0 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|0,0,0]=1 49 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|0,0,1]=2 52 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|0,1,0]=2 54 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,0,0,0,0,0|0,0,2]=3 80 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,0,0,0,0,0|0,0,0]=1 82 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,0,0,0,0,0|0,0,0]=1 85 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,0,0,0,0,0|0,1,0]=2 86 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,0,0,0,0,0|1,0,1]=3 105 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,0,0,0,0,0|1,0,0]=2 109 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [0,1,0,0,0,0|0,1,1]=3 116 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,1,0,0,0,0|0,0,0]=1 124 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.1 N#CNC1=CC=C(C=C1)Cl CNP0231069.0 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [0,1,0,0,0,0|1,1,1]=4 131 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [0,1,0,0,0,0|0,0,1]=2 146 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [0,1,0,0,0,0|0,0,1]=2 153 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [0,1,0,0,0,0|0,0,1]=2 154 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [0,1,0,0,0,0|0,0,1]=2 155 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [0,1,0,0,0,0|0,0,0]=1 156 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [0,1,0,0,0,0|0,0,0]=1 157 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [0,1,0,0,0,0|0,0,0]=1 158 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,1,0,0,0,0|1,0,2]=4 165 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [0,1,0,0,0,0|1,0,2]=4 166 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,0,0|1,0,2]=4 173 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [0,1,0,0,0,0|1,0,2]=4 179 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [0,1,0,0,0,0|1,0,2]=4 189 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [0,1,0,0,0,0|1,0,2]=4 190 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.13 CN(N)C1=CC=[N+](C=C1)[O-] CNP0580487.0 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,0|0,0,0]=1 227 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,1,0,0,0,0|0,0,0]=1 230 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,1,0,0,0,0|0,0,0]=1 232 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,0,1,0,0,0|2,0,1]=4 266 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,0,1,0,0,0|3,0,0]=4 267 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,0,1,0,0,0|3,0,0]=4 268 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,0,1,0,0,0|3,0,0]=4 269 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,0,1,0,0,0|1,0,2]=4 270 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,0,1,0,0,0|2,0,1]=4 271 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,0,0,0,1,0|3,0,0]=4 272 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,0,0,0,1,0|3,0,0]=4 273 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,0,0,0,1,0|3,0,0]=4 274 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,0,0,0,1,0|3,0,0]=4 275 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,0,0,0,1,0|3,0,0]=4 276 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,0,0,0,1,0|1,0,2]=4 277 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,0,1,0|3,0,0]=4 278 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,0,1,0|2,0,0]=3 279 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,0,0,1,0|2,0,0]=3 280 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,0,0,0,1,0|3,0,0]=4 281 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,0,0,0,1,0|3,0,0]=4 282 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,0,0,0,1,0|3,0,0]=4 283 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,0,0,0,1,0|3,0,0]=4 284 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,0,0,0,1,0|3,0,0]=4 285 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,0,0,0,1,0|3,0,0]=4 286 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,0,0,0,1,0|3,0,0]=4 287 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,0,1,0|3,0,0]=4 288 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,0,0,0,1,0|2,0,1]=4 289 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,0,0,0,1,0|2,0,1]=4 290 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,0,0,0,1,0|2,0,0]=3 291 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,0,0,0,1,0|1,0,2]=4 292 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,0,0,1,0|1,1,0]=3 293 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,0,0,0,1,0|1,1,0]=3 294 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|1,0,0]=3 295 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,1]=4 297 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|0,0,0]=2 299 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,1,0,0,0|0,0,2]=4 300 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [1,0,1,0,0,0|0,0,2]=4 301 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|1,0,0]=3 303 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [1,0,1,0,0,0|0,0,2]=4 305 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [1,0,1,0,0,0|1,0,1]=4 308 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 309 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,2]=4 310 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,0]=2 311 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 312 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 313 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 314 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,0]=3 