0 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,0,0,0|0,0,0]=0 15 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,0,0,0,0,0|1,0,1]=2 17 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,0,0,0|1,1,0]=2 20 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,0,0,0,0,0|1,1,0]=2 21 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|0,0,0]=1 52 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|1,0,0]=2 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|2,0,0]=3 61 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|0,0,2]=3 76 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|1,0,2]=4 81 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|0,0,0]=1 83 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,0,0,0|0,0,2]=3 86 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|1,1,0]=3 87 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|0,1,0]=2 88 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [0,1,0,0,0,0|1,1,0]=3 112 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.1 NNC1=CC=C(N=N1)Cl CNP0123180.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,0|1,1,0]=3 153 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,0,0,0|1,1,0]=3 154 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,1,0,0,0,0|1,1,0]=3 181 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,1,0,0,0,0|2,1,0]=4 196 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,1,0,0,0,0|2,1,0]=4 197 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,1,0,0,0,0|2,1,0]=4 198 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [0,1,0,0,0,0|1,0,1]=3 201 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,1,0,0,0,0|1,1,1]=4 202 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.8 CC=CC1CC=CC=N1 CNP0077182.0 [0,1,0,0,0,0|1,0,2]=4 206 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,1,0,0,0,0|1,0,0]=2 208 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,1,0,0,0,0|1,0,0]=2 216 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,1,0,0,0,0|1,1,0]=3 217 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,1,0,0,0,0|1,1,0]=3 218 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,1,0,0,0,0|0,1,0]=2 219 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,1,0,0,0,0|1,1,0]=3 220 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [0,1,0,0,0,0|1,1,1]=4 222 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,1,0,0,0,0|2,0,1]=4 226 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [0,1,0,0,0,0|1,0,1]=3 229 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [0,1,0,0,0,0|2,1,0]=4 230 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,1,0,0,0,0|2,1,0]=4 233 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,1,0,0,0,0|2,0,0]=3 236 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,0|1,0,0]=2 257 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,0|1,0,1]=3 258 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,0|0,0,0]=1 262 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,0|1,0,0]=2 263 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,0|1,1,0]=3 264 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,0|1,1,0]=3 265 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|2,0,0]=3 276 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,1,0,0,0|2,0,0]=3 277 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,1,0,0,0|2,0,1]=4 278 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|2,0,0]=3 279 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,1,0,0,0|2,0,1]=4 280 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|2,0,0]=3 281 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,0,1,0,0,0|2,0,1]=4 282 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,1,0,0,0|2,0,1]=4 283 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,1,0,0,0|2,0,1]=4 284 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,0,1,0,0,0|3,0,0]=4 285 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,0,1,0,0,0|3,0,0]=4 286 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,0,1,0,0,0|1,0,2]=4 287 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,0,1,0,0,0|3,0,0]=4 288 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,0,1,0,0,0|2,0,1]=4 289 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,0,1,0,0,0|2,0,1]=4 290 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,0,1,0,0,0|2,0,1]=4 291 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,0|2,0,0]=3 292 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,0,1,0|2,0,1]=4 294 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,0,0,0,1,0|2,0,1]=4 295 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,0,1,0|2,0,0]=3 296 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,0,1,0|2,0,0]=3 297 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,0,1,0|2,0,0]=3 298 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,0,1,0|2,0,0]=3 299 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,0,1,0|2,0,0]=3 300 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,0,1,0|2,0,0]=3 301 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,0,1,0|0,0,1]=2 302 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,0,1,0|1,0,0]=2 303 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,0,1,0|0,0,1]=2 304 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,0,1,0|1,1,0]=3 305 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,0,0,0,1,0|2,0,1]=4 306 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,0,0,0,1,0|3,0,0]=4 307 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,0,0,0,1,0|3,0,0]=4 308 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,0,0,0,1,0|3,0,0]=4 309 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,0,1,0|2,0,1]=4 310 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,0,1,0|3,0,0]=4 311 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,0,1,0|3,0,0]=4 312 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,0,1,0|3,0,0]=4 313 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,0,1,0|3,0,0]=4 314 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,0,0,0,1,0|3,0,0]=4 315 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,0,1,0|3,0,0]=4 316 