0 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,0,0,0,0,0|1,2,1]=4 10 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.61 NC(=O)C1C=NC=CC1=O CNP0547525.0 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,0,0,0,0,0|0,0,0]=0 30 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,0,0,0,0,0|0,1,0]=1 31 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,0,0,0,0,0|0,0,1]=1 32 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,0,0,0,0,0|0,0,1]=1 33 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,0,0,0,0,0|1,0,1]=2 38 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.61 O=C(O)[C@H]1NCC=C[C@H]1O CNP0245446.1 [0,0,0,0,0,0|1,0,3]=4 40 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,0,0,0,0,0|0,0,1]=1 41 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,0,0,0,0,0|0,0,1]=1 42 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,0,0,0,0,0|0,0,1]=1 43 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,0,0,0,0,0|0,1,1]=2 44 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,0,0,0,0,0|1,0,1]=2 45 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|2,1,0]=4 62 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|2,1,0]=4 68 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|0,0,0]=1 72 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|0,1,0]=2 79 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|0,0,1]=2 80 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|0,0,1]=2 81 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|0,0,1]=2 82 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|1,0,1]=3 86 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,0,0,0|1,1,1]=4 104 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,0,0,0,0|1,0,0]=2 112 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,0,0,0,0|0,0,0]=1 118 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,0,0,0,0|0,0,1]=2 120 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,0,0,0,0,0|1,1,1]=4 121 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,1,0,0,0,0|0,0,1]=2 141 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [0,1,0,0,0,0|0,0,1]=2 142 B11R1.53 O=[N+]([O-])C1=CC=CC=C1SCl CNP0516221.0 [0,1,0,0,0,0|1,1,1]=4 143 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.87 CC1=CC=CC=C1S(=O)(=O)N CNP0258970.0 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.87 CC1=CC=NC=C1S(=O)(=O)O CNP0476444.0 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.87 NC1=CC=CC=C1S(=O)(=O)N CNP0271391.0 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.87 O=P(O)(O)C1=CC=CC=C1O CNP0471602.0 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.156 NC(=S)C1=C(C=CC=C1Cl)Cl CNP0067522.0 [0,1,0,0,0,0|2,1,0]=4 159 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,1,0,0,0,0|0,0,0]=1 172 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]=4 173 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]=4 174 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,1,0,0,0,0|0,0,0]=1 176 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,1,0,0,0,0|0,0,1]=2 177 B11R1.159 O=C(O)C1=CC=C[C@@H]([C@H]1O)O CNP0176375.1 [0,1,0,0,0,0|0,0,2]=3 178 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,1,0,0,0,0|0,0,1]=2 180 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CNP0343495.0 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.166 NC1=NC=C(C(=O)N1)C(=O)O CNP0397783.0 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,1,0,0,0,0|0,0,0]=1 205 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.166 O=C(O)C1=CN=C(N=C1O)O CNP0502839.0 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.166 O=C(O)C1=CNC(=O)NC1=O CNP0610128.0 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.167 CN1C=CC(=O)C(=C1)C(=O)N CNP0212515.0 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,1,0,0,0,0|0,0,0]=1 224 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Br CNP0575206.0 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0583325.0 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,1,0,0,0,0|0,0,0]=1 228 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,0,0|0,0,0]=1 239 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,0,0|0,0,0]=1 244 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,1,0,0,0|1,0,0]=2 245 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,0,1,0,0,0|1,0,2]=4 246 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,0,1,0,0,0|1,0,2]=4 247 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,1,0,0|2,1,0]=4 249 B11R2.1 BrC1=NOC2=NC=CC=C12 CNP0439531.0 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|2,1,0]=4 255 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.1 ClC1=NOC2=NC=CC=C12 CNP0066661.0 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.1 N=C1ON=C2C1=CC=CN2 