0 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,0,0,0,0,0|0,0,2]=2 12 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,0,0,0,0,0|0,0,2]=2 27 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.113 C[N+]1=CC=CC(=C1)[N+](=O)[O-] CNP0526184.0 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,0,0,0,0,0|1,0,0]=1 50 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,0,0,0,0,0|0,0,1]=2 61 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,0,0,0,0,0|0,0,0]=1 76 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,0,0,0,0,0|0,0,2]=3 78 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|0,0,0]=1 82 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|0,0,2]=3 92 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|0,0,2]=3 94 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|2,1,0]=4 97 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|1,0,0]=2 112 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.21 C=C(C)C1=CC=C(C(C1)O)C CNP0162450.0 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.21 NC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0484931.0 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,1,0,0,0,0|0,0,3]=4 165 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C CNP0172814.0 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O CNP0398097.0 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.74 O=C(O)C1=CC(=NC(=C1)Cl)Cl CNP0611630.0 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)O CNP0569904.0 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)[O-] CNP0579704.0 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)O)O CNP0561927.0 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.155 CC(C)(C)C1=CC=CC(=C1)O CNP0077275.0 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.155 CC1=CC=CC(=C1)C(C)(C)C CNP0123429.0 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.155 CC1=CC=CC(=C1)[N+](C)(C)C CNP0546596.0 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)O CNP0197644.0 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.155 O=P(O)(O)C1=CC=CC(=C1)O CNP0441003.0 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.155 O=S(=O)(O)C1=CC=CC(=C1)O CNP0166325.0 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,1,0,0,0,0|0,0,0]=1 194 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.159 N[C@@H]1C(=CC=C[C@H]1O)C(=O)O CNP0161245.1 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.159 N[C@H]1C(=CC=C[C@@H]1O)C(=O)O CNP0161245.2 [0,1,0,0,0,0|1,0,2]=4 207 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.159 O=C(O)C1=CC=C[C@@H]([C@H]1O)O CNP0176375.1 [0,1,0,0,0,0|1,0,2]=4 211 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,1,0,0,0,0|0,0,0]=1 214 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.167 CN1C=CC(=O)C(=C1)C(=O)N CNP0212515.0 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Br CNP0575206.0 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0583325.0 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.266 C=C(C)C1=CC=NC(=C1)CC CNP0500796.0 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,1,0,0,0,0|0,0,1]=2 240 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CNP0572774.0 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.266 CCC1=CN=CC(=N1)C(=O)C CNP0374683.0 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,1,0,0,0,0|0,0,0]=1 244 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.266 O=CC1=CC=CC(=C1)[N+](=O)[O-] CNP0576459.0 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.39 C=C[C@@H](/C=C(\C)/O)C(=C)C CNP0147536.1 [0,0,1,0,0,0|1,0,2]=4 252 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,0,1,0,0,0|2,0,1]=4 253 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,0,0|2,0,1]=4 254 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,0,1,0,0,0|2,0,1]=4 255 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,0,1,0,0,0|2,0,0]=3 256 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,0,0,1,0,0|1,0,0]=2 257 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,0,0,1,0,0|1,0,0]=2 258 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,0,1,0|2,0,0]=3 260 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,0,0,0,1,0|3,0,0]=4 265 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,0,0,0,1,0|3,0,0]=4 266 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,0,0,0,1,0|3,0,0]=4 267 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,0,0,0,1,0|3,0,0]=4 268 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,0,0,0,1,0|3,0,0]=4 271 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,0,0,0,1,0|3,0,0]=4 272 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,0,0,0,1,0|2,0,0]=3 273 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,0,0,0,1,0|3,0,0]=4 274 