0 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,0,0,0|0,1,0]=1 7 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,0,0,0,0,0|1,1,0]=2 10 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,0,0,0|1,1,0]=2 17 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.5 ClC1C=CC=CC1Cl CNP0452239.0 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,0,0,0,0|1,1,0]=2 24 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,0,0,0,0|1,1,0]=2 28 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,0,0,0,0,0|1,1,1]=3 29 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,0,0,0,0,0|2,1,0]=3 30 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,0,0,0,0,0|2,1,0]=3 31 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,0,0,0,0|2,1,0]=3 32 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,0,0,0,0|2,1,0]=3 33 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,0,0,0,0|1,1,0]=2 34 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,0,0,0,0|1,1,0]=2 35 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,0,0,0,0|1,1,0]=2 36 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,0,0,0,0|2,1,0]=3 37 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,0,0,0,0|2,1,0]=3 38 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,0,0,0,0,0|2,1,0]=3 39 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [0,0,0,0,0,0|2,0,1]=3 40 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,0,0,0,0|1,1,0]=2 41 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,0,0,0,0,0|1,1,2]=4 42 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,0,0,0,0,0|1,1,2]=4 43 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,0,0,0,0,0|1,1,2]=4 44 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,0,0,0|1,0,0]=1 45 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [0,0,0,0,0,0|2,0,1]=3 46 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|0,0,2]=3 50 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|0,0,0]=1 51 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|1,0,0]=2 52 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|0,0,2]=3 53 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|1,0,0]=2 54 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|1,0,0]=2 55 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|0,0,2]=3 57 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|0,1,1]=3 74 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|1,1,0]=3 75 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|1,1,0]=3 76 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,0,0,0|1,1,0]=3 78 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,0,0,0|1,1,0]=3 79 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|0,1,0]=2 81 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|1,1,0]=3 82 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|1,1,0]=3 83 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [1,0,0,0,0,0|1,1,0]=3 84 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|0,0,0]=1 85 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,0,0,0|1,1,0]=3 88 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,0|1,1,0]=3 89 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,0|1,1,0]=3 90 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,0|1,1,0]=3 91 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,1,0,0,0,0|0,1,0]=2 92 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,1,0,0,0,0|0,1,0]=2 95 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,1,0,0,0,0|1,1,0]=3 96 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,1,0,0,0,0|1,1,0]=3 97 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,0|0,1,0]=2 100 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,0|0,1,0]=2 103 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,0|0,1,0]=2 104 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,0|0,0,0]=1 105 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,0|0,1,0]=2 106 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.3 CN1C(=CC=NC1=O)N CNP0001922.0 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,1,0,0,0,0|2,1,0]=4 110 B9R1.3 CN1C(=O)C=CNC1=O CNP0086090.0 [0,1,0,0,0,0|2,1,0]=4 111 B9R1.3 CN1C(=O)C=CNC1=S CNP0267461.0 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,0,0,0|1,1,1]=4 113 B9R1.3 C[N+]1=C(C=CNC1=O)N CNP0512299.0 [0,1,0,0,0,0|2,1,0]=4 114 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [0,1,0,0,0,0|2,1,0]=4 117 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,1,0,0,0,0|1,1,0]=3 118 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,1,0,0,0,0|1,1,0]=3 119 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,1,0,0,0,0|1,1,0]=3 120 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,1,0,0,0,0|1,1,0]=3 121 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,1,0,0,0,0|1,1,0]=3 122 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,1,0,0,0,0|1,1,0]=3 123 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,1,0,0,0,0|0,1,1]=3 125 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,0|0,1,0]=2 128 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,0|0,1,0]=2 130 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,0|0,1,0]=2 131 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,0|1,1,0]=3 132 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,0|1,1,0]=3 