0 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 CC1=CN=C(C(=C1)[N+](=O)[O-])N CNP0506116.0 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.167 CN1C=CC(=O)C(=C1)C(=O)N CNP0212515.0 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Br CNP0575206.0 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0583325.0 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,0,0,0,0,0|0,0,1]=2 34 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,0,0,0,0,0|0,0,0]=1 50 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,0,0,0,0,0|0,2,1]=4 56 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,0,0,0,0,0|1,1,0]=3 74 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,0,0,0,0,0|1,1,0]=3 86 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,0,0,0,0,0|0,0,0]=1 92 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,0,0,0,0,0|1,0,0]=2 95 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,0,0,0,0,0|1,0,2]=4 99 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.113 C[N+]1=CC=CC(=C1)[N+](=O)[O-] CNP0526184.0 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,0,0,0,0,0|3,0,0]=4 135 B12R1.46 CNC1=CC=C(C=C1C(=O)O)O CNP0196868.0 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.46 COC1=CC=C(C=C1C(=O)O)O CNP0241896.0 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.46 COC1=CC=C(C=C1C(C)C)C CNP0102635.0 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.128 CC(C)(C)C1=CC(=CC=C1O)O CNP0392762.0 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.128 CC1=CC=C(C(=N1)C(C)(C)C)O CNP0040970.0 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.128 O=P(O)(O)C1=CC(=CC=C1O)Br CNP0473049.0 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1O)O CNP0449853.0 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,1,0,0,0,0|0,0,0]=1 143 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,1,0,0,0,0|0,0,0]=1 145 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.232 CC(=O)N1C=C(C(=O)NC1=O)C CNP0115448.0 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.232 CC1=CC(=C(C=C1Cl)N)[N+](=O)[O-] CNP0600214.0 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.232 CC1=CC(=C(C=C1I)C)[N+](=O)[O-] CNP0535300.0 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.354 CC(=NO)C1=CC(=CC=C1O)C CNP0288898.0 [0,1,0,0,0,0|0,0,1]=2 156 B12R1.354 CC(=NO)C1=CC(=CC=C1O)Cl CNP0051443.0 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [0,1,0,0,0,0|0,0,2]=3 159 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [0,1,0,0,0,0|0,0,2]=3 160 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [0,1,0,0,0,0|0,0,2]=3 161 B12R1.354 CN(N=O)C1=CC(=CC=C1O)O CNP0074187.0 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,1,0,0,0,0|0,0,0]=1 165 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.453 N#CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0592268.0 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.453 O=CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0571042.0 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1O)CO CNP0520804.0 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.511 CC1=CC(=C(C(=C1)[N+](=O)[O-])N)Br CNP0529443.0 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.511 CC1=CC(=C(C(=C1)[N+](=O)[O-])N)Cl CNP0569158.0 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br CNP0224168.0 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.511 NC1=C(C=C(C=C1C(=O)O)O)O CNP0023505.0 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.511 O=C(O)C1=CC(=CC(=C1O)Br)Br CNP0017991.0 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.511 O=C(O)C1=CC(=CC(=C1O)I)I CNP0359648.0 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.511 O=C(O)C1=CC(=CC(=C1O)O)O CNP0538663.0 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.894 C=C(C)C1=C(C=CC(=C1C)O)O CNP0482771.0 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.894 CC1=C(C=CC(=C1C(=O)O)O)O