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,0,0,0,1,0|2,0,0]=3 276 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,0,0,1,0|1,0,0]=2 278 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,0,0,0,1,0|2,0,0]=3 281 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,0,0,1,0|3,0,0]=4 282 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,0,0,0,1,0|3,0,0]=4 287 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,0,0,0,0,1|3,0,0]=4 288 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,0,0,0,0,1|1,0,0]=2 289 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,0,0,0,0,1|1,0,0]=2 290 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,0,0,0,0,1|1,0,0]=2 291 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,0,0,0,0,1|0,0,0]=1 292 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,0,0,0,0,1|2,0,0]=3 293 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,0,0,0,0,1|1,0,0]=2 294 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,0,0,0,0,1|0,0,0]=1 295 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,0,0,0,0,1|1,0,2]=4 296 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,0,0,0,0,1|2,0,0]=3 297 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,0,0,0,0,1|1,0,0]=2 298 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,0,0,0,0,1|1,0,2]=4 299 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|1,0,1]=4 300 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [1,0,1,0,0,0|1,0,1]=4 301 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,1,0,0,0|0,0,2]=4 302 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 303 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|0,0,2]=4 304 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|0,0,2]=4 305 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|1,0,1]=4 306 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 307 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,1]=3 308 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,1]=4 309 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,1]=4 310 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,1]=3 311 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 312 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 313 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,1]=4 314 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 319 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 321 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 322 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 323 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 326 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 328 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,2]=4 332 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 333 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 334 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,2]=4 335 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,2]=4 336 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [2,0,0,0,0,0|0,0,0]=2 344 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [2,0,0,0,0,0|1,0,1]=4 348 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [2,0,0,0,0,0|1,0,0]=3 358 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [2,0,0,0,0,0|0,0,1]=3 359 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [2,0,0,0,0,0|0,0,2]=4 360 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,1,1,0,0,0|1,0,1]=4 361 B10R0.98 NC(=CC=CC(=O)O)C(=O)O CNP0360097.0 [0,1,1,0,0,0|2,0,0]=4 362 B10R0.55 CNC(=O)C=CC=CC(=O)O CNP0109951.0 [0,1,1,0,0,0|1,0,0]=3 363 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [0,1,1,0,0,0|1,0,0]=3 364 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.2 N[C@H]1C(=CC=C[C@@H]1O)C=O CNP0272558.1 [1,1,0,0,0,0|0,0,2]=4 375 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [1,1,0,0,0,0|0,0,2]=4 377 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.8 COC1=CC(=CC(=C1)Cl)Cl CNP0017966.0 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.8 COC1=CC(=CC(=C1)O)C CNP0325489.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.8 COC1=CC(=CC(=C1)O)O CNP0081787.0 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.8 O=CC1=CC(=CC(=C1)Cl)Cl CNP0440524.