133 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,0|0,1,0]=2 137 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,0|0,0,0]=1 138 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,0|1,1,0]=3 140 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,0|0,1,0]=2 143 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,0|0,1,0]=2 145 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,0|0,1,1]=3 146 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,0|1,1,0]=3 147 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,0|1,1,0]=3 148 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,0|1,1,0]=3 149 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,0|1,1,0]=3 150 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,0|0,1,0]=2 152 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,0|0,1,0]=2 156 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,1,0,0,0,0|1,0,1]=3 158 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,1,0,0,0,0|0,1,1]=3 159 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,0|1,1,0]=3 160 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,0|0,1,0]=2 161 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,0|1,0,0]=2 163 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,0,0,0|1,0,0]=2 172 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,0,0,0|0,1,0]=2 175 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,0,0,0|2,1,0]=4 176 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,0|0,1,0]=2 177 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,1,0,0,0,0|0,1,2]=4 178 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,0|0,1,0]=2 185 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,0,0,0|1,1,0]=3 189 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,0,0,0|1,1,0]=3 194 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,0|0,1,0]=2 196 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,0,0,0|1,1,0]=3 197 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,0|1,1,0]=3 199 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,0,0,0|0,1,0]=2 208 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,0,0,0|2,1,0]=4 212 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,1,0,0,0,0|2,1,0]=4 213 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,1,0,0,0,0|2,1,0]=4 214 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,1,0,0,0,0|1,1,0]=3 215 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 CC1=CNC(=O)NC1=O CNP0143365.0 [0,1,0,0,0,0|2,1,0]=4 217 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,1,0,0,0,0|2,1,0]=4 218 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] CNP0596721.0 [0,1,0,0,0,0|2,1,0]=4 219 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.69 CN1C=CC(=NC1=O)N CNP0579381.0 [0,1,0,0,0,0|2,1,0]=4 221 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [0,1,0,0,0,0|2,1,0]=4 222 B9R1.69 CN1C=CC(=O)NC1=O CNP0199194.0 [0,1,0,0,0,0|2,1,0]=4 223 B9R1.69 CN1C=CC(=O)NC1=S CNP0157783.0 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,0,0,0|0,1,2]=4 225 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,1,0,0,0,0|1,1,0]=3 228 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,1,0,0,0,0|1,1,0]=3 230 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [0,1,0,0,0,0|1,0,0]=2 231 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [0,1,0,0,0,0|1,1,0]=3 233 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.69 NC1=NC=C(C=C1Br)Br CNP0105917.0 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,1,0,0,0,0|2,1,0]=4 237 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,1,0,0,0,0|1,1,0]=3 238 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,1,0,0,0,0|1,1,0]=3 239 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,1,0,0,0,0|1,1,0]=3 240 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,1,0,0,0,0|1,1,0]=3 242 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,1,0,0,0,0|1,1,0]=3 243 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [0,1,0,0,0,0|1,1,0]=3 244 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [0,1,0,0,0,0|1,1,0]=3 245 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|1,0,1]=3 246 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,1,0,0,0|1,0,1]=3 247 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|1,0,0]=2 248 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,1,0,0,0|1,0,2]=4 249 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,0,1,0,0,0|0,1,2]=4 250 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,0,1,0,0,0|1,0,2]=4 251 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,0,1,0,0,0|3,0,0]=4 252 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|0,1,1]=3 253 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,0,1,0,0,0|1,0,2]=4 254 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,1,0,0,0|0,1,2]=4 255 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,1,0,0,0|0,1,2]=4 256 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,0,1,0,0,0|1,1,0]=3 257 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,0,1,0,0,0|1,1,1]=4 258 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,0,1,0,0,0|1,0,1]=3 259 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,0,1,0,0,0|1,0,1]=3 260 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,0,1,0,0,0|1,1,1]=4 261 