=4 90 B11R2.191 O=CC1=CC=C2N1CCC2 CNP0275297.0 [0,0,0,0,1,0|3,0,0]=4 91 B13R2.57 COC1=CC=C2C=CCOC2=C1 CNP0590753.0 [0,0,0,0,0,1|3,0,0]=4 92 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [0,0,0,0,0,1|3,0,0]=4 93 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,0,0,0,0,1|2,0,1]=4 94 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CNP0375851.0 [0,0,0,0,0,1|2,0,1]=4 95 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,0,1,0,0,0|1,0,1]=4 96 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,0,1,0,0,0|1,0,1]=4 98 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,0,1,0,0,0|1,0,1]=4 99 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,0,1,0,0,0|1,0,1]=4 100 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,1,0,0,0|2,0,0]=4 101 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,1,0,0,0|1,0,0]=3 102 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,1,0,0,0|1,0,0]=3 103 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,1,0,0,0|1,0,0]=3 104 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,1,0,0,0|1,0,1]=4 105 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,1,0,0,0|1,0,0]=3 106 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,1,0,0,0|1,0,1]=4 107 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,1,0,0,0|0,0,0]=2 108 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,1,0,0,0|0,1,0]=3 109 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,1,0,0,0|1,0,1]=4 110 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,1,0,0,0|0,0,2]=4 111 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,0,1,0,0,0|0,0,2]=4 114 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,1,0,0,0|1,0,0]=3 115 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,0,1,0,0,0|1,0,1]=4 116 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,0,1,0,0,0|1,0,1]=4 117 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,0,1,0,0,0|1,0,0]=3 118 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,0,1,0,0,0|1,0,1]=4 119 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [1,0,1,0,0,0|1,0,1]=4 120 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,0,1,0,0,0|0,0,0]=2 121 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [1,0,1,0,0,0|0,0,2]=4 122 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [1,0,1,0,0,0|2,0,0]=4 123 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [1,0,1,0,0,0|0,0,2]=4 124 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,0,1,0,0,0|1,0,1]=4 125 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,0,1,0,0,0|1,0,1]=4 126 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,0,1,0,0,0|2,0,0]=4 127 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,0,1,0,0,0|1,0,1]=4 128 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,0,1,0,0,0|1,0,1]=4 129 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,0,1,0,0,0|2,0,0]=4 130 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,0,1,0,0,0|1,0,1]=4 131 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,0,1,0,0,0|1,0,1]=4 132 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,0,1,0,0,0|0,0,1]=3 133 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,0,1,0,0,0|0,0,1]=3 134 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,0,1,0,0,0|2,0,0]=4 135 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,0,1,0,0,0|1,0,0]=3 136 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,0,1,0,0,0|0,0,0]=2 138 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,0,1,0,0,0|1,0,1]=4 139 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,0,1,0,0,0|1,0,1]=4 141 