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,0,1,0|3,0,0]=4 317 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,0,1,0|3,0,0]=4 318 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,0,1,0|3,0,0]=4 319 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,0,1,0|3,0,0]=4 320 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,0,1,0|3,0,0]=4 321 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|1,0,0]=3 322 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|1,0,1]=4 323 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|1,0,0]=3 324 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|1,0,1]=4 326 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|2,0,0]=4 327 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|2,0,0]=4 328 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|1,0,0]=3 329 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,0,1,0,0,0|2,0,0]=4 330 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,0,1,0,0,0|2,0,0]=4 332 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|1,0,0]=3 334 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|1,0,1]=4 335 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|1,0,0]=3 336 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|0,0,0]=2 337 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|1,0,0]=3 338 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|1,0,1]=4 339 B6R1.1 C1=CCCC=C1 CNP0267898.0 [2,0,0,0,0,0|1,0,1]=4 340 B6R1.1 C1=CCN=CC1 CNP0062927.0 [2,0,0,0,0,0|0,0,2]=4 341 B6R1.1 C1=CCNC=C1 CNP0081217.0 [2,0,0,0,0,0|0,0,2]=4 342 B6R1.1 C1=CCOC=C1 CNP0513975.0 [2,0,0,0,0,0|1,0,1]=4 343 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [2,0,0,0,0,0|1,0,1]=4 344 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|1,0,0]=3 345 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|1,0,0]=3 346 B6R1.1 C1=CNCN=C1 CNP0472134.0 [2,0,0,0,0,0|1,0,1]=4 347 B6R1.1 C1=CSSC=C1 CNP0509445.0 [2,0,0,0,0,0|2,0,0]=4 348 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|1,0,0]=3 349 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,1,0,0,0|1,0,0]=3 351 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,1,0,0,0|2,0,0]=4 355 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,1,0,0,0|2,0,0]=4 356 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|0,0,0]=2 365 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|0,0,0]=2 366 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|0,0,0]=2 367 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|0,0,0]=2 369 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,1]=4 370 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|0,0,2]=4 372 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,1,0,0,0,0|0,0,2]=4 382 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|0,0,0]=2 389 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,1,0,0,0,0|0,0,0]=2 390 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,1,0,0,0,0|0,0,1]=3 391 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,1,0,0,0,0|1,0,0]=3 394 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,1,0,0,0,0|0,0,0]=2 398 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,1,0,0,0,0|0,0,0]=2 399 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,1,0,0,0,0|0,0,0]=2 400 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,1,0,0,0,0|0,0,0]=2 402 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,1,0,0,0,0|1,0,1]=4 405 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,1,0,0,0,0|1,0,1]=4 406 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,1,0,0,0,0|1,0,1]=4 407 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [1,1,0,0,0,0|1,0,0]=3 413 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [1,1,0,0,0,0|1,0,1]=4 419 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [1,1,0,0,0,0|1,0,1]=4 421 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [1,1,0,0,0,0|1,0,1]=4 422 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,1,0,0,0,0|1,0,0]=3 424 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.4 OC1=NC=C[C@@H](N1)O CNP0520430.1 [1,1,0,0,0,0|1,0,1]=4 428 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,1,0,0,0,0|1,0,1]=4 429 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,1,0,0,0,0|1,0,1]=4 432 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,1,0,0,0,0|1,0,1]=4 433 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,1,0,0,0,0|0,0,1]=3 440 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,1,0,0,0,0|0,0,1]=3 441 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,1,0,0,0,0|0,0,0]=2 442 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,1,0,0,0,0|1,0,1]=4 444 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [1,1,0,0,0,0|1,0,1]=4 447 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,1,0,0,0,0|0,0,0]=2 448 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,1,0,0,0,0|1,0,0]=3 453 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,1,0,0,0,0|1,1,0]=4 454 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,1,0,0,0,0|1,0,1]=4 456 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,1,0,0,0,0|1,0,1]=4 457 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,1,0,0,0,0|0,0,2]=4 460 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,1,0,0,0,0|1,0,1]=4 461 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,1,0,0,0,0|1,0,0]=3 463 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,1,0,0,0,0|0,0,0]=2 466 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,1,0,0,0,0|0,1,1]=4 468 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,1,0,0,0,0|1,0,0]=3 469 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [1,1,0,0,0,0|1,0,1]=4 470 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [1,1,0,0,0,0|1,0,1]=4 472 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,1,0,0,0,0|0,1,1]=4 474 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,1,0,0,0,0|0,1,1]=4 475 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,1,0,0,0,0|0,1,1]=4 476 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,1,0|2,0,0]=4 477 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,1,0|2,0,0]=4 478 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,1,0|2,0,0]=4 