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.8 O=CC1=CC(=CC(=C1)O)O CNP0573224.0 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.8 OCC1=CC(=CC(=C1)O)O CNP0197323.0 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,1]=3 394 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|0,0,1]=3 396 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|0,0,1]=3 397 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,1]=3 399 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,1,0,0,0,0|0,0,2]=4 406 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [1,1,0,0,0,0|0,0,2]=4 415 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,1,0,0,0,0|0,0,2]=4 416 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,1,0,0,0,0|0,0,1]=3 421 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.172 N#CC1=CC=CC(=N1)C=O CNP0065484.0 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [1,1,0,0,0,0|0,0,1]=3 427 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|0,0,1]=3 434 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|0,0,1]=3 435 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|0,0,0]=2 447 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|0,0,2]=4 448 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|0,0,2]=4 469 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,2]=4 472 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,1,0,0,0,0|0,0,1]=3 493 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|0,0,1]=3 494 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|0,0,1]=3 496 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|0,0,1]=3 497 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|0,0,1]=3 499 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,2]=4 506 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|0,0,0]=2 509 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|0,0,2]=4 516 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,1,0,0,0,0|0,0,1]=3 522 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|0,0,2]=4 525 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|0,0,0]=2 531 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 535 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,2]=4 537 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,2]=4 539 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|0,0,2]=4 540 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|0,0,2]=4 543 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|0,0,0]=2 548 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|0,0,0]=2 549 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,0]=2 550 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|0,1,1]=4 556 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,1,0,0,1,0|2,0,0]=4 589 B10R1.14 COC(=O)C1=CC(=CN1)Br CNP0239770.0 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,1,0,0,1,0|2,0,0]=4 592 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,0,1,0|1,0,1]=4 593 B10R1.31 CC(=O)C1=CC=C(O1)C=O CNP0609170.0 [0,1,0,0,1,0|1,0,1]=4 594 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,1,0,0,1,0|2,0,0]=4 601 B10R1.59 CC(=O)N1CC(=CC1=O)O CNP0330308.0 [0,1,0,0,1,0|1,0,1]=4 602 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.39 CC(=O)N1C=CC=C1C=O CNP0167841.0 [0,1,0,0,1,0|1,0,1]=4 605 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,1,0,0,1,0|1,0,0]=3 607 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [0,1,0,0,1,0|2,0,0]=4 609 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,0,1,0|2,0,0]=4 610 B12R1.19 C=C(C)C=C1C=CC(=O)C(=C1)C CNP0342367.0 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,1,0,0,0,1|0,0,0]=2 612 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0068960.0 [0,1,0,0,0,1|1,0,0]=3 614 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,1,0,0,0,1|1,0,0]=3 615 B12R1.19 CC(=O)OC1=CC=C(C(=C1)Cl)Cl CNP0018261.0 [0,1,0,0,0,1|1,0,0]=3 616 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [0,1,0,0,0,1|0,0,0]=2 617 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,1,0,0,0,1|1,0,1]=4 620 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,1,0,0,0,1|1,0,0]=3 622 B12R1.19 NC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0299483.0 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,1,0,0,0,1|1,0,0]=3 626 B12R1.101 CC(=O)CC1=CC(=CC(=C1)O)O CNP0215843.0 [0,1,0,0,0,1|0,0,0]=2 627 B12R1.101 CC(=O)CC1=CC(=CC(=O)O1)O CNP0149763.0 [0,1,0,0,0,1|1,0,0]=3 628 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C CNP0595654.0 [0,1,0,0,0,1|1,0,0]=3 629 B12R1.101 CC(=O)OC1=CC(=CC(=C1)Cl)Cl CNP0017774.0 [0,1,0,0,0,1|1,0,0]=3 630 B12R1.101 CC(=O)OC1=CC(=CC(=C1)O)C CNP0121903.0 [0,1,0,0,0,1|0,0,0]=2 631 B12R1.101 CC(=O)OC1=CC(=O)OC(=C1)C CNP0194677.0 [0,1,0,0,0,1|1,0,1]=4 632 B12R1.101 CC1=CC(=CC(=C1)CC(=O)Cl)C CNP0064562.0 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.101 CC1=CC(=CC(=C1)OC(C)C)O CNP0583120.0 [0,1,0,0,0,1|1,0,1]=4 634 B12R1.101 C[C@H](O)CC1=CC(=CC(=C1)O)O CNP0275743.1 [0,1,0,0,0,1|0,0,2]=4 635 B12R1.101 O=C(O)CC1=CC(=CC(=C1)O)O CNP0371328.0 [0,1,0,0,0,1|1,0,0]=3 636 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,1,0,0,0,1|1,0,0]=3 637 B12R1.127 CC(=O)C[N+]1=CC(=CC=C1N)C CNP0498954.0 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.127 