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,0,1,0,0,0|2,0,0]=4 143 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,0,1,0,0,0|1,0,1]=4 144 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,0,1,0,0,0|1,0,0]=3 145 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,0,1,0,0,0|1,0,1]=4 146 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,0,1,0,0,0|1,0,0]=3 147 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,0,1,0,0,0|0,0,0]=2 149 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,0,1,0,0,0|0,0,2]=4 150 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,0,1,0,0,0|1,0,1]=4 151 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,0,1,0,0,0|1,0,1]=4 152 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,0,1,0,0,0|1,0,1]=4 153 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,0,1,0,0,0|1,0,1]=4 154 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,0,1,0,0,0|1,0,1]=4 155 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,0,1,0,0,0|0,0,1]=3 156 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,0,1,0,0,0|0,0,1]=3 157 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [1,0,1,0,0,0|1,0,1]=4 158 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,0,1,0,0,0|0,0,1]=3 159 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [2,0,0,0,0,0|1,0,0]=3 160 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [2,0,0,0,0,0|2,0,0]=4 161 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [2,0,0,0,0,0|2,0,0]=4 162 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [2,0,0,0,0,0|1,0,1]=4 163 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [2,0,0,0,0,0|1,0,1]=4 164 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [2,0,0,0,0,0|1,0,0]=3 165 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [2,0,0,0,0,0|0,0,0]=2 166 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [2,0,0,0,0,0|0,2,0]=4 167 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,1,1,0,0,0|0,0,2]=4 168 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,1,1,0,0,0|1,0,0]=3 169 B12R1.71 C#CCOC1=CC=C(C=C1)C=O CNP0167326.0 [0,1,1,0,0,0|1,0,0]=3 170 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [0,1,1,0,0,0|1,0,1]=4 171 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,1,1,0,0,0|1,0,0]=3 173 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CNP0230094.0 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,1,1,0,0,0|1,0,0]=3 175 B12R1.270 CCOC1=CC(=CC=C1O)C=O CNP0155747.0 [0,1,1,0,0,0|1,0,0]=3 176 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [0,1,1,0,0,0|1,0,0]=3 177 B12R1.279 O=C([O-])C1=CC=C[N+](=C1)CCO CNP0600719.0 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.435 C=CC1=CC=CC(=C1)[C@@H](O)CO CNP0176380.1 [0,1,1,0,0,0|2,0,0]=4 179 B12R1.435 C=CC1=CC=CC(=C1)[C@H](O)CO CNP0176380.2 [0,1,1,0,0,0|2,0,0]=4 180 B12R1.435 O=CC1=CC=CC(=C1)[C@@H](O)CO CNP0192523.1 [0,1,1,0,0,0|1,0,0]=3 181 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,1,1,0,0,0|1,0,0]=3 182 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,1,1,0,0,0|1,0,0]=3 183 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [0,1,1,0,0,0|1,0,0]=3 184 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,1,1,0,0,0|0,0,0]=2 185 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [0,1,1,0,0,0|0,0,0]=2 186 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,1,1,0,0,0|0,0,0]=2 187 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [0,1,1,0,0,0|1,0,0]=3 188 B12R1.48 COC1=COC(=CC1=O)C(=O)O CNP0349359.0 [0,1,1,0,0,0|1,0,1]=4 189 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,1,1,0,0,0|2,0,0]=4 190 