CNP0439844.0 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.894 CC1=C(C=CC(=C1C(C)C)O)O CNP0551899.0 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [0,1,0,0,0,0|1,0,2]=4 182 B12R1.894 CC1=CC=C(C(=C1C(=O)O)O)Br CNP0437652.0 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.894 CC1=CC=C(C(=C1C)C(=O)O)C CNP0199373.0 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.894 NC1=CC=C(C(=C1N)C(=O)O)O CNP0308763.0 [0,1,0,0,0,0|2,0,0]=3 186 B12R2.132 CC1=CC=C2C=NN(C2=C1)C CNP0609157.0 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,0,0,1,0,0|1,0,0]=2 188 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,0,0,1,0,0|1,0,0]=2 190 B12R2.1225 O=C1OC2=C(C=CC(=C12)O)O CNP0076738.0 [0,0,0,1,0,0|2,0,0]=3 191 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,0,0,0,1,0|3,0,0]=4 192 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,0,0,0,1,0|3,0,0]=4 193 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,0,0,0,1,0|2,0,0]=3 194 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,0,0,0,1,0|2,0,0]=3 195 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,0,0,0,1,0|3,0,0]=4 196 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,0,0,0,0,1|0,0,0]=1 197 B12R1.127 CC(=O)C[N+]1=CC(=CC=C1N)C CNP0498954.0 [0,0,0,0,0,1|2,0,0]=3 198 B12R1.127 CC(=O)C[N+]1=CC(=CC=C1N)Cl CNP0537038.0 [0,0,0,0,0,1|3,0,0]=4 199 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,0,0,0,0,1|1,0,0]=2 200 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,0,0,0,0,1|2,0,0]=3 201 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,0,0,0,0,1|1,0,0]=2 202 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)Cl CNP0051150.0 [0,0,0,0,0,1|2,0,0]=3 203 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,0,0,0,0,1|1,0,0]=2 204 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,0,0,0,0,1|1,0,0]=2 205 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,0,0,0,0,1|2,0,0]=3 206 B12R1.127 O=C1C=CC(=O)C(=C1)CC(=O)O CNP0040825.0 [0,0,0,0,0,1|2,0,1]=4 207 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|2,0,0]=4 208 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [1,0,1,0,0,0|1,0,1]=4 209 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [1,0,1,0,0,0|1,0,1]=4 210 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [2,0,0,0,0,0|0,0,0]=2 212 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [2,0,0,0,0,0|0,0,1]=3 217 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [2,0,0,0,0,0|1,0,1]=4 221 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [2,0,0,0,0,0|0,0,1]=3 229 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|1,0,1]=4 233 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [2,0,0,0,0,0|0,0,1]=3 235 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [2,0,0,0,0,0|0,1,1]=4 236 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [2,0,0,0,0,0|1,0,0]=3 243 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [2,0,0,0,0,0|1,0,1]=4 245 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [2,0,0,0,0,0|1,0,1]=4 246 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [2,0,0,0,0,0|0,0,0]=2 248 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [2,0,0,0,0,0|0,0,2]=4 249 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [2,0,0,0,0,0|1,0,1]=4 261 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [2,0,0,0,0,0|0,0,0]=2 268 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [2,0,0,0,0,0|1,0,0]=3 277 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [2,0,0,0,0,0|1,1,0]=4 278 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [2,0,0,0,0,0|0,0,1]=3 280 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [2,0,0,0,0,0|1,0,1]=4 292 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|0,0,0]=2 297 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,1]=4 304 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|0,0,2]=4 305 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,1]=4 