CC(=O)C[N+]1=CC(=CC=C1N)Cl CNP0537038.0 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,1,0,0,0,1|1,0,0]=3 640 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,1,0,0,0,1|1,0,0]=3 642 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)Cl CNP0051150.0 [0,1,0,0,0,1|1,0,0]=3 643 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,1,0,0,0,1|0,0,0]=2 644 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,1,0,0,0,1|1,0,0]=3 645 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,1,0,0,0,1|1,0,0]=3 646 B12R1.127 O=C1C=CC(=O)C(=C1)CC(=O)O CNP0040825.0 [0,1,0,0,0,1|1,0,1]=4 647 B12R1.224 CC(=O)C[N+]1=CC=CC(=C1N)C CNP0547254.0 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.224 CC(=O)NC1=CC=CC(=C1C)C CNP0173088.0 [0,1,0,0,0,1|1,0,0]=3 649 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Cl CNP0343401.0 [0,1,0,0,0,1|1,0,0]=3 650 B12R1.224 CC(=O)NC1=CC=CC(=C1Cl)Cl CNP0054556.0 [0,1,0,0,0,1|1,0,0]=3 651 B12R1.224 C[C@H](O)CC1=CC=CC(=C1O)O CNP0207246.1 [0,1,0,0,0,1|0,0,2]=4 652 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)N CNP0584804.0 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)O CNP0140626.0 [0,1,0,0,0,1|1,0,0]=3 654 B12R1.225 CC1=CC=CC(=C1)[C@@H](N)C(=O)O CNP0581273.1 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.225 CC1=CC=CC(=C1)[C@H](N)C(=O)O CNP0581273.2 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.225 C[C@@H](C1=CC=CC(=C1)O)N(C)C CNP0551992.1 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(=C1)O CNP0262047.1 [0,1,0,0,0,1|1,0,1]=4 658 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.1 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.2 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)O CNP0183373.1 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.225 O=C(O)[C@@H](O)C1=CC=CC(=C1)O CNP0133718.2 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(=C1)O CNP0133718.1 [0,1,0,0,0,1|1,0,0]=3 663 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.438 COC1=CC=CC(=C1)CC(C)N CNP0080010.0 [0,1,0,0,0,1|1,0,1]=4 666 B12R1.876 CC(C)C1=CC=CC=C(C1=O)O CNP0495806.0 [0,1,0,0,0,1|1,0,1]=4 667 B12R1.1021 C=C(C)C1=CC(=O)C(=CC=C1)O CNP0494305.0 [0,1,0,0,0,1|1,0,1]=4 668 B12R1.1021 C=C(C)C1=CC=CC(=O)C(=C1)O CNP0310811.0 [0,1,0,0,0,1|1,0,0]=3 669 B12R1.1021 CC(=O)C1=CC(=O)C(=CC=C1)O CNP0612012.0 [0,1,0,0,0,1|0,0,1]=3 670 B12R1.1021 CC(=O)C1=CC=CC(=O)C(=C1)O CNP0339263.0 [0,1,0,0,0,1|0,0,0]=2 671 B12R1.1021 CC(C)C1=CC=CC(=O)C(=C1)O CNP0584336.0 [0,1,0,0,0,1|1,0,1]=4 672 B12R1.892 CC(C)C1=CC=C(C(=O)C=C1)O CNP0218976.0 [0,1,0,0,0,1|1,0,1]=4 673 B12R1.892 O=C1C=CC(=CC=C1O)[N+](=O)[O-] CNP0508315.0 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.23 CC(C)(C)C1=CC=C(C(=C1)O)O CNP0201724.0 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)O CNP0181250.0 [0,2,0,0,0,0|0,0,2]=4 676 B12R1.48 CC(=O)C1=CC=C(C(=O)O1)CO CNP0139436.0 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.48 CCC1=CC=C(OC1=O)C(=O)C CNP0456336.0 [0,2,0,0,0,0|1,0,1]=4 679 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|0,0,0]=2 683 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,2,0,0,0,0|0,0,1]=3 690 B12R1.56 CC1=CC=C(C=C1CO)C(C)C CNP0524285.0 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.56 CC1=CC=C(C=C1CO)[N+](=O)[O-] CNP0531354.0 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,2,0,0,0,0|0,0,2]=4 702 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.56 O=NC1=CC(=CC=C1[O-])C(=O)[O-] CNP0591454.0 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.56 O=[N+]([O-])C1=CC=C(C(=C1)CO)Cl CNP0495840.0 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|0,0,0]=2 709 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,2,0,0,0,0|0,0,0]=2 711 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])O)O CNP0541795.0 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|0,0,2]=4 718 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O CNP0491895.0 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)Cl CNP0533621.0 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.367 COC(=O)C1=CC=C(C(=C1)N)O CNP0023118.0 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)N CNP0083419.0 [0,2,0,0,0,0|0,0,0]=2 723 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)O CNP0279680.0 [0,2,0,0,0,0|0,0,0]=2 724 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.367 COC(=O)C1=COC(=O)C(=C1)Br CNP0152101.0 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.367 NCC(=O)C1=CC=C(C(=C1)O)O CNP0133774.0 [0,2,0,0,0,0|0,0,0]=2 727 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|0,0,2]=4 728 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|0,0,2]=4 729 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [0,2,0,0,0,0|0,0,0]=2 730 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O