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [0,1,1,0,0,0|1,0,0]=3 191 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [0,1,1,0,0,0|1,0,1]=4 192 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.78 COC1=CC=C(C=C1C=O)C=O CNP0350650.0 [0,1,1,0,0,0|0,0,1]=3 194 B12R1.78 COC1=CC=C(C=C1OC)C=O CNP0216130.0 [0,1,1,0,0,0|0,0,0]=2 195 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [0,1,1,0,0,0|1,0,1]=4 196 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [0,1,1,0,0,0|0,0,2]=4 197 B12R1.301 C=CC1=CC(=C(C(=C1)O)OC)O CNP0344299.0 [0,1,1,0,0,0|1,0,0]=3 198 B12R1.301 COC1=C(C=C(C=C1Br)C=O)Br CNP0266347.0 [0,1,1,0,0,0|1,0,0]=3 199 B12R1.301 COC1=C(C=C(C=C1Br)C=O)Cl CNP0421884.0 [0,1,1,0,0,0|1,0,0]=3 200 B12R1.301 COC1=C(C=C(C=C1Br)C=O)O CNP0158043.0 [0,1,1,0,0,0|0,0,0]=2 201 B12R1.301 COC1=C(C=C(C=C1Br)CO)O CNP0134246.0 [0,1,1,0,0,0|0,0,2]=4 202 B12R1.301 COC1=C(C=C(C=C1Cl)C=O)Cl CNP0389372.0 [0,1,1,0,0,0|1,0,0]=3 203 B12R1.301 COC1=C(C=C(C=C1O)C=O)O CNP0109385.0 [0,1,1,0,0,0|0,0,0]=2 204 B12R1.301 COC1=C(C=C(C=C1O)CO)O CNP0164196.0 [0,1,1,0,0,0|0,0,2]=4 205 B12R1.301 COC1=CC(=C(C(=C1)O)OC)O CNP0238336.0 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.450 COC1=CC(=C(C=C1C)C=O)C CNP0330103.0 [0,1,1,0,0,0|1,0,0]=3 207 B12R1.450 COC1=CC(=C(C=C1O)C=O)O CNP0579091.0 [0,1,1,0,0,0|0,0,0]=2 208 B12R1.450 COC1=CC(=C(C=C1O)OC)O CNP0571520.0 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.653 C=CC1=CC=C(C(=C1O)O)OC CNP0422952.0 [0,1,1,0,0,0|1,0,0]=3 210 B12R1.653 COC1=CC=C(C(=C1C)C)C=O CNP0026563.0 [0,1,1,0,0,0|1,0,0]=3 211 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CNP0224833.0 [0,1,1,0,0,0|0,0,0]=2 212 B12R1.653 COC1=CC=C(C(=C1O)O)OC CNP0075796.0 [0,1,1,0,0,0|2,0,0]=4 213 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,1,1,0,0,0|2,0,0]=4 214 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,1,1,0,0,0|1,0,0]=3 215 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,1,1,0,0,0|2,0,0]=4 216 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,1,1,0,0,0|1,0,0]=3 217 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,1,1,0,0,0|1,0,0]=3 218 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,1,1,0,0,0|1,0,0]=3 219 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,1,1,0,0,0|1,0,0]=3 220 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,1,1,0,0,0|0,0,0]=2 221 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,1,1,0,0,0|0,0,0]=2 222 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,1,1,0,0,0|0,0,0]=2 223 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,1,1,0,0,0|0,0,0]=2 224 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,1,1,0,0,0|0,0,2]=4 225 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,1,1,0,0,0|0,0,1]=3 226 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [0,1,1,0,0,0|2,0,0]=4 227 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,1,1,0,0,0|2,0,0]=4 228 B12R1.300 CCC1=CC(=C(C(=C1)OC)O)C CNP0518382.0 [0,1,1,0,0,0|1,0,1]=4 229 B12R1.300 COC1=CC(=CC(=C1O)Br)C=O CNP0317155.0 [0,1,1,0,0,0|0,0,0]=2 230 B12R1.300 COC1=CC(=CC(=C1O)I)C=O CNP0268105.0 [0,1,1,0,0,0|0,0,0]=2 231 B12R1.300 COC1=CC(=CC(=C1O)O)C=O CNP0377931.0 [0,1,1,0,0,0|0,0,0]=2 232 B12R1.449 COC1=CC(=C(C=C1O)Br)C=O CNP0403804.0 [0,1,1,0,0,0|0,0,0]=2 233 B12R1.449 COC1=CC(=C(C=C1O)Cl)C=O CNP0154420.0 [0,1,1,0,0,0|0,0,0]=2 234 B12R1.449 O=CC1=CC(=C(C=C1O)O)C=O CNP0039377.0 [0,1,1,0,0,0|2,0,0]=4 235 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,1,1,0,0,0|2,0,0]=4 236 B12R1.453 O=CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0571042.0 [0,1,1,0,0,0|2,0,0]=4 237 B12R2.100 O=C1C=C2OCOC2=CC1=O CNP0358335.0 [1,1,0,0,0,0|0,0,0]=2 238 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [1,1,0,0,0,0|1,0,1]=4 239 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [1,1,0,0,0,0|1,0,1]=4 240 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [1,1,0,0,0,0|1,0,1]=4 241 B14R2.134 O=CC1=CC=C2C=CC(=O)OC2=C1 CNP0605757.0 [0,1,0,0,0,1|1,0,1]=4 242 B14R2.781 CC(=O)C1=CC=C2CCCCC2=C1 CNP0274645.0 [0,1,0,0,0,1|2,0,0]=4 243 B14R2.2296 COC1=CC(=C2OCOC2=C1O)C CNP0356455.0 [0,2,0,0,0,0|2,0,0]=4 244 B14R2.5998 NC(=O)C1=CC=C2OC=CC2=C1O CNP0588823.0 [0,2,0,0,0,0|1,0,1]=4 245 B14R2.5998 O=C(O)C1=CC=C2OC=CC2=C1O CNP0196554.0 [0,2,0,0,0,0|1,0,1]=4 246 B14R2.601 CC(=O)C1=CC=C2O[C@@H](CC2=C1)C CNP0250736.1 [0,2,0,0,0,0|1,0,0]=3 247 B14R2.601 CC(=O)C1=CC=C2O[C@H](CC2=C1)C CNP0250736.2 [0,2,0,0,0,0|1,0,0]=3 248 B14R2.624 CC1=CC2=C(C=C1C(=O)O)OCO2 CNP0446155.0 [0,2,0,0,0,0|0,0,0]=2 249 B14R2.624 NC(=O)C1=CC2=C(C=C1O)OC=C2 CNP0078521.0 [0,2,0,0,0,0|1,0,1]=4 250 B14R2.966 C=C[C@@H](O)C1=CC=C2OCOC2=C1 CNP0400523.2 [0,2,0,0,0,0|1,0,0]=3 251 B14R2.966 C=C[C@H](O)C1=CC=C2OCOC2=C1 CNP0400523.1 [0,2,0,0,0,0|1,0,0]=3 252 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CNP0238358.0 [0,2,0,0,0,0|0,0,0]=2 253 B14R2.966 CC[C@@H](O)C1=CC=C2OCOC2=C1 CNP0379331.1 [0,2,0,0,0,0|0,0,2]=4 254 B14R2.966 COC(=O)C1=CC=C2CCNC2=C1 CNP0400350.0 [0,2,0,0,0,0|2,0,0]=4 255 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 CNP0297612.0 [0,2,0,0,0,0|0,0,0]=2 256 B14R2.24358 O=C(O)C1=CC=C2OCC(C2=C1)O CNP0269611.0 [0,2,0,0,0,0|1,0,0]=3 257 B14R2.583 C=CCC1=CC2=C(C=C1O)OCO2 CNP0612013.0 [0,2,0,0,0,0|1,0,0]=3 258 B14R2.587 C=CCC1=CC(=C2OCOC2=C1)O CNP0224367.0 [0,2,0,0,0,0|1,0,0]=3 259 B14R2.991 CC=COC1=CC=C2OCOC2=C1 CNP0085699.0 [0,2,0,0,0,0|1,0,0]=3 260 B14R2.991 O=CC=CC1=CC=C2OCOC2=C1 CNP0233065.0 [0,2,0,0,0,0|0,0,0]=2 261 B14R2.991 OCC=CC1=CC=C2OCOC2=C1 CNP0320631.0 [0,2,0,0,0,0|0,0,1]=3 262 B14R2.1008 CC(N)CC1=CC=C2OCOC2=C1 CNP0458254.0 [0,2,0,0,0,0|1,0,1]=4 263 B14R2.1008 O=C(O)CC1=CC=C2CCOC2=C1 CNP0447471.0 [0,2,0,0,0,0|1,0,0]=3 264 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 CNP0259252.0 [0,2,0,0,0,0|1,0,0]=3 265 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 CNP0369683.0 [0,2,0,0,0,0|0,0,0]=2 266 B14R2.6400 C=CCC1=CC=C2OC(OC2=C1)O CNP0550445.0 [0,2,0,0,0,0|1,0,0]=3 267 B14R2.82 COC1=CC2=C(C=C1C=O)OCO2 CNP0252455.0 [0,2,0,0,0,0|0,0,0]=2 268 B14R2.1101 CCC1=CC(=C2OCOC2=C1)OC CNP0300913.0 [0,2,0,0,0,0|1,0,1]=4 269 B14R2.1101 COC1=CC(=C2OCOC2=C1)C=O CNP0301803.0 [0,2,0,0,0,0|2,0,0]=4 270 B14R2.1101 COC1=CC(=CC2=C1OC=C2)C=O CNP0081586.0 [0,2,0,0,0,0|1,0,1]=4 271 B14R2.1101 COC1=CC(=CC2=C1OCO2)C#N CNP0237891.0 [0,2,0,0,0,0|1,0,1]=4 272 B14R2.1101 COC1=CC(=CC2=C1OCO2)C=O CNP0247969.0 [0,2,0,0,0,0|0,0,0]=2 273 B14R2.3304 COC1=CC2=CC(=CC=C2O1)C=O CNP0508637.0 [0,2,0,0,0,0|1,0,1]=4 274 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,0,2,0,0,0|1,0,0]=3 275 B12R2.315 COC1=CC=CC2=C1OCO2 CNP0612007.0 [0,0,1,1,0,0|2,0,0]=4 276 B12R2.315 O=CC1=CC=CC2=C1CCC2 CNP0274252.0 [0,0,1,1,0,0|2,0,0]=4 277 B14R3.3015 C1=CC2=C(C=C1N3N=N3)OCO2 CNP0252528.0 [0,1,0,1,0,0|2,0,0]=4 278 B14R3.8268 Cl[C@@H]1CC2=CC3=C(C=C12)OCO3 CNP0046406.2 [0,1,0,1,0,0|1,0,1]=4 279 B14R3.8268 Cl[C@H]1CC2=CC3=C(C=C12)OCO3 CNP0046406.1 [0,1,0,1,0,0|1,0,1]=4 280 B14R3.8268 O=C1CC2=CC3=C(C=C12)OCO3 CNP0035339.0 [0,1,0,1,0,0|0,0,0]=2 281 B14R3.3022 C1=CC2=CC3=C(C=C2N1)OCO3 CNP0365151.0 [0,1,0,1,0,0|1,0,0]=3 282 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [1,0,0,0,0,1|1,0,1]=4