CNP0272100.0 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.1 N=C1ON=C2C1=CNC=C2 CNP0283866.0 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.1 N=C1ON=C2N1C=CC=C2 CNP0197743.0 [0,0,0,1,0,0|3,0,0]=4 260 B11R2.1 N=C1ONC2=CC=CN=C12 CNP0051116.0 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.1 N=C1ONC2=CC=NC=C12 CNP0173963.0 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.1 N=C1ONC2=CN=CC=C12 CNP0352829.0 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.1 NC1=C2C=CC=NC2=NO1 CNP0001255.0 [0,0,0,1,0,0|3,0,0]=4 264 B11R2.1 NC1=C2C=CN=CC2=NO1 CNP0293891.0 [0,0,0,1,0,0|3,0,0]=4 265 B11R2.1 NC1=C2C=NC=CC2=NO1 CNP0277328.0 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.1 NC1=C2N=CC=CC2=NO1 CNP0001258.0 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.1 NC1=NOC2=CC=CN=C12 CNP0053623.0 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.1 NC1=NOC2=CC=NC=C12 CNP0001313.0 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.1 NC1=NOC2=CN=CC=C12 CNP0001314.0 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.1 NC1=NOC2=NC=CC=C12 CNP0001338.0 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,1,0,0|2,1,0]=4 274 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|2,0,0]=3 276 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|2,0,0]=3 277 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|1,0,0]=2 279 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,0,0,1,0,0|3,0,0]=4 284 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|3,0,0]=4 285 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,1,0,0|1,1,0]=3 286 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|1,0,0]=2 287 B11R2.1 OC1=C2C=CC=CN2N=N1 CNP0199539.0 [0,0,0,1,0,0|3,0,0]=4 288 B11R2.1 OC1=C2C=CNC=C2N=N1 CNP0067928.0 [0,0,0,1,0,0|3,0,0]=4 289 B11R2.1 OC1=C2NC=CC=C2N=N1 CNP0414140.0 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|2,0,0]=3 291 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|2,0,0]=3 292 B11R2.1 OC1=NN=C2C1=CNC=C2 CNP0001061.0 [0,0,0,1,0,0|3,0,0]=4 293 B11R2.1 OC1=NNC2=CC=NC=C12 CNP0001328.0 [0,0,0,1,0,0|3,0,0]=4 294 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|1,0,0]=2 295 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,0,0,1,0,0|3,0,0]=4 296 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,0,0,1,0,0|2,0,1]=4 297 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,0,0,1,0,0|2,0,1]=4 298 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,0,0|2,0,1]=4 299 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,0,0|2,0,1]=4 300 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,0,0,1,0,0|2,0,0]=3 301 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,0,0,1,0,0|2,0,0]=3 302 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,0,0,0,1,0|1,0,0]=2 303 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,0,0,1,0|3,0,0]=4 304 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,0,0,1,0|2,0,0]=3 305 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,0,0,1,0|3,0,0]=4 306 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,0,0,0,1,0|3,0,0]=4 307 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,0,0,0,1,0|3,0,0]=4 308 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,0,0,1,0|2,0,0]=3 309 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,0,0,0,1,0|2,0,0]=3 310 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,0,0,1,0|2,0,0]=3 312 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,0,0,0,1,0|2,0,0]=3 313 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,0,0,0,1,0|3,0,0]=4 315 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,0,0,0,1,0|2,0,0]=3 317 B9R1.41 O=C(O)C1=NON=C1O CNP0539501.0 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.41 O=C(O)C1=NSN=C1O CNP0549412.0 [0,0,0,0,1,0|3,0,0]=4 319 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,0,0,0,0,1|3,0,0]=4 320 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,0,0,0,0,1|3,0,0]=4 321 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,0,0,0,0,1|2,0,0]=3 322 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,0,0,0,0,1|2,0,0]=3 323 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,0,0,0,0,1|2,0,0]=3 324 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,0,0,0,0,1|1,0,0]=2 325 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,0,0,0,0,1|2,0,0]=3 326 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,0,0,0,0,1|2,0,0]=3 327 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,0,0,0,0,1|2,0,1]=4 328 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,0,0,0,0,1|2,0,1]=4 329 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,0,0,0,0,1|2,0,1]=4 330 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,0,0,0,0,1|2,0,0]=3 331 