CNP0501868.0 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|0,0,2]=4 733 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)C CNP0169307.0 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O CNP0139788.0 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O CNP0453501.0 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.1005 CC1=C(C=C(C=C1O)C(C)C)O CNP0424233.0 [0,2,0,0,0,0|1,0,1]=4 747 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O CNP0192461.0 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.1005 NC(=O)C1=CC(=C(C(=C1)O)O)O CNP0198006.0 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)Br CNP0425607.0 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)O CNP0081695.0 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)O)Cl CNP0185897.0 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)O CNP0133244.0 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)[O-])[O-] CNP0576349.0 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0541877.0 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.10 CC[N+](C)(C)C1=CC=CC(=C1)O CNP0548515.0 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.17 CNC[C@@H](O)C1=CC=CC(=C1)O CNP0319778.3 [0,2,0,0,0,0|0,0,2]=4 761 B12R1.17 CNC[C@H](O)C1=CC=CC(=C1)O CNP0319778.1 [0,2,0,0,0,0|0,0,2]=4 762 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [0,2,0,0,0,0|0,0,0]=2 763 B12R1.354 CC(=NO)C1=CC(=CC=C1O)C CNP0288898.0 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.354 CC(=NO)C1=CC(=CC=C1O)Cl CNP0051443.0 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [0,2,0,0,0,0|0,0,1]=3 766 B12R1.354 CN(N=O)C1=CC(=CC=C1O)O CNP0074187.0 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,2,0,0,0,0|0,0,0]=2 768 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.358 CCC(=O)C1=CC(=CC(=C1)O)O CNP0081565.0 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)C CNP0134842.0 [0,2,0,0,0,0|0,0,0]=2 771 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)N CNP0330742.0 [0,2,0,0,0,0|0,0,0]=2 772 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)O CNP0192698.0 [0,2,0,0,0,0|0,0,0]=2 773 B12R1.358 C[C@@H](C=O)C1=CC(=CC(=O)O1)O CNP0282655.1 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,2,0,0,0,0|0,0,0]=2 776 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CNP0244459.0 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)C CNP0589100.0 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)O CNP0247560.0 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.11 COC1=CC(=O)OC(=C1)C(=O)C CNP0295805.0 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br CNP0224168.0 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.511 NC1=C(C=C(C=C1C(=O)O)O)O CNP0023505.0 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.511 O=C(O)C1=CC(=CC(=C1O)Br)Br CNP0017991.0 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.511 O=C(O)C1=CC(=CC(=C1O)I)I CNP0359648.0 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.511 O=C(O)C1=CC(=CC(=C1O)O)O CNP0538663.0 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.128 CC(C)(C)C1=CC(=CC=C1O)O CNP0392762.0 [0,2,0,0,0,0|1,0,1]=4 788 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1O)O CNP0449853.0 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.87 COC1=C(C=CC=C1C(=O)O)O CNP0226066.0 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.440 C=C(C)C1=CC=CC(=C1C)OC CNP0162218.0 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.440 CC1=C(C=CC=C1[N+](=O)[O-])CO CNP0610340.0 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.440 COC1=CC=CC(=C1C)[N+](=O)[O-] CNP0575943.0 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.440 COC1=CC=CC(=C1N)C(=O)O CNP0141530.0 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.440 COC1=CC=CC(=C1O)C(=O)O CNP0153479.0 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.894 C=C(C)C1=C(C=CC(=C1C)O)O CNP0482771.0 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.894 CC1=C(C=CC(=C1C(=O)O)O)O CNP0439844.0 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.894 CC1=C(C=CC(=C1C(C)C)O)O CNP0551899.0 [0,2,0,0,0,0|1,0,1]=4 798 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [0,2,0,0,0,0|0,0,2]=4 799 B12R1.894 CC1=CC=C(C(=C1C(=O)O)O)Br CNP0437652.0 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.894 CC1=CC=C(C(=C1C)C(=O)O)C CNP0199373.0 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.894 NC1=CC=C(C(=C1N)C(=O)O)O CNP0308763.0 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.46 CNC1=CC=C(C=C1C(=O)O)O CNP0196868.0 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.46 COC1=CC=C(C=C1C(=O)O)O CNP0241896.0 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,2,0,0,0,0|0,0,0]=2 806 