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,0,1,0,0,0|1,0,2]=4 262 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,0,1,0,0,0|2,1,0]=4 263 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,1,0,0,0|1,1,1]=4 264 B7R0.10 C=CC(S)C(S)C=C CNP0085880.0 [0,0,1,0,0,0|1,0,2]=4 265 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,0,1,0,0,0|1,0,2]=4 266 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,0|1,0,0]=2 267 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,0|1,0,2]=4 268 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,1,0|3,0,0]=4 269 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,1,0|1,0,0]=2 270 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,1,0|1,0,0]=2 271 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,1,0|1,0,2]=4 272 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,1,0|1,0,2]=4 273 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,1,0|2,0,0]=3 274 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,1,0|3,0,0]=4 275 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,1,0|2,0,0]=3 276 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,1,0|3,0,0]=4 277 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,1,0|0,1,2]=4 278 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,1,0|1,1,1]=4 279 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,1,0|3,0,0]=4 280 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,1,0|2,0,0]=3 281 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,1,0|3,0,0]=4 282 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,1,0|3,0,0]=4 283 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,1,0|2,0,0]=3 284 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,1,0|2,0,1]=4 285 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,0,0,0,1,0|3,0,0]=4 286 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,1,0|1,1,1]=4 287 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,1,0|1,1,1]=4 288 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,1,0|2,1,0]=4 289 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,0,0,0,1|1,1,0]=3 290 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,1|1,0,0]=2 291 B6R0.6 C=CC#CC=CC CNP0360102.0 [1,0,1,0,0,0|0,0,2]=4 292 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|0,0,0]=2 293 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|0,0,2]=4 294 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,1,0,0,0|0,0,2]=4 295 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|0,1,0]=3 296 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|0,0,2]=4 297 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|0,1,1]=4 298 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|1,0,1]=4 299 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|1,0,1]=4 300 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|0,0,0]=2 301 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,0,1,0,0,0|0,1,1]=4 302 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|0,0,2]=4 303 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|1,1,0]=4 304 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|0,0,2]=4 305 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|0,0,0]=2 306 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|1,0,0]=3 307 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|0,1,0]=3 308 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|0,0,2]=4 309 B6R1.1 C1=CCCC=C1 CNP0267898.0 [2,0,0,0,0,0|0,0,2]=4 310 B6R1.1 C1=CCNC=C1 CNP0081217.0 [2,0,0,0,0,0|1,0,1]=4 311 B6R1.1 C1=CCOC=C1 CNP0513975.0 [2,0,0,0,0,0|1,0,1]=4 312 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [2,0,0,0,0,0|1,0,1]=4 313 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|2,0,0]=4 314 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|2,0,0]=4 315 B6R1.1 C1=CSSC=C1 CNP0509445.0 [2,0,0,0,0,0|2,0,0]=4 316 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|0,0,1]=3 317 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,1,1,0,0,0|0,1,1]=4 318 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,1,1,0,0,0|0,1,1]=4 319 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,1,0,0,0|0,1,1]=4 320 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,1,0,0,0|2,0,0]=4 321 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|1,0,0]=3 322 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,1,0,0,0|0,1,1]=4 323 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|0,1,1]=4 324 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|0,1,1]=4 325 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,1,0,0,0|0,1,1]=4 326 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,1,1,0,0,0|1,1,0]=4 327 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,1,1,0,0,0|1,1,0]=4 328 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|0,1,1]=4 329 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,1,0,0,0,0|0,0,1]=3 331 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,1,0,0,0,0|0,0,1]=3 332 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,1,0,0,0,0|1,0,1]=4 333 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,1,0,0,0,0|0,0,0]=2 335 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,1,0,0,0,0|1,0,0]=3 336 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,1,0,0,0,0|0,0,0]=2 340 