0 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.53 CC=C1CCCN=C1C(=O)C CNP0002559.0 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [1,0,0,0,0,0|0,0,1]=2 18 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.46 COC1=NC=C(N=C1C(C)C)C CNP0379235.0 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.76 COC1=NC=CN=C1C(C)(C)O CNP0352781.0 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC CNP0249428.1 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CNP0438693.0 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.283 CCNC1=CC=CC=C1C(=O)O CNP0071068.0 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.283 CCOC1=CC=CC=C1C(=O)O CNP0575551.0 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.437 COC1=CC=CC(=C1C(=O)C)C CNP0111015.0 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.437 COC1=CC=CC(=C1C(=O)C)O CNP0394493.0 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.1081 CC1=CC=CC2=NC=CN=C12 CNP0283701.0 [0,0,0,1,0,0|1,0,2]=4 46 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.1806 COC1=CC=CC2=C1C(=O)C2 CNP0108126.0 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,0,0,1,0,0|2,0,0]=3 54 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.2028 C[C@@H]1C[C@H](C2=NC=CC=C12)C CNP0115326.1 [0,0,0,1,0,0|2,0,1]=4 56 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,0,0,1,0,0|2,0,0]=3 57 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,0,0,0,1,0|3,0,0]=4 59 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,0,0,0,1,0|2,0,0]=3 60 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,0,0,0,1,0|2,0,0]=3 61 B12R1.75 CCC1=CC=CC=C1NC(=O)C CNP0050892.0 [0,0,0,0,0,1|2,0,0]=3 62 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,0,0,0,0,1|2,0,0]=3 63 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,0,0,0,0,1|3,0,0]=4 64 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,0,0,0,0,1|3,0,0]=4 65 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,0,0,0,0,1|3,0,0]=4 66 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [2,0,0,0,0,0|0,0,1]=3 68 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [2,0,0,0,0,0|1,0,1]=4 72 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [2,0,0,0,0,0|0,0,0]=2 73 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [2,0,0,0,0,0|0,0,0]=2 80 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [2,0,0,0,0,0|1,0,1]=4 81 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [2,0,0,0,0,0|0,0,2]=4 82 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.37 C=CC1=NC=C(N=C1CC)C CNP0003041.0 [1,1,0,0,0,0|0,0,1]=3 94 B11R1.37 CCC1=NC=C(N=C1CC)C CNP0079896.0 [1,1,0,0,0,0|0,0,1]=3 95 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [1,1,0,0,0,0|0,0,0]=2 101 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.193 COCC1=CNC=C1C(=O)C CNP0591296.0 [0,1,0,0,1,0|2,0,0]=4 103 B13R1.380 CCOC1=CC=CC=C1NC(=O)C CNP0118315.0 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.589 CC(=O)NC1=NC=CN=C1C(=O)O CNP0341485.0 [0,1,0,0,0,1|1,0,1]=4 105 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [1,0,0,1,0,0|0,0,1]=3 108 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [1,0,0,1,0,0|0,0,1]=3 109 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [1,0,0,1,0,0|1,0,1]=4 111 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [1,0,0,1,0,0|0,0,1]=3 112 B11R2.106 O=C1CCSC2=C1SC=C2 CNP0047930.0 [0,0,0,1,1,0|2,0,0]=4 113 B13R2.5187 CC1CC(=O)C2=CC=C(C=C12)O CNP0611868.0 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.5187 CC1CC(=O)C2=NC=C(C=C12)O CNP0315960.0 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.5187 C[C@@H]1CC(=O)C2=NC=C(C=C12)O CNP0315960.1 [0,1,0,1,0,0|1,0,0]=3 116 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,1,0|2,0,0]=4 123 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,0,0,0,1,0|1,0,0]=3 124 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [1,0,0,0,1,0|1,0,1]=4 128 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [1,0,0,0,1,0|2,0,0]=4