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,0,0,0,0,1|1,0,0]=2 332 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,0,0,0,0,1|0,0,0]=1 333 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,0,0,0,0,1|1,0,1]=3 334 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|1,0,1]=4 335 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|0,0,2]=4 336 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [1,0,1,0,0,0|2,0,0]=4 337 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [1,0,1,0,0,0|1,0,1]=4 338 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [1,0,1,0,0,0|1,0,1]=4 339 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|0,0,2]=4 340 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|1,0,0]=3 341 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|1,0,1]=4 342 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,1]=4 346 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 350 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 351 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 352 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 355 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 357 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 358 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,1]=3 361 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,1]=4 362 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,1]=4 363 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 364 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 365 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,1]=3 366 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 367 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [2,0,0,0,0,0|1,0,1]=4 368 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [2,0,0,0,0,0|1,0,1]=4 369 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|1,0,1]=4 370 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [2,0,0,0,0,0|1,0,1]=4 371 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [2,0,0,0,0,0|1,0,1]=4 372 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [2,0,0,0,0,0|0,0,1]=3 373 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|0,1,1]=4 374 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,1]=4 375 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [2,0,0,0,0,0|1,0,0]=3 379 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [2,0,0,0,0,0|1,1,0]=4 380 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [2,0,0,0,0,0|0,0,1]=3 381 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [2,0,0,0,0,0|0,0,1]=3 382 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [2,0,0,0,0,0|1,0,0]=3 386 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [2,0,0,0,0,0|0,0,0]=2 389 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [2,0,0,0,0,0|1,0,0]=3 391 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [2,0,0,0,0,0|1,0,0]=3 392 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [2,0,0,0,0,0|1,1,0]=4 393 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [2,0,0,0,0,0|0,0,0]=2 394 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [2,0,0,0,0,0|0,0,2]=4 395 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [2,0,0,0,0,0|0,0,2]=4 396 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [2,0,0,0,0,0|0,0,2]=4 397 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [2,0,0,0,0,0|1,0,1]=4 398 B10R0.55 CNC(=O)C=CC=CC(=O)O CNP0109951.0 [0,1,1,0,0,0|2,0,0]=4 399 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [0,1,1,0,0,0|2,0,0]=4 400 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|1,0,0]=3 401 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|0,0,1]=3 424 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|0,0,1]=3 425 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|0,0,0]=2 428 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|0,1,0]=3 435 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|0,0,1]=3 436 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|0,1,0]=3 460 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,0]=2 474 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,1]=3 478 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,1]=3 479 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,2]=4 480 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,2]=4 481 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [1,1,0,0,0,0|0,0,2]=4 520 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [1,1,0,0,0,0|0,0,2]=4 525 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [1,1,0,0,0,0|0,0,0]=2 535 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.4 CC1=CC=NC=C1C=NO CNP0030608.0 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.4 C[N+]1=CC=CC=C1C=NO CNP0581381.0 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|0,0,0]=2 