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,2,0,0,0,0|1,0,1]=4 809 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1O)CO CNP0520804.0 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.258 C=C(C)C1=CC(=CC=N1)C(=O)C CNP0572722.0 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.258 C=C(C)C1=CC=CC(=C1)C(C)C CNP0084858.0 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.258 C=C(C)C1=CC=NC(=C1)C(=O)C CNP0485943.0 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.258 CC(=O)C1=CC(=CC=N1)C(C)C CNP0485147.0 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C CNP0304319.0 [0,2,0,0,0,0|0,0,1]=3 815 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)N CNP0209482.0 [0,2,0,0,0,0|0,0,1]=3 816 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)O CNP0441014.0 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)C CNP0044968.0 [0,2,0,0,0,0|1,0,1]=4 818 B12R1.258 CC(C)C1=CC=CC(=C1)C(O)O CNP0344908.0 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.258 O=C(Cl)C1=CC=CC(=C1)C(=O)Cl CNP0043234.0 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O CNP0265672.0 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O CNP0266365.0 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.258 O=C(S)C1=CC=CC(=N1)C(=S)O CNP0555335.0 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.258 O=[N+]([O-])C1=CC=CC(=C1)B(O)O CNP0573828.0 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.279 C=CCC1=CC=CC(=N1)C(=O)C CNP0172116.0 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.279 CC(=O)C1=CC=CC(=C1)N=C=S CNP0391445.0 [0,2,0,0,0,0|0,1,0]=3 826 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.279 O=C([O-])C1=CC=C[N+](=C1)CCO CNP0600719.0 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.279 O=[N+]([O-])C1=CC=CC(=C1)C=NO CNP0519818.0 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,0,1,1,0,0|1,0,0]=3 830 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,0,1,1,0,0|1,1,0]=4 831 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,1,1,0,0|0,0,0]=2 832 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,1,1,0,0|1,0,1]=4 833 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,1,1,0,0|1,0,1]=4 834 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,1,1,0,0|1,0,0]=3 835 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,1,1,0,0|1,0,0]=3 836 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,1,1,0,0|2,0,0]=4 837 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,0,1,1,0,0|0,0,2]=4 838 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,0,1,1,0,0|2,0,0]=4 839 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,2]=4 840 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,2]=4 841 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,1]=4 842 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,1]=4 843 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,1]=4 844 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,1]=4 845 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,1]=4 846 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,1]=4 847 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,0]=2 848 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,2]=4 849 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,2]=4 850 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,1,0|2,0,0]=4 851 B12R2.202 CC1=CC2=C(C=CC=C2N1)C CNP0325011.0 [0,0,0,1,0,1|2,0,0]=4 852 B12R2.202 C[C@@H]1CC2=CC=CC(=C2C1)O CNP0223083.1 [0,0,0,1,0,1|1,0,1]=4 853 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,0,0,1,0,1|0,0,0]=2 854 B12R2.202 O=C1NC2=C(C=CC=C2O1)O CNP0492903.0 [0,0,0,1,0,1|1,0,0]=3 855 B12R2.606 N=C1NC2=CC=C(C=C2N1)O CNP0547413.0 [0,0,0,1,0,1|2,0,0]=4 856 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,0,0,1,0,1|2,0,0]=4 857 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,0,0,1,0,1|2,0,0]=4 858 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,0,0,1,0,1|1,0,0]=3 859 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,0,0,1,0,1|1,0,0]=3 860 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,0,0,1,0,1|1,0,0]=3 861 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,0,0,1,0,1|0,0,0]=2 862 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,0,0,1,0,1|0,0,0]=2 863 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,0,0,1,0,1|2,0,0]=4 864 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,0,0,1,0,1|1,0,0]=3 865 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,0,0,1,0,1|1,0,0]=3 866 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,0,0,1,0,1|1,0,0]=3 867 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,0,0,1,0,1|1,0,1]=4 868 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|1,0,1]=4 870 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|0,0,0]=2 