315 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|0,0,2]=4 317 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 319 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 320 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,0]=3 321 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 324 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 327 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,2]=4 332 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 333 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,1]=4 334 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,1]=4 335 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,1]=4 336 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 337 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 338 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 339 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 340 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 341 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 342 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,1,1,0,0,0|1,0,0]=3 343 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,1,1,0,0,0|1,0,0]=3 344 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [0,1,1,0,0,0|1,0,1]=4 345 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [0,1,1,0,0,0|1,0,1]=4 346 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,1,1,0,0,0|1,0,1]=4 347 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [0,1,1,0,0,0|1,0,1]=4 349 B9R0.34 CC=CC(=CC(=CC)C)C CNP0404267.0 [0,1,1,0,0,0|1,0,1]=4 350 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|0,0,0]=2 362 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|0,0,0]=2 363 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|0,0,0]=2 364 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|0,0,0]=2 365 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,1,0,0,0,0|0,1,0]=3 389 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,1,0,0,0,0|1,1,0]=4 398 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,1,0,0,0,0|1,1,0]=4 399 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,1,0,0,0,0|1,1,0]=4 400 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,1,0,0,0,0|0,0,1]=3 403 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,1,0,0,0,0|0,1,1]=4 404 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,1,0,0,0,0|0,0,0]=2 412 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,1,0,0,0,0|0,0,0]=2 415 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|0,1,0]=3 416 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|0,1,0]=3 417 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,1,0,0,0,0|1,1,0]=4 418 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,1,0,0,0,0|0,1,1]=4 420 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|0,0,1]=3 426 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|1,1,0]=4 427 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,1,0,0,0,0|1,1,0]=4 430 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|0,0,0]=2 448 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|0,0,0]=2 449 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|0,0,0]=2 450 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,1,0,0,0,0|0,0,1]=3 451 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|0,1,0]=3 457 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,1,0,0,0,0|0,0,0]=2 482 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,1,0,0,0,0|1,0,0]=3 483 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,1,0,0,0,0|0,0,0]=2 485 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,1,0,0,0,0|0,0,0]=2 486 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,1,0,0,0,0|0,0,0]=2 489 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,1,0,0,0,0|0,0,0]=2 491 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,1,0,0,0,0|1,0,0]=3 492 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,1,0,0,0,0|1,0,0]=3 493 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,1,0,0,0,0|0,0,0]=2 494 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,1,0,0,0,0|0,1,0]=3 495 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,1,0,0,0,0|0,0,0]=2 496 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,1,0,0,0,0|0,0,0]=2 497 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,1,0,0,0,0|0,0,0]=2 505 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,1,0,0,0,0|1,0,0]=3 506 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,1,0,0,0,0|0,0,0]=2 508 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,1,0,0,0,0|1,1,0]=4 523 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,1,0,0,0,0|1,0,0]=3 531 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,1,0,0,0,0|1,0,0]=3 532 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,1,0,0,1,0|1,0,1]=4 536 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,1,0,0,1,0|1,1,0]=4 537 B9R1.23 COC1=CC(=O)N(C1)C CNP0017529.0 [0,1,0,0,1,0|1,0,1]=4 538 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,1,0|2,0,0]=4 539 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,1,0|2,0,0]=4 540 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,1,0|2,0,0]=4 541 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,1,0|2,0,0]=4 542 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,0,1,0|2,0,0]=4 543 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,1,0,0,1,0|2,0,0]=4 544 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,1,0,0,1,0|2,0,0]=4 545 B9R1.133 CCC1=CC(C=C1)(C)C CNP0076201.0 [0,1,0,0,1,0|1,0,1]=4 546 