551 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,1]=3 552 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|0,0,0]=2 554 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,1,0,0,0,0|0,0,0]=2 561 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [1,1,0,0,0,0|0,0,1]=3 564 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [1,1,0,0,0,0|0,0,1]=3 566 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|0,0,0]=2 573 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|0,0,0]=2 579 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [1,1,0,0,0,0|0,0,2]=4 590 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,1,0,0,0,0|0,0,0]=2 591 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,1,0,0,0,0|0,0,1]=3 593 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,1,0,0,0,0|0,0,0]=2 595 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [1,1,0,0,0,0|0,0,1]=3 596 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,1,0,0,1,0|2,0,0]=4 601 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.59 O=C(O)C1=C(C=C(N1)Br)Br CNP0432593.0 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.59 O=C(O)C1=C(NC(=C1)Br)Br CNP0018025.0 [0,1,0,0,1,0|2,0,0]=4 604 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.194 O=C(O)C1=C(C(=CN1)Br)Br CNP0430934.0 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.194 O=C(O)C1=CSC(=C1Cl)Cl CNP0440279.0 [0,1,0,0,1,0|2,0,0]=4 608 B12R1.75 CC(=O)NC1=CC=CC=C1C=O CNP0272351.0 [0,1,0,0,0,1|1,0,1]=4 609 B12R1.75 CC(=O)OC1=CC=CC=C1C=O CNP0308567.0 [0,1,0,0,0,1|1,0,1]=4 610 B12R1.75 CCC1=CC=CC=C1NC(=O)C CNP0050892.0 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,1,0,0,0,1|1,0,0]=3 614 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,1,0,0,0,1|1,0,0]=3 615 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.124 CC1=CC=CC=C1[C@@H](O)C(=O)O CNP0017568.1 [0,1,0,0,0,1|1,0,0]=3 617 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CNP0082491.0 [0,1,0,0,0,1|1,0,0]=3 618 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.2 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.1 [0,1,0,0,0,1|1,0,0]=3 620 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,1,0,0,0,1|1,0,0]=3 621 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)Cl CNP0051150.0 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,1,0,0,0,1|1,0,0]=3 626 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,1,0,0,0,1|0,0,0]=2 628 B12R1.127 O=C1C=CC(=O)C(=C1)CC(=O)O CNP0040825.0 [0,1,0,0,0,1|0,0,1]=3 629 B12R1.151 CC1=CC=CC=C1OS(=O)(=O)O CNP0230821.0 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.151 NC1=CC=CC=C1OS(=O)(=O)O CNP0561476.0 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.151 O=S(=O)(O)OC1=CC=CC=C1O CNP0280584.0 [0,1,0,0,0,1|1,0,0]=3 632 B12R1.224 CC(=O)NC1=CC=CC(=C1C)C CNP0173088.0 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Cl CNP0343401.0 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.224 CC(=O)NC1=CC=CC(=C1Cl)Cl CNP0054556.0 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.224 C[C@H](O)CC1=CC=CC(=C1O)O CNP0207246.1 [0,1,0,0,0,1|1,0,1]=4 636 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,1,0,0,0,1|1,0,0]=3 640 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,1,0,0,0,1|0,0,0]=2 644 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,0,1|0,0,0]=2 645 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,0,1|1,0,1]=4 646 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,1,0,0,0,1|0,0,0]=2 647 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)C CNP0022970.0 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.1009 CC(=O)OC1=C(C=CC=C1Br)Br CNP0233886.0 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.1009 CC(=O)OC1=C(C=CC=C1Cl)Cl CNP0302770.0 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.1009 O=C(O)CC1=C(C=CC=C1O)O CNP0135400.0 [0,1,0,0,0,1|0,0,0]=2 651 B12R1.1021 C=C(C)C1=CC=CC(=O)C(=C1)O CNP0310811.0 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.1021 CC(=O)C1=CC(=O)C(=CC=C1)O CNP0612012.0 [0,1,0,0,0,1|1,0,1]=4 653 B12R1.1021 CC(=O)C1=CC=CC(=O)C(=C1)O CNP0339263.0 [0,1,0,0,0,1|1,0,0]=3 654 B12R1.46 CNC1=CC=C(C=C1C(=O)O)O CNP0196868.0 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.46 COC1=CC=C(C=C1C(=O)O)O CNP0241896.0 [0,2,0,0,0,0|0,0,0]=2 656 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,2,0,0,0,0|0,0,0]=2 660 B12R1.57 COC1=CC(=CC=C1[N+](=O)[O-])N CNP0537552.0 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.76 COC1=CC=CC=C1C(C)(C)O CNP0497584.0 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.76 COC1=CC=CC=C1P(=O)(O)O CNP0463190.0 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [0,2,0,0,0,0|0,0,1]=3 666 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.77 