306 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|0,0,2]=4 307 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|1,0,1]=4 308 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 310 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|2,0,0]=4 331 B11R0.85 O=C(O)C=CC(=O)C=CC(=O)O CNP0356752.0 [0,1,1,0,0,0|2,0,0]=4 332 B11R0.162 C/C=C/C=C(\CO)/[C@H](O)C(=O)C CNP0587814.1 [0,1,1,0,0,0|1,0,1]=4 333 B11R0.149 CC(=O)C=C(O)C(=CC(=O)C)O CNP0599384.0 [0,1,1,0,0,0|1,0,0]=3 334 B11R1.8 COC1=CC(=CC(=C1C)O)C CNP0174177.0 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.8 NC1=C(C=C(C=C1C=O)Br)Br CNP0153036.0 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.8 O=CC1=CC(=CC(=C1O)Br)Br CNP0248962.0 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [1,1,0,0,0,0|0,0,1]=3 353 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [1,1,0,0,0,0|0,0,1]=3 360 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [1,1,0,0,0,0|0,0,0]=2 375 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [1,1,0,0,0,0|0,0,1]=3 378 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [1,1,0,0,0,0|0,0,0]=2 382 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [1,1,0,0,0,0|0,0,2]=4 383 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.87 O=P(O)(O)C1=CC=CC=C1O CNP0471602.0 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [1,1,0,0,0,0|0,0,0]=2 403 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [1,1,0,0,0,0|0,0,0]=2 404 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [1,1,0,0,0,0|0,0,0]=2 413 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [1,1,0,0,0,0|0,0,0]=2 430 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [1,1,0,0,0,0|0,0,0]=2 431 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [1,1,0,0,0,0|0,0,0]=2 432 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|0,0,0]=2 459 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|0,0,0]=2 460 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|0,0,2]=4 471 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [1,1,0,0,0,0|0,0,0]=2 487 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C CNP0172814.0 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O CNP0398097.0 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.155 CC1=CC=CC(=C1)C(C)(C)C CNP0123429.0 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [1,1,0,0,0,0|0,0,2]=4 507 B11R1.155 CC1=CC=CC(=C1)[N+](C)(C)C CNP0546596.0 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.266 C=C(C)C1=CC=NC(=C1)CC CNP0500796.0 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [1,1,0,0,0,0|0,0,1]=3 510 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [1,1,0,0,0,0|0,0,0]=2 511 B11R1.266 CCC1=CN=CC(=N1)C(=O)C CNP0374683.0 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [1,1,0,0,0,0|0,0,0]=2 513 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [1,1,0,0,0,0|1,0,1]=4 519 B11R1.673 CC(=O)C1=C(N(C=C1C)C)C CNP0055071.0 [0,1,0,0,1,0|2,0,0]=4 520 B11R1.673 CC(=O)[C@@H]1C(=O)C=C(C1=O)C CNP0363698.1 [0,1,0,0,1,0|0,0,2]=4 521 B11R1.673 CC(=O)[C@H]1C(=O)C=C(C1=O)C CNP0363698.2 [0,1,0,0,1,0|0,0,2]=4 522 B11R1.875 COC(=O)C1=C(NC=C1C)C CNP0394870.0 [0,1,0,0,1,0|2,0,0]=4 523 B13R1.97 COC1=CC=C(C(=C1)CC(=O)N)O CNP0120802.0 [0,1,0,0,0,1|1,0,0]=3 524 B13R1.97 COC1=CC=C(C(=C1)CC(=O)O)O CNP0528791.0 [0,1,0,0,0,1|1,0,0]=3 525 B13R1.876 CC(=O)CC1=CC(=C(C=C1C)C)C CNP0295680.0 [0,1,0,0,0,1|1,0,0]=3 526 B13R1.876 NC(=O)CC1=CC(=C(C=C1O)Br)O CNP0313752.0 [0,1,0,0,0,1|2,0,0]=4 527 B13R1.876 O=C(O)CC1=CC(=C(C=C1O)O)O CNP0083814.0 [0,1,0,0,0,1|2,0,0]=4 528 B13R1.894 CC1=CC=C(C(=C1)OS(=O)(=O)O)O CNP0319385.0 [0,1,0,0,0,1|2,0,0]=4 529 B13R1.897 CC(=O)C(=O)C1=CC(=CC=C1C)O CNP0219455.0 [0,1,0,0,0,1|2,0,0]=4 530 B13R1.897 O=C(O)C(=O)C1=CC(=CC=C1O)O CNP0386409.0 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.2816 O=C(O)CC1=CC(=CC(=C1O)O)O CNP0317870.0 