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.958 CCC1=CC=C(C(=O)C=C1)O CNP0121485.0 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,2,0,0,0,0|1,0,1]=4 550 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,2,0,0,0,0|0,0,0]=2 573 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,2,0,0,0,0|1,0,0]=3 577 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,2,0,0,0,0|1,0,0]=3 594 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,2,0,0,0,0|0,0,0]=2 607 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,2,0,0,0,0|0,0,0]=2 608 B11R1.83 CC=CC1=CCC(C=C1)OC CNP0609217.0 [0,2,0,0,0,0|0,0,2]=4 609 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,2,0,0,0,0|0,0,0]=2 610 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,2,0,0,0,0|0,0,1]=3 611 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,2,0,0,0,0|0,0,0]=2 612 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,2,0,0,0,0|0,0,0]=2 613 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,2,0,0,0,0|0,0,1]=3 614 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,2,0,0,0,0|0,0,1]=3 615 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,2,0,0,0,0|0,0,0]=2 616 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,2,0,0,0,0|0,0,0]=2 617 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,2,0,0,0,0|0,0,0]=2 618 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,2,0,0,0,0|0,0,0]=2 619 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,2,0,0,0,0|1,0,1]=4 634 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,2,0,0,0,0|1,0,1]=4 635 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,2,0,0,0,0|1,0,1]=4 638 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,2,0,0,0,0|1,0,1]=4 641 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,2,0,0,0,0|1,0,1]=4 642 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,2,0,0,0,0|0,0,0]=2 645 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,2,0,0,0,0|0,0,1]=3 646 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,2,0,0,0,0|0,0,1]=3 647 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,2,0,0,0,0|0,0,1]=3 648 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,2,0,0,0,0|0,0,0]=2 649 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,2,0,0,0,0|0,0,0]=2 651 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,2,0,0,0,0|0,0,0]=2 652 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,2,0,0,0,0|0,0,1]=3 661 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,2,0,0,0,0|0,0,1]=3 662 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,2,0,0,0,0|0,0,0]=2 665 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,2,0,0,0,0|0,0,0]=2 666 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,2,0,0,0,0|0,0,0]=2 667 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,2,0,0,0,0|0,0,0]=2 668 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,2,0,0,0,0|0,0,0]=2 669 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [0,2,0,0,0,0|0,0,1]=3 670 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,2,0,0,0,0|0,0,0]=2 671 B11R1.279 COC1=CC=C(C(=N1)N)N=O CNP0131979.0 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [0,2,0,0,0,0|0,0,1]=3 673 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,2,0,0,0,0|0,0,0]=2 674 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [0,2,0,0,0,0|0,0,1]=3 675 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [0,2,0,0,0,0|0,0,1]=3 676 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,2,0,0,0,0|0,0,0]=2 677 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,2,0,0,0,0|0,0,1]=3 678 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,2,0,0,0,0|0,0,0]=2 679 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,2,0,0,0,0|0,0,0]=2 680 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.279 COC1=NC=C(C(=N)N1)CO CNP0364997.0 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.279 COC1=NC=C(C(=N1)N)CO CNP0578030.0 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [0,2,0,0,0,0|1,1,0]=4 687 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [0,2,0,0,0,0|1,1,0]=4 688 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [0,2,0,0,0,0|1,0,1]=4 690 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [0,2,0,0,0,0|1,0,1]=4 716 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.37 COC1=C(CN(C=C1)C)OC CNP0265801.0 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.37 COC1=CC=[N+](C=C1C#N)[O-] CNP0484476.0 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.37 COC1=CCN(C=C1OC)C CNP0568941.0 [0,2,0,0,0,0|1,0,1]=4 726 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [0,2,0,0,0,0|1,0,0]=3 729 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,2,0,0,0,0|0,0,0]=2 733 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [0,2,0,0,0,0|0,0,0]=2 734 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,2,0,0,0,0|0,0,0]=2 735 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.278 COC1=C(N(C(=O)C=C1)O)C CNP0329943.0 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.278 COC1=C(N(C(=O)C=C1)[O-])C CNP0494378.0 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.278 COC1=CC=C(C(=C1Br)C)Cl CNP0611848.0 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,2,0,0,0,0|0,0,0]=2 742 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.464 CC1=CC(=C(C(=C1)C)N=O)C CNP0216799.0 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.464 CC1=CC(=C(C(=C1)Cl)C=O)Cl CNP0026222.0 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.464 CC1=CC(=C(C(=C1)O)C=O)O CNP0218508.0 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.464 CCC1=C(C=C(N=C1Cl)C)Cl