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,1,0,0,0,0|0,0,0]=2 341 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,1,0,0,0,0|0,0,1]=3 344 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,1,0,0,0,0|0,0,0]=2 346 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,1,0,0,0,0|0,0,0]=2 348 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,1,0,0,0,0|0,0,1]=3 349 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,1,0,0,0,0|1,0,1]=4 352 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,1,0,0,0,0|0,0,0]=2 353 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,1,0,0,0,0|0,1,0]=3 356 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,1,0,0,0,0|0,0,1]=3 357 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,1,0,0,0,0|1,0,1]=4 359 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,1,0,0,0,0|0,1,0]=3 360 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,1,0,0,0,0|1,1,0]=4 361 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,1,0,0,0,0|0,0,0]=2 362 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,1,0,0,0,0|0,0,2]=4 363 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,1,0,0,0,0|0,0,1]=3 366 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,1,0,0,0,0|0,0,0]=2 367 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,1,0,0,0,0|0,0,0]=2 371 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,1,0,0,0,0|0,0,0]=2 372 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,1,0,0,0,0|0,0,1]=3 374 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|0,0,0]=2 375 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|0,0,0]=2 376 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|0,0,0]=2 377 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|0,0,0]=2 378 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|0,0,0]=2 379 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|0,0,0]=2 380 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|1,0,0]=3 383 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,1,0,0,0,0|1,0,0]=3 391 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,1,0,0,0,0|0,1,0]=3 394 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,1,0,0,0,0|1,1,0]=4 398 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,1,0,0,0,0|0,1,0]=3 399 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,1,0,0,0,0|0,1,0]=3 400 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,1,0,0,0,0|0,1,0]=3 401 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,1,0,0,0,0|0,1,0]=3 402 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,1,0,0,0,0|0,1,0]=3 403 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,1,0,0,0,0|0,0,0]=2 404 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|1,1,0]=4 405 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,1,0,0,0,0|0,0,0]=2 410 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,1,0,0,0,0|0,0,0]=2 411 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,1,0,0,0,0|0,0,0]=2 412 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,1,0,0,0,0|0,0,0]=2 413 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,1,0,0,0,0|0,0,0]=2 414 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,1,0,0,0,0|0,0,2]=4 424 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,1,0,0,0,0|0,1,0]=3 432 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,1,0,0,0,0|0,1,0]=3 433 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,1,0,0,0,0|0,1,0]=3 434 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,1,0,0,0,0|0,1,0]=3 437 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,1,0|1,1,0]=4 438 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,1,0|1,1,0]=4 439 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,1,0|1,0,0]=3 440 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,1,0|2,0,0]=4 441 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,1,0|2,0,0]=4 442 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,1,0|2,0,0]=4 443 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,1,0|1,0,0]=3 444 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,1,0|1,1,0]=4 445 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,1,0|1,1,0]=4 446 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,1,0|1,0,1]=4 447 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,1,0|1,0,1]=4 448 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,0,1,0|1,1,0]=4 449 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,1,0,0,0,1|0,1,0]=3 450 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,1,0,0,0,1|0,1,0]=3 451 B10R1.275 O=C1C(=CC=CC=C1O)O CNP0390803.0 [0,1,0,0,0,1|1,1,0]=4 452 B10R1.275 O=C1C=CC=CC(=C1O)O CNP0516954.0 [0,1,0,0,0,1|1,1,0]=4 453 B10R1.332 CC1=C(C=CC(=O)C=C1)Cl CNP0070609.0 [0,1,0,0,0,1|1,0,0]=3 454 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,2,0,0,0,0|0,1,1]=4 455 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,2,0,0,0,0|1,0,0]=3 456 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,2,0,0,0,0|0,1,0]=3 457 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,2,0,0,0,0|1,1,0]=4 458 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,2,0,0,0,0|0,1,0]=3 460 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,2,0,0,0,0|0,1,0]=3 461 B10R1.2 CN1C=CC=C(C1=O)C#N CNP0276733.0 [0,2,0,0,0,0|1,1,0]=4 462 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,2,0,0,0,0|0,1,0]=3 