NNC(=O)C1=CC=CC=C1CO CNP0075383.0 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.87 COC1=C(C=CC=C1C(=O)O)O CNP0226066.0 [0,2,0,0,0,0|0,0,0]=2 669 B12R1.87 N#[N+]C1C(=O)C=CC=C1C(=O)O CNP0511155.0 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O CNP0538877.0 [0,2,0,0,0,0|0,0,1]=3 671 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CNP0438693.0 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O CNP0033044.0 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.261 NC(=O)C1=CC=CN=C1C(=O)O CNP0160863.0 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.261 NC(=O)C1=NC=CC=C1C(=O)O CNP0226024.0 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O CNP0324589.0 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O CNP0106280.0 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.261 [18O]=C([18OH])C1=CC=CC=C1C(=[18O])[18OH] CNP0530779.0 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CNP0462154.0 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.283 CC=CC1=CC=CC=C1C(=O)O CNP0476960.0 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.283 CCNC1=CC=CC=C1C(=O)O CNP0071068.0 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.283 CCOC1=CC=CC=C1C(=O)O CNP0575551.0 [0,2,0,0,0,0|0,0,0]=2 682 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CNP0437340.0 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.283 O=CNC1=CC=CC=C1C(=O)O CNP0131461.0 [0,2,0,0,0,0|0,0,1]=3 684 B12R1.437 COC1=CC=CC(=C1C(=O)C)C CNP0111015.0 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.437 COC1=CC=CC(=C1C(=O)C)O CNP0394493.0 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.437 COC1=CC=CC(=C1C(=O)O)C CNP0198561.0 [0,2,0,0,0,0|0,0,0]=2 687 B12R1.437 COC1=CC=CC(=C1C(=O)O)O CNP0192684.0 [0,2,0,0,0,0|0,0,0]=2 688 B12R1.437 O=CC1=CC=CC(=C1C(=O)O)O CNP0397661.0 [0,2,0,0,0,0|0,0,0]=2 689 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.128 O=P(O)(O)C1=CC(=CC=C1O)Br CNP0473049.0 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1O)O CNP0449853.0 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.894 C=C(C)C1=C(C=CC(=C1C)O)O CNP0482771.0 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.894 CC1=C(C=CC(=C1C(=O)O)O)O CNP0439844.0 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.894 CC1=CC=C(C(=C1C(=O)O)O)Br CNP0437652.0 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.894 CC1=CC=C(C(=C1C)C(=O)O)C CNP0199373.0 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.894 NC1=CC=C(C(=C1N)C(=O)O)O CNP0308763.0 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O CNP0255105.0 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)Cl)C CNP0037744.0 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.1000 CC1=CC(=C(C(=N1)N)C(=O)O)C CNP0236536.0 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)O)O CNP0194999.0 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C CNP0133346.0 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O CNP0288966.0 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.3441 CC1=CC=CC(=C1[C@@H](O)CO)O CNP0239390.1 [0,2,0,0,0,0|0,0,2]=4 713 B12R1.3441 COC(=O)C1=C(C=CC=C1O)C CNP0214787.0 [0,2,0,0,0,0|0,0,0]=2 714 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O CNP0175842.0 [0,2,0,0,0,0|0,0,0]=2 715 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.440 COC1=CC=CC(=C1N)C(=O)O CNP0141530.0 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.440 COC1=CC=CC(=C1O)C(=O)O CNP0153479.0 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br CNP0224168.0 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.511 NC1=C(C=C(C=C1C(=O)O)O)O CNP0023505.0 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.511 O=C(O)C1=CC(=CC(=C1O)Br)Br CNP0017991.0 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.511 O=C(O)C1=CC(=CC(=C1O)I)I CNP0359648.0 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.511 O=C(O)C1=CC(=CC(=C1O)O)O CNP0538663.0 [0,2,0,0,0,0|0,0,0]=2 723 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.893 CC1=C(C=CC(=C1O)[N+](=O)[O-])O CNP0487415.0 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,2,0,0,0,0|0,0,0]=2 741 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|1,0,1]=4 750 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,2,0,0,0,0|0,0,0]=2 754 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl CNP0071041.0 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.354 CC(=NO)C1=CC(=CC=C1O)C CNP0288898.0 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.354 CC(=NO)C1=CC(=CC=C1O)Cl CNP0051443.0 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [0,2,0,0,0,0|1,0,1]=4 761 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.354 CN(N=O)C1=CC(=CC=C1O)O CNP0074187.0 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.453 