CNP0188033.0 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.464 CCC1=C(C=C(OC1=O)C)O CNP0431819.0 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.464 COC1=C(C=C(C=C1Br)Br)Br CNP0126610.0 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.464 COC1=C(C=C(C=C1Br)Br)O CNP0097750.0 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.464 COC1=C(C=C(C=C1Br)O)Br CNP0178459.0 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,2,0,0,0,0|0,0,0]=2 755 B11R1.464 COC1=C(C=C(C=C1Cl)Cl)Cl CNP0178727.0 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.464 COC1=C(C=C(NC1=O)C)O CNP0316494.0 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.14 CCC1=CC(=C(C(=O)O1)C)O CNP0148440.0 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.14 COC1=CC(=C(C(=C1)Br)O)Br CNP0419946.0 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C CNP0205664.0 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.14 COC1=CC(=C(C(=C1)Cl)O)Cl CNP0210331.0 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.14 COC1=CC(=C(C(=C1)O)C)O CNP0312414.0 [0,2,0,0,0,0|0,0,0]=2 764 B11R1.14 COC1=CC(=[N+](C(=C1)C)[O-])C CNP0605512.0 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [0,2,0,0,0,0|1,0,0]=3 770 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.280 COC1=CC=C(C(=N1)OC)N CNP0606366.0 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,0,1,1,0,0|1,0,1]=4 774 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,0,1,1,0,0|2,0,0]=4 775 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,0,1,1,0,0|2,0,0]=4 776 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,0,1,1,0,0|2,0,0]=4 777 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,1,1,0,0|1,0,1]=4 778 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|1,0,0]=3 779 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,1,0,1,0,0|2,0,0]=4 780 B11R2.36 CC1=CC2=C(C=N1)ON=N2 CNP0370559.0 [0,1,0,1,0,0|2,0,0]=4 781 B11R2.36 CC1=CC2=NON=C2C=N1 CNP0000962.0 [0,1,0,1,0,0|2,0,0]=4 782 B11R2.36 CC1=CC2=NON=C2N=C1 CNP0422456.0 [0,1,0,1,0,0|2,0,0]=4 783 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,1,0,1,0,0|1,0,1]=4 784 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,1,0,1,0,0|1,0,0]=3 785 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|2,0,0]=4 786 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,1,0,1,0,0|1,0,1]=4 787 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,1,0,1,0,0|1,0,1]=4 788 B11R2.36 CC1=CC=C2ON=NC2=N1 CNP0000850.0 [0,1,0,1,0,0|2,0,0]=4 789 B11R2.36 CC1=CN=C2ON=NC2=C1 CNP0000926.0 [0,1,0,1,0,0|2,0,0]=4 790 B11R2.36 CC1=NC2=NON=C2C=C1 CNP0000865.0 [0,1,0,1,0,0|2,0,0]=4 791 B11R2.36 N=C1C=CC2=NONC2=C1 CNP0242803.0 [0,1,0,1,0,0|2,0,0]=4 792 B11R2.36 NC1=CC2=NON=C2C=C1 CNP0115770.0 [0,1,0,1,0,0|2,0,0]=4 793 B11R2.36 NC1=CC=C2ON=NC2=C1 CNP0001261.0 [0,1,0,1,0,0|2,0,0]=4 794 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|2,0,0]=4 795 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|2,0,0]=4 796 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,1,0,1,0,0|1,0,1]=4 797 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|1,0,0]=3 798 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,1,0,1,0,0|1,0,0]=3 799 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|1,0,1]=4 800 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [0,1,0,1,0,0|0,0,0]=2 801 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|1,0,0]=3 802 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [0,1,0,1,0,0|1,0,0]=3 803 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,1,0,1,0|1,0,1]=4 804 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,1,0,1,0|1,0,1]=4 805 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|2,0,0]=4 806 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|2,0,0]=4 807 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|2,0,0]=4 808 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|2,0,0]=4 809 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|2,0,0]=4 810 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|1,0,0]=3 811 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|1,0,0]=3 812 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|1,0,1]=4 813 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|1,1,0]=4 814 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,0,0,0,1,0|1,1,0]=4 815 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,0,0,0,1,0|1,1,0]=4 816 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,0,0,0,1,0|2,0,0]=4 817 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,0,1,0|1,0,0]=3 818 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,0,1,0|1,0,0]=3 819 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,0,1,0|1,0,0]=3 820 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,0,0,0,1,0|2,0,0]=4 821 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,0,0,0,1,0|2,0,0]=4 822 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,0,0,0,1,0|2,0,0]=4 823 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,0,0,0,1,0|2,0,0]=4 824 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,0,0,0,1,0|2,0,0]=4 825 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,0,1,0|1,0,0]=3 826 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,0,0,0,1,0|2,0,0]=4 827 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,0,0,0,1,0|1,0,0]=3 828 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,0,0,0,1,0|2,0,0]=4 829 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,0,0,0,1,0|2,0,0]=4 830 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,0,0,0,1,0|2,0,0]=4