463 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,2,0,0,0,0|0,1,0]=3 465 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,2,0,0,0,0|0,1,0]=3 466 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,2,0,0,0,0|0,1,0]=3 467 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [0,2,0,0,0,0|1,1,0]=4 468 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,2,0,0,0,0|1,1,0]=4 469 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,2,0,0,0,0|0,1,1]=4 470 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,2,0,0,0,0|0,1,0]=3 471 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,2,0,0,0,0|0,1,0]=3 472 B10R1.22 CC1=C(C=C(C=C1Cl)S)Cl CNP0108382.0 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [0,2,0,0,0,0|0,1,0]=3 474 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,2,0,0,0,0|1,1,0]=4 478 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,2,0,0,0,0|0,1,0]=3 481 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,2,0,0,0,0|0,1,0]=3 485 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [0,2,0,0,0,0|0,1,0]=3 486 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [0,2,0,0,0,0|1,1,0]=4 487 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,2,0,0,0,0|0,1,0]=3 488 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,2,0,0,0,0|1,1,0]=4 489 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,2,0,0,0,0|1,1,0]=4 491 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,2,0,0,0,0|0,1,0]=3 494 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,2,0,0,0,0|0,1,0]=3 498 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,2,0,0,0,0|0,1,0]=3 499 B10R1.22 CC1=CC(=CC(=[N+]1[O-])C)Cl CNP0584434.0 [0,2,0,0,0,0|1,1,0]=4 500 B10R1.22 CC1=CC(=NC(=C1N)Cl)Cl CNP0023634.0 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,2,0,0,0,0|0,1,0]=3 502 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,2,0,0,0,0|0,1,0]=3 503 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [0,2,0,0,0,0|1,1,0]=4 504 B10R1.22 CN1C=C(C=C(C1=O)Br)Br CNP0224301.0 [0,2,0,0,0,0|1,1,0]=4 505 B10R1.22 NC1=C(C=C(C=C1Br)Br)Br CNP0057961.0 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.22 NC1=C(C=C(C=C1Cl)Cl)Cl CNP0036320.0 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [0,2,0,0,0,0|1,1,0]=4 508 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [0,2,0,0,0,0|1,1,0]=4 509 B10R1.22 O=C1C=C(C(=O)C(=C1)Br)Br CNP0157909.0 [0,2,0,0,0,0|1,1,0]=4 510 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [0,2,0,0,0,0|1,1,0]=4 511 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [0,2,0,0,0,0|1,1,0]=4 512 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [0,2,0,0,0,0|1,1,0]=4 513 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [0,2,0,0,0,0|1,1,0]=4 514 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [0,2,0,0,0,0|1,1,0]=4 515 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [0,2,0,0,0,0|1,1,0]=4 516 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [0,2,0,0,0,0|1,1,0]=4 517 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [0,2,0,0,0,0|1,1,0]=4 518 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [0,2,0,0,0,0|1,1,0]=4 519 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [0,2,0,0,0,0|1,1,0]=4 520 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [0,2,0,0,0,0|1,1,0]=4 521 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [0,2,0,0,0,0|1,1,0]=4 522 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [0,2,0,0,0,0|1,1,0]=4 523 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [0,2,0,0,0,0|1,1,0]=4 524 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [0,2,0,0,0,0|1,1,0]=4 525 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [0,2,0,0,0,0|1,1,0]=4 526 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,2,0,0,0,0|1,1,0]=4 527 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,2,0,0,0,0|1,1,0]=4 528 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,2,0,0,0,0|0,1,0]=3 529 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,2,0,0,0,0|0,1,0]=3 530 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,2,0,0,0,0|1,1,0]=4 531 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,2,0,0,0,0|0,1,0]=3 532 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,2,0,0,0,0|0,1,0]=3 533 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,2,0,0,0,0|0,1,0]=3 534 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,2,0,0,0,0|0,1,0]=3 536 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,2,0,0,0,0|0,1,0]=3 537 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,2,0,0,0,0|0,0,0]=2 538 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,2,0,0,0,0|0,1,0]=3 539 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,2,0,0,0,0|0,1,0]=3 540 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)Cl CNP0445745.0 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.119 NC1=CC=C(C(=C1Br)N)Br CNP0090854.0 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,2,0,0,0,0|1,1,0]=4 544 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,2,0,0,0,0|1,1,0]=4 545 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [0,2,0,0,0,0|1,1,0]=4 546 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,2,0,0,0,0|1,1,0]=4 547 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,2,0,0,0,0|1,1,0]=4 548 