N#CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0592268.0 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,2,0,0,0,0|0,0,0]=2 771 B12R1.453 O=CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0571042.0 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1O)CO CNP0520804.0 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|0,0,0]=2 776 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,0,1,1,0,0|1,0,0]=3 781 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,1,1,0,0|1,0,1]=4 782 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,1,1,0,0|1,0,0]=3 783 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,1,1,0,0|1,0,0]=3 784 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,1,1,0,0|0,0,0]=2 785 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [0,0,1,1,0,0|2,0,0]=4 786 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,0,1,1,0,0|2,0,0]=4 787 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [0,0,1,1,0,0|2,0,0]=4 788 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,1,1,0,0|1,0,1]=4 789 B10R1.77 CC1=CC=CC=CC(=O)O1 CNP0427584.0 [0,0,1,1,0,0|1,0,0]=3 790 B10R1.8 O=C1C=C(C=C(O1)CO)O CNP0275450.0 [0,0,1,1,0,0|1,0,1]=4 791 B10R1.8 O=CC1=CC(=CC(=C1)O)O CNP0573224.0 [0,0,1,1,0,0|2,0,0]=4 792 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,0,1,1,0,0|1,0,0]=3 793 B10R1.130 CC1=CC(=O)OC1=CC=O CNP0123742.0 [0,0,1,1,0,0|2,0,0]=4 794 B10R1.130 NC1=CC(=O)OC1=CC=O CNP0285411.0 [0,0,1,1,0,0|2,0,0]=4 795 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,0,1,1,0,0|0,0,2]=4 796 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,0,1,1,0,0|2,0,0]=4 797 B10R1.275 O=C1C(=CC=CC=C1O)O CNP0390803.0 [0,0,1,1,0,0|2,0,0]=4 798 B10R1.275 O=C1C=CC=CC(=C1O)O CNP0516954.0 [0,0,1,1,0,0|2,0,0]=4 799 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,0,1,1,0,0|1,0,1]=4 800 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,1]=4 801 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,1]=4 802 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 803 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,1]=4 804 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,1]=4 805 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|2,0,0]=4 806 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|2,0,0]=4 807 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|2,0,0]=4 808 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,0]=3 809 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|1,0,0]=3 810 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|1,1,0]=4 811 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,1]=4 812 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|2,0,0]=4 813 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 814 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|1,0,0]=3 815 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|2,0,0]=4 816 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,1]=4 817 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|2,0,0]=4 818 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|1,1,0]=4 819 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|1,1,0]=4 820 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,1|2,0,0]=4 821 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,1|2,0,0]=4 823 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,1|1,0,0]=3 824 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|2,0,0]=4 825 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|2,0,0]=4 826 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|2,0,0]=4 827 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,1|1,0,0]=3 828 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,1|1,0,0]=3 829 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,1|2,0,0]=4 830 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,1,0,1|2,0,0]=4 831 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,1,0,1|2,0,0]=4 832 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,1,0,1|2,0,0]=4 833 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,0,0,1,0,1|2,0,0]=4 834 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,0,0,1,0,1|0,0,0]=2 835 B12R2.202 O=C1NC2=C(C=CC=C2O1)O CNP0492903.0 [0,0,0,1,0,1|0,0,0]=2 836 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,1|1,0,0]=3 837 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,1|1,0,0]=3 838 B12R2.586 OC1=CC=C2C1=CC=CC=C2 CNP0566607.0 [0,0,0,1,0,1|2,0,0]=4 839 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,1,0,1,0,0|1,0,0]=3 841 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|1,0,0]=3 845 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|1,0,0]=3 850 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|1,0,0]=3 851 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,1,0,1,0,0|2,0,0]=4 