871 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|0,0,0]=2 872 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|1,0,0]=3 873 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|0,0,0]=2 875 B12R2.1094 CC1=CC=CC2=C1C(=O)C2=O CNP0039191.0 [0,1,0,1,0,0|1,0,1]=4 876 B12R2.1225 O=C1OC2=C(C=CC(=C12)O)O CNP0076738.0 [0,1,0,1,0,0|1,0,0]=3 877 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,1,0,1,0,0|0,0,0]=2 878 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,1,0,1,0|1,0,1]=4 879 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [1,0,0,0,1,0|2,0,0]=4 880 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,0,0,0,1,0|2,0,0]=4 881 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [1,0,0,0,1,0|2,0,0]=4 882 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [1,0,0,0,1,0|1,0,1]=4 883 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,0,0,0,1,0|1,0,0]=3 884 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [1,0,0,0,1,0|2,0,0]=4 885 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,0,0,0,1,0|2,0,0]=4 886 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,0,0,0,1,0|2,0,0]=4 887 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|1,0,0]=3 888 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|1,0,0]=3 889 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|1,0,0]=3 890 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|1,0,0]=3 891 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|1,0,0]=3 892 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,0,0,0,1,0|2,0,0]=4 893 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,0,0,0,1,0|2,0,0]=4 894 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|1,0,0]=3 895 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [1,0,0,0,1,0|2,0,0]=4 896 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|2,0,0]=4 897 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 898 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 899 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|2,0,0]=4 901 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|2,0,0]=4 902 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|2,0,0]=4 903 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|2,0,0]=4 904 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,0,1|2,0,0]=4 905 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,1|1,0,0]=3 906 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,1|1,0,0]=3 907 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,1|1,0,0]=3 908 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,1|0,0,0]=2 909 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,1|0,0,0]=2 910 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,1|0,0,0]=2 911 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,0,1|1,0,0]=3 912 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [1,0,0,0,0,1|1,0,1]=4 913 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,1|0,1,0]=3 914 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,0,1|1,0,1]=4 915 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,0,0,0,0,1|1,0,1]=4 916 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,0,1|2,0,0]=4 917 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,0,1|1,0,1]=4 918 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,0,1|1,0,1]=4 919 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,0,1|1,0,1]=4 920 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,0,1|1,0,1]=4 921 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,0,1|2,0,0]=4 922 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,0,0,0,0,1|1,1,0]=4 923 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,0,1|1,0,0]=3 924 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,0,1|2,0,0]=4 925 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,0,1|1,0,0]=3 926 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,0,0,0,0,1|1,1,0]=4 927 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,0,1|1,0,0]=3 928 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,0,1|1,0,0]=3 929 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,0,1|1,0,0]=3 930 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,0,1|2,0,0]=4 931 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,0,1|1,0,0]=3 932 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,0,0,0,0,2|1,0,0]=3 933 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,0,0,0,0,2|2,0,0]=4 934 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,0,0,0,0,2|2,0,0]=4 935 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,0,0,0,0,2|1,0,0]=3 936 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,0,0,0,0,2|1,0,0]=3 937 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,0,0,0,0,2|1,0,0]=3