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,2,0,0,0,0|0,1,0]=3 550 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,2,0,0,0,0|0,1,0]=3 551 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,2,0,0,0,0|0,1,0]=3 552 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,2,0,0,0,0|0,1,0]=3 556 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,2,0,0,0,0|0,1,0]=3 558 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,2,0,0,0,0|1,1,0]=4 559 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,2,0,0,0,0|1,1,0]=4 560 B10R1.245 N#CC1=C(C=CC=C1Cl)Cl CNP0161827.0 [0,2,0,0,0,0|1,0,1]=4 561 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [0,2,0,0,0,0|0,1,1]=4 562 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,2,0,0,0,0|0,1,0]=3 564 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,2,0,0,0,0|0,1,0]=3 565 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,2,0,0,0,0|0,1,0]=3 567 B10R1.4 CC1=CC=NC=C1C=NO CNP0030608.0 [0,2,0,0,0,0|1,1,0]=4 568 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,2,0,0,0,0|0,1,0]=3 571 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,2,0,0,0,0|0,1,0]=3 572 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [0,2,0,0,0,0|1,1,0]=4 573 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,2,0,0,0,0|1,1,0]=4 575 B10R1.4 C[N+]1=CC=CC=C1C=NO CNP0581381.0 [0,2,0,0,0,0|1,1,0]=4 576 B10R1.4 C[N+]1=CC=CC=C1C=N[O-] CNP0545972.0 [0,2,0,0,0,0|1,1,0]=4 577 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,2,0,0,0,0|0,1,0]=3 578 B10R1.4 N#CC[N+]1=CC=CC=C1Br CNP0534465.0 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,2,0,0,0,0|1,0,1]=4 580 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,2,0,0,0,0|0,1,0]=3 581 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,2,0,0,0,0|0,1,1]=4 582 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,2,0,0,0,0|0,1,1]=4 583 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,2,0,0,0,0|0,1,0]=3 584 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,2,0,0,0,0|1,0,1]=4 585 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,2,0,0,0,0|0,1,1]=4 586 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,2,0,0,0,0|1,1,0]=4 587 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,2,0,0,0,0|0,1,0]=3 589 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,2,0,0,0,0|0,1,0]=3 591 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,2,0,0,0,0|0,1,0]=3 592 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [0,2,0,0,0,0|0,1,0]=3 593 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,2,0,0,0,0|0,1,0]=3 594 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,2,0,0,0,0|0,1,0]=3 595 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,2,0,0,0,0|0,1,0]=3 596 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,2,0,0,0,0|0,1,0]=3 597 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,2,0,0,0,0|0,1,0]=3 598 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,2,0,0,0,0|0,1,0]=3 599 B10R1.20 COC1=CC=NC=C1C#N CNP0112876.0 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.20 N#CC1=CC=CC=C1CBr CNP0046063.0 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [0,2,0,0,0,0|0,1,1]=4 602 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [0,2,0,0,0,0|0,0,0]=2 603 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,2,0,0,0,0|0,1,1]=4 605 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,2,0,0,0,0|0,1,0]=3 607 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,2,0,0,0,0|0,1,0]=3 608 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,2,0,0,0,0|0,1,0]=3 610 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,2,0,0,0,0|0,1,0]=3 612 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,2,0,0,0,0|1,0,1]=4 613 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,2,0,0,0,0|0,1,1]=4 614 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,2,0,0,0,0|0,1,0]=3 616 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,2,0,0,0,0|0,1,0]=3 617 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,2,0,0,0,0|0,1,0]=3 619 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,2,0,0,0,0|0,1,0]=3 620 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,2,0,0,0,0|1,0,0]=3 621 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,2,0,0,0,0|1,0,0]=3 622 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,2,0,0,0,0|0,1,0]=3 624 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,2,0,0,0,0|0,1,0]=3 625 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [0,2,0,0,0,0|1,1,0]=4 626 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,2,0,0,0,0|0,1,1]=4 627 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,2,0,0,0,0|0,1,1]=4 628 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,2,0,0,0,0|0,1,0]=3 633 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,2,0,0,0,0|0,1,0]=3 634 B10R1.30 CC1=CC=[N+](C=C1C#N)[O-] CNP0495146.0 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.30 CC1=CC=[N+](C=C1CO)[O-] CNP0579255.0 [0,2,0,0,0,0|1,1,0]=4 636 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,2,0,0,0,0|0,1,0]=3 639 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,2,0,0,0,0|0,1,0]=3 640 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,2,0,0,0,0|0,1,0]=3 641 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,2,0,0,0,0|1,1,0]=4 642 