852 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|0,0,0]=2 853 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.1081 OC1=NC=NC2=CC=CC=C12 CNP0201692.0 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|1,0,1]=4 858 B12R2.1806 COC1=CC=CC2=C1C(=O)C2 CNP0108126.0 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.1806 N#CC1=CC=CC2=C1C(=O)C2 CNP0032434.0 [0,1,0,1,0,0|2,0,0]=4 860 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,1,0,0|0,0,1]=3 867 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,1,0,1,0,0|1,0,1]=4 868 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|0,0,0]=2 869 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|1,0,0]=3 870 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|1,0,0]=3 871 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,1,0,0|0,1,1]=4 872 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|1,0,0]=3 873 B12R2.203 CC1=CNC2=CC=CC(=C12)O CNP0370615.0 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|1,0,0]=3 875 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|0,0,0]=2 876 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|1,0,0]=3 878 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|2,0,0]=4 879 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,0]=3 880 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|2,0,0]=4 881 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,0]=3 882 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|1,0,0]=3 883 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,1,0,1,0,0|1,0,0]=3 884 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.1225 O=C1OC2=C(C=CC(=C12)O)O CNP0076738.0 [0,1,0,1,0,0|0,0,0]=2 889 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,1,0,1,0,0|1,0,0]=3 896 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,1,0,0|1,0,0]=3 902 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,1,0,0|1,0,1]=4 903 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,1,0,1,0,0|1,0,1]=4 904 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,1,0,0|1,0,1]=4 905 B12R2.1094 CC1=CC=CC2=C1C(=O)C2=O CNP0039191.0 [0,1,0,1,0,0|1,0,1]=4 906 B12R2.1541 COC(=O)C12C=CC=CC1O2 CNP0242156.0 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|2,0,0]=4 908 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|2,0,0]=4 909 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|2,0,0]=4 910 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|2,0,0]=4 911 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|2,0,0]=4 912 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|2,0,0]=4 913 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|2,0,0]=4 914 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 915 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 916 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|1,0,0]=3 917 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|1,0,0]=3 918 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,0,0,0,1,0|2,0,0]=4 919 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|1,0,0]=3 920 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,0,0,0,1,0|2,0,0]=4 921 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|1,0,0]=3 922 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|2,0,0]=4 923 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|1,0,0]=3 924 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,0,0,0,1,0|2,0,0]=4 925 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,0,0,0,1,0|2,0,0]=4 926 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,0,0,0,1,0|2,0,0]=4 927 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,0,0,0,1,0|2,0,0]=4 928 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,0,0,0,0,2|1,0,0]=3 929 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,0,0,0,0,2|1,0,0]=3 930 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,0,0,0,0,2|2,0,0]=4 931 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,0,0,0,0,2|2,0,0]=4 932 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,0,0,0,0,2|1,0,0]=3 933 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,0,0,0,0,2|2,0,0]=4 934 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,0,0,0,0,2|1,0,0]=3 935 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,0,0,0,0,2|1,0,0]=3 936 B12R1.125 O=C(O)/C=C/C1=CC=CC[C@@H]1O CNP0190830.1 [0,0,0,0,0,2|0,0,2]=4 937 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,0,0,0,0,2|1,0,0]=3 938 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,0,0,0,0,2|0,0,0]=2 939 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,0,0,0,0,2|0,0,0]=2 940 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,0,0,0,0,2|1,0,0]=3 941 B12R1.210 CC(=O)OC1=CC=CC=CC1=O CNP0251937.0 [0,0,0,0,0,2|1,0,1]=4