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.2872 COC(=O)CC1=CC(=CC=C1O)O CNP0306666.0 [0,1,0,0,0,1|1,0,0]=3 533 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C CNP0057308.0 [0,1,0,0,0,1|0,0,0]=2 534 B13R1.7910 O=C(O)C1=CC(=CC(=O)C(=C1)O)O CNP0386274.0 [0,1,0,0,0,1|2,0,0]=4 535 B13R1.7910 O=C(O)C1=CC(=O)C(=CC(=C1)O)O CNP0604744.0 [0,1,0,0,0,1|2,0,0]=4 536 B13R1.7910 O=C(O)C1=CC(=O)C=C(C(=C1)O)O CNP0073815.0 [0,1,0,0,0,1|2,0,0]=4 537 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)O CNP0612004.0 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.2209 COC(=O)C1=C[N+](=CC=C1OC)[O-] CNP0593577.0 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.2279 CC1=NC=C(C(=C1O)C(=O)O)CO CNP0244996.0 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.2279 COC1=C(C(=O)N(C=C1)C)C(=O)O CNP0501796.0 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.2279 COC1=CC=C(C(=C1C(=O)O)C)Br CNP0462978.0 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.2398 COC1=CC(=C(C=C1C(=O)C)O)O CNP0173358.0 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.2398 COC1=CC(=C(C=C1C(=O)O)Cl)N CNP0575388.0 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.2430 COC1=CC=C(C(=C1)C(=O)C)OC CNP0220465.0 [0,2,0,0,0,0|0,0,0]=2 545 B13R1.2430 COC1=CC=C(C(=C1)[N+](=O)[O-])OC CNP0022924.0 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.2430 COC1=CC=C(C=C1[N+](=O)[O-])CO CNP0577869.0 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.3255 COC1=C(C=C(C=C1C(=O)O)Br)Br CNP0129334.0 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.98 COC1=CC=C(C(=C1)C(C)(C)C)O CNP0141704.0 [0,2,0,0,0,0|1,0,1]=4 549 B13R1.2815 CC1=CC(=C(C(=C1)C(C)(C)C)O)O CNP0082713.0 [0,2,0,0,0,0|1,0,1]=4 550 B13R1.651 COC1=CC(=C(C=C1C)O)C(C)C CNP0117764.0 [0,2,0,0,0,0|1,0,1]=4 551 B13R1.652 COC1=CC(=C(C=C1Br)C(=O)C)O CNP0197660.0 [0,2,0,0,0,0|1,0,0]=3 552 B13R1.652 COC1=CC(=C(C=C1C)C(=O)O)C CNP0473530.0 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.652 COC1=CC(=C(C=C1O)C(=O)C)O CNP0205734.0 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.1807 CCC(=O)C1=CC(=C(C=C1O)O)O CNP0201482.0 [0,2,0,0,0,0|1,0,0]=3 555 B13R1.2811 C=C(C)C1=CC(=C(C(=C1C)C)C)C CNP0611550.0 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.2811 CC(=O)C1=CC(=C(C(=C1O)C)O)C CNP0250819.0 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.2811 CC(=O)C1=CC(=C(C(=C1O)O)O)C CNP0137870.0 [0,2,0,0,0,0|0,0,0]=2 558 B13R1.2811 CC1=CC(=C(C(=C1C)C)C)C(=O)O CNP0451162.0 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.2812 CC(=O)C1=C(C=C(C(=C1C)C)O)O CNP0504557.0 [0,2,0,0,0,0|0,0,0]=2 560 B13R1.2812 CC(=O)C1=C(C=C(C(=C1O)C)O)O CNP0105460.0 [0,2,0,0,0,0|0,0,0]=2 561 B13R1.2812 CC(=O)C1=C(C=C(C(=C1O)O)O)O CNP0328473.0 [0,2,0,0,0,0|1,0,0]=3 562 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)O)O)Br CNP0498175.0 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)O)O)Cl CNP0345358.0 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.2812 CC1=C(C=C(C(=C1C)C(=O)O)O)O CNP0302993.0 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.2812 CC1=CC(=C(C(=C1C(=O)O)O)C)O CNP0165507.0 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C CNP0441286.0 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.446 CC=CC(=O)C1=CC(=CC=C1C)C CNP0598613.0 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.446 CC=CC(=O)C1=CC(=CC=C1O)O CNP0132941.0 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br CNP0606333.0 [0,2,0,0,0,0|1,0,0]=3 570 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)O CNP0176589.0 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.446 NCCC(=O)C1=CC(=CC=C1N)O CNP0370698.0 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.2431 COC(=O)C1=CC(=CC=C1O)OC CNP0150124.0 [0,2,0,0,0,0|0,0,0]=2 573 B13R1.4789 COC(=O)C1=CC(=CC(=C1O)Br)Br CNP0018125.0 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O CNP0076310.0 [0,2,0,0,0,0|0,0,1]=3 575 B13R1.13 CC(=O)C1=CC=C(C(=C1)C(=O)C)O CNP0162097.0 [0,2,0,0,0,0|0,0,0]=2 576 B13R1.13 CC(=O)C1=CC=C(C(=C1)C(=O)O)O CNP0528188.0 [0,2,0,0,0,0|1,0,0]=3 577 B13R1.13 C[C@H](O)C1=CC=C(C(=C1)[N+](=O)[O-])O CNP0524591.1 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.13 O=C(O)C1=CC=C(C(=C1)C(=O)O)O CNP0159995.0 [0,2,0,0,0,0|1,0,1]=4 579 B13R1.387 CCCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0525485.0 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.387 CCCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0535598.0 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.387 CCOC1=CC=C(C(=C1)C(=O)C)N CNP0066031.0 [0,2,0,0,0,0|1,0,0]=3 582 B13R1.387 COCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0550578.0 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.387 NCCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0562839.0 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.387 O=[N+]([O-])C1=CC(=CC=C1O)CCO CNP0590404.0 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.437 COC1=CC(=C(C(=C1)C(=O)O)N)O CNP0265407.0 [0,2,0,0,0,0|2,0,0]=4 586 B13R1.299 COC1=CC(=CC(=C1O)C(=O)C)O CNP0597001.0 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.2818 CC(=O)C1=C(C(=O)C=C(C1=O)N)N CNP0151691.0 [0,2,0,0,0,0|1,0,1]=4 588 B13R1.2818 CC1=CC(=C(C(=C1C)C(=O)O)C)C CNP0467808.0 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.3340 COC1=C(C=CC(=C1C(=O)C)O)O CNP0290123.0 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.3340 COC1=C(C=CC(=C1C(=O)O)O)O CNP0171533.0 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,0,1,1,0,0|2,0,0]=4 592 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,0,1,1,0,0|2,0,0]=4 593 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,1,1,0,0|1,0,1]=4 594 B11R1.314 CC(=O)C(=O)C1=CC=C(O1)C CNP0165601.0 [0,0,1,1,0,0|1,0,0]=3 595 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,0,1,1,0,0|2,0,0]=4 596 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|1,0,1]=4 597 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [1,0,0,1,0,0|1,0,1]=4 598 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,0,0,1,0,0|1,0,1]=4 599 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,0,0,1,0,0|1,0,1]=4 600 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,1,0,0|2,0,0]=4 601 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [1,0,0,1,0,0|1,0,0]=3 602 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|2,0,0]=4 603 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|2,0,0]=4 604 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|1,1,0]=4 605 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,1]=4 606 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|1,0,0]=3 607 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,0]=3 608 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|0,0,0]=2 609 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|2,0,0]=4 610 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|2,0,0]=4 611 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|1,1,0]=4 612 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|2,0,0]=4 613 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [1,0,0,1,0,0|1,0,1]=4 614 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [1,0,0,1,0,0|1,0,0]=3 615 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [1,0,0,1,0,0|1,0,0]=3 616 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [1,0,0,1,0,0|0,0,0]=2 617 B11R2.67 CC1=C2C(=O)CCN2C=C1 CNP0301165.0 [0,0,0,1,1,0|2,0,0]=4 618 B13R2.155 CC1=CC=C2C=CC(=NC2=C1)C CNP0224653.0 [0,0,0,1,0,1|2,0,0]=4 619 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,0,0,1,0,1|1,0,1]=4 620 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,0,0,1,0,1|2,0,0]=4 621 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)C CNP0309408.0 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CNP0192947.0 [0,1,0,1,0,0|0,0,1]=3 624 B13R2.162 CC1=CC=C2OCCC(=O)C2=C1 CNP0104905.0 [0,1,0,1,0,0|0,0,0]=2 625 B13R2.162 CC1=CC=C2SCCC(=O)C2=C1 CNP0580059.0 [0,1,0,1,0,0|0,1,0]=3 626 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 CNP0056600.0 [0,1,0,1,0,0|1,0,1]=4 627 B13R2.162 O=C1C=COC2=CC=C(C=C12)Br CNP0067975.0 [0,1,0,1,0,0|1,0,1]=4 628 B13R2.162 O=C1C=COC2=CC=C(C=C12)Cl CNP0240355.0 [0,1,0,1,0,0|1,0,1]=4 629 B13R2.162 O=C1CCOC2=CC=C(C=C12)Cl CNP0034152.0 [0,1,0,1,0,0|1,0,0]=3 630 B13R2.162 O=C1CCSC2=CC=C(C=C12)Cl CNP0116948.0 [0,1,0,1,0,0|1,1,0]=4 631 B13R2.1876 COC1=CC=C(C2=C1C(=O)C2)Br CNP0028928.0 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.13515 CC1=CC(=C2C(=O)CC2=C1C)C CNP0034532.0 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.3028 CC1=CC2=C(C(=O)OC2=CO1)C CNP0537519.0 [0,1,0,1,0,0|1,0,0]=3 634 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CNP0580911.0 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.3028 CC1=CC=C2OC(C(=O)C2=C1)C CNP0531484.0 [0,1,0,1,0,0|0,0,0]=2 636 B13R2.5151 CC1=CC=C(C2=C1C(=O)CC2)O CNP0198660.0 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.5151 CC1=CC=C(C2=C1COC2=O)C CNP0060357.0 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.5151 CC1=CC=C(C2=C1COC2=O)O CNP0162510.0 [0,1,0,1,0,0|0,0,0]=2 639 B13R2.5158 CC1=CC=C(C2=C1C(=O)C2=O)C CNP0042772.0 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.4033 CC1=CC(=C2CC(=O)C2=C1C)C CNP0062418.0 [0,1,0,1,0,0|1,0,0]=3 641 B9R0.53 CC(=O)C=C(O)C=C(O)O CNP0479225.0 [0,0,1,0,1,0|2,0,0]=4 642 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [1,0,0,0,1,0|2,0,0]=4 643 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [1,0,0,0,1,0|2,0,0]=4 644 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,1,0|1,0,0]=3 645 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,0,0,0,1,0|2,0,0]=4 646 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [1,0,0,0,1,0|2,0,0]=4 647 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [1,0,0,0,1,0|2,0,0]=4 648 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [1,0,0,0,1,0|1,0,0]=3 649 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [1,0,0,0,1,0|1,0,0]=3 650 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [1,0,0,0,1,0|1,0,0]=3 651 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [1,0,0,0,1,0|1,0,0]=3 652 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [1,0,0,0,1,0|2,0,0]=4 653 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [1,0,0,0,1,0|2,0,0]=4 654 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [1,0,0,0,1,0|2,0,0]=4 655 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [1,0,0,0,1,0|2,0,0]=4 656 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [1,0,0,0,1,0|2,0,0]=4 657 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [1,0,0,0,1,0|2,0,0]=4 658 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [1,0,0,0,0,1|2,0,0]=4 659 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [1,0,0,0,0,1|0,0,0]=2 660 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [1,0,0,0,0,1|1,0,0]=3 661 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [1,0,0,0,0,1|1,0,0]=3 662 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [1,0,0,0,0,1|1,0,0]=3 663 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [1,0,0,0,0,1|1,0,0]=3 664 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [1,0,0,0,0,1|0,0,0]=2 665 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [1,0,0,0,0,1|1,0,0]=3 666 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [1,0,0,0,0,1|1,0,0]=3 667 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [1,0,0,0,0,1|2,0,0]=4 668 B13R1.893 C=C(C)C#CC1=CC(=CC=C1O)O CNP0240630.0 [0,0,0,0,0,2|2,0,0]=4 669 B13R1.893 CC(=CCC1=CC(=CC=C1O)O)C CNP0110617.0 [0,0,0,0,0,2|2,0,0]=4 670 B13R1.893 CC(=O)OCC1=CC(=O)OC=C1O CNP0156057.0 [0,0,0,0,0,2|2,0,0]=4 671 B13R1.893 O=C(O)C=CC1=CC(=CC=C1O)O CNP0110380.0 [0,0,0,0,0,2|2,0,0]=4