B10R1.30 CCN1C=C(C=CC1=O)Br CNP0062545.0 [0,2,0,0,0,0|1,1,0]=4 643 B10R1.30 CN1C=CC(=O)C=C1C#N CNP0198738.0 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,2,0,0,0,0|0,1,0]=3 645 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,2,0,0,0,0|0,1,0]=3 647 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,2,0,0,0,0|0,1,0]=3 648 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,2,0,0,0,0|0,1,0]=3 649 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,2,0,0,0,0|0,1,0]=3 650 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,2,0,0,0,0|0,1,1]=4 652 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [0,2,0,0,0,0|1,1,0]=4 653 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,2,0,0,0,0|0,1,0]=3 654 B10R1.30 O=C1OC=C(C=C1CO)O CNP0541420.0 [0,2,0,0,0,0|1,1,0]=4 655 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,2,0,0,0,0|0,1,1]=4 656 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,2,0,0,0,0|0,1,0]=3 658 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,2,0,0,0,0|1,0,0]=3 659 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,2,0,0,0,0|0,1,0]=3 660 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,2,0,0,0,0|0,1,0]=3 662 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,2,0,0,0,0|1,1,0]=4 663 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,2,0,0,0,0|1,1,0]=4 664 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,2,0,0,0,0|1,1,0]=4 665 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,2,0,0,0,0|0,1,0]=3 666 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,2,0,0,0,0|0,0,0]=2 667 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,2,0,0,0,0|0,1,0]=3 668 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,2,0,0,0,0|0,1,0]=3 669 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,2,0,0,0,0|1,1,0]=4 671 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,2,0,0,0,0|1,1,0]=4 672 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,2,0,0,0,0|0,1,0]=3 674 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,2,0,0,0,0|1,1,0]=4 675 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,2,0,0,0,0|0,1,1]=4 678 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,2,0,0,0,0|1,1,0]=4 680 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,2,0,0,0,0|1,0,1]=4 681 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,2,0,0,0,0|0,1,1]=4 682 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,2,0,0,0,0|0,0,1]=3 683 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,2,0,0,0,0|0,1,1]=4 684 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,2,0,0,0,0|0,1,1]=4 685 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,2,0,0,0,0|0,1,1]=4 686 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,2,0,0,0,0|0,1,1]=4 687 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,2,0,0,0,0|0,1,1]=4 688 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,2,0,0,0,0|0,0,2]=4 689 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,2,0,0,0,0|1,1,0]=4 690 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,2,0,0,0,0|1,1,0]=4 691 B10R1.118 BrC1=C(C=C(C(=C1)Br)Br)Br CNP0049506.0 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,2,0,0,0,0|1,0,0]=3 693 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [0,2,0,0,0,0|1,0,0]=3 694 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,2,0,0,0,0|0,1,0]=3 696 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,2,0,0,0,0|0,1,0]=3 698 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [0,2,0,0,0,0|0,1,0]=3 700 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [0,2,0,0,0,0|0,1,0]=3 701 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [0,2,0,0,0,0|1,1,0]=4 702 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [0,2,0,0,0,0|1,1,0]=4 703 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [0,2,0,0,0,0|1,1,0]=4 704 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [0,2,0,0,0,0|1,1,0]=4 705 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,2,0,0,0,0|1,1,0]=4 707 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,2,0,0,0,0|0,1,0]=3 709 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,2,0,0,0,0|0,1,0]=3 710 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,2,0,0,0,0|0,1,0]=3 714 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,2,0,0,0,0|0,1,0]=3 715 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,2,0,0,0,0|1,1,0]=4 716 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.176 CN1C=C(C=CC1=O)C#N CNP0276736.0 [0,2,0,0,0,0|1,1,0]=4 718 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,2,0,0,0,0|0,1,0]=3 721 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,2,0,0,0,0|1,1,0]=4 723 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,2,0,0,0,0|1,1,0]=4 724 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,2,0,0,0,0|1,1,0]=4 725 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,2,0,0,0,0|1,1,0]=4 726 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,2,0,0,0,0|1,1,0]=4 727 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,2,0,0,0,0|1,1,0]=4 728 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,2,0,0,0,0|1,1,0]=4 730 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,2,0,0,0,0|1,1,0]=4 731 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,2,0,0,0,0|1,1,0]=4 732 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,1,1,0,0|0,1,0]=3 733 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,1,1,0,0|0,0,2]=4 734 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,0,1,1,0,0|2,0,0]=4 735 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,0,1,1,0,0|2,0,0]=4 736 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,1,1,0,0|0,1,1]=4 737 B8R1.49 C1=CC=CC=CC=C1 CNP0580614.0 [0,0,1,1,0,0|1,0,1]=4 738 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,0,1,1,0,0|1,0,1]=4 739 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,0,1,1,0,0|1,0,1]=4 740 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,1,1,0,0|1,1,0]=4 741 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,1,1,0,0|0,0,2]=4 742 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,0,1,1,0,0|1,0,1]=4 743 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,1,1,0,0|1,0,1]=4 744 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,1,1,0,0|2,0,0]=4 745 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,1,1,0,0|1,1,0]=4 746 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,1,1,0,0|1,0,0]=3 747 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,1,1,0,0|2,0,0]=4 748 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|0,0,0]=2 749 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [0,1,0,1,0,0|1,1,0]=4 750 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,1,0,1,0,0|2,0,0]=4 751 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [0,1,0,1,0,0|1,0,1]=4 752 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,1,0,1,0,0|1,0,0]=3 753 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [0,1,0,1,0,0|1,0,1]=4 754 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [0,1,0,1,0,0|0,1,1]=4 755 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [0,1,0,1,0,0|0,1,1]=4 756 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [0,1,0,1,0,0|0,0,1]=3 757 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,1,0,1,0,0|2,0,0]=4 758 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,1,0,1,0,0|1,0,0]=3 759 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,1,0,1,0,0|0,1,0]=3 760 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [0,1,0,1,0,0|1,0,1]=4 761 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [0,1,0,1,0,0|1,0,1]=4 762 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,1,0,1,0,0|1,0,0]=3 763 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [0,1,0,1,0,0|1,0,1]=4 764 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,1,0,1,0,0|0,1,1]=4 765 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [0,1,0,1,0,0|0,1,1]=4 766 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,1,0,1,0,0|0,1,0]=3 767 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,1,0,1,0,0|0,1,0]=3 768 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [0,1,0,1,0,0|0,0,1]=3 769 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [0,1,0,1,0,0|0,0,1]=3 770 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,1,0,1,0,0|0,0,0]=2 771 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [0,1,0,1,0,0|0,0,1]=3 772 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,1,0,1,0,0|2,0,0]=4 773 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,1,0,1,0,0|1,0,0]=3 774 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,1,0,1,0,0|1,0,0]=3 775 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,1,0,1,0,0|1,0,0]=3 776 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,1,0,1,0,0|1,0,0]=3 777 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,1,0,1,0,0|1,0,0]=3 778 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,1,0,1,0,0|1,0,0]=3 779 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,1,0,1,0,0|1,0,0]=3 780 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,1,0,1,0,0|0,1,0]=3 781 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,1,0,1,0,0|0,1,0]=3 782 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,1,0,1,0,0|0,1,0]=3 783 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|1,0,1]=4 784 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|1,0,0]=3 785 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,0]=3 786 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,0]=3 787 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,1,0|2,0,0]=4 788 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,1,0|2,0,0]=4 789 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|1,0,0]=3 790 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,1,0|2,0,0]=4 791 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,1,0|2,0,0]=4 792 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,0]=3 793 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,0]=3 794 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,1,0|2,0,0]=4 795 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,1,0|2,0,0]=4 796 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|1,0,0]=3 797 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,1,0|2,0,0]=4 798 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,1,0|2,0,0]=4 799 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|1,1,0]=4 800 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|1,0,0]=3 801 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|1,0,0]=3 802 B10R1.77 CC1=CC=CC=CC(=O)O1 CNP0427584.0 [0,0,0,0,0,2|0,1,0]=3