479 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,1,0|2,0,0]=4 480 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,1,0|2,0,0]=4 481 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,1,0|2,0,0]=4 482 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,1,0|2,0,0]=4 483 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,1,0|2,0,0]=4 484 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,1,0|2,0,0]=4 485 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,1,0,0,1,0|1,0,1]=4 486 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,0,1,0|1,0,1]=4 487 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,0,1,0|2,0,0]=4 488 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,0,1,0|0,0,2]=4 489 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,1,0|1,1,0]=4 490 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,1,0|1,1,0]=4 491 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,0,1,0|1,0,0]=3 493 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,1,0,0,1,0|1,0,1]=4 494 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,1,0,0,1,0|2,0,0]=4 495 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,1,0,0,1,0|2,0,0]=4 496 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,1,0,0,1,0|2,0,0]=4 498 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,1,0,0,1,0|2,0,0]=4 499 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,1,0,0,1,0|2,0,0]=4 500 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,0,1,0|2,0,0]=4 503 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,0,1,0|2,0,0]=4 504 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,0,1,0|2,0,0]=4 505 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,1,0,0,1,0|2,0,0]=4 506 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,0,1,0|2,0,0]=4 507 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,1,0,0,1,0|1,0,0]=3 511 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,0,1,0|1,0,0]=3 512 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,0,1,0|1,1,0]=4 513 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,1,0,0,1,0|1,1,0]=4 514 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,1,0,0,1,0|2,0,0]=4 515 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,0,1,0|2,0,0]=4 516 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,1,0,0,1,0|2,0,0]=4 517 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,1,0,0,1,0|2,0,0]=4 518 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,1,0|2,0,0]=4 519 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,0,1,0|1,0,1]=4 520 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,1,0|1,1,0]=4 521 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,1,0,0,0,1|1,0,0]=3 523 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,2,0,0,0,0|1,0,0]=3 592 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.8 COC1=CC(=CC(=C1)Cl)Cl CNP0017966.0 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.8 COC1=CC(=CC(=C1)O)C CNP0325489.0 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.8 COC1=CC(=CC(=C1)O)O CNP0081787.0 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.8 COC1=CC(=O)OC(=C1)C CNP0494967.0 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.10 CC1=CC=CC(=N1)NC#N CNP0244441.0 [0,2,0,0,0,0|1,0,1]=4 615 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,2,0,0,0,0|1,0,0]=3 622 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [0,2,0,0,0,0|1,1,0]=4 624 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,2,0,0,0,0|1,1,0]=4 641 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.113 CC1=CC=CC(=N1)C(Br)Br CNP0382790.0 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.172 CCC1=CN=CC(=N1)CC CNP0332253.0 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.172 N#CC1=CC=CC(=N1)C#N CNP0213558.0 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.172 N#CC1=CC=CC(=N1)C=O CNP0065484.0 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,2,0,0,0,0|0,0,0]=2 684 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,2,0,0,0,0|1,1,0]=4 688 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,2,0,0,0,0|0,1,0]=3 689 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,2,0,0,0,0|0,1,0]=3 690 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,2,0,0,0,0|1,0,1]=4 718 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,2,0,0,0,0|1,0,0]=3 724 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,2,0,0,0,0|0,1,1]=4 727 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,2,0,0,0,0|1,0,1]=4 730 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,2,0,0,0,0|1,1,0]=4 739 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,2,0,0,0,0|1,0,0]=3 741 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,2,0,0,0,0|1,0,0]=3 742 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,2,0,0,0,0|1,0,0]=3 744 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,2,0,0,0,0|1,1,0]=4 745 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,2,0,0,0,0|1,1,0]=4 746 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,2,0,0,0,0|0,0,0]=2 750 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,2,0,0,0,0|1,0,1]=4 753 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,2,0,0,0,0|1,1,0]=4 758 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,2,0,0,0,0|2,0,0]=4 763 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,2,0,0,0,0|1,0,1]=4 766 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,2,0,0,0,0|1,0,0]=3 769 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,2,0,0,0,0|1,1,0]=4 776 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,2,0,0,0,0|1,1,0]=4 777 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,2,0,0,0,0|1,0,1]=4 779 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,2,0,0,0,0|1,0,0]=3 786 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,2,0,0,0,0|1,0,0]=3 790 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,2,0,0,0,0|1,0,0]=3 791 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.20 COC1=CC=NC=C1C#N CNP0112876.0 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,2,0,0,0,0|1,0,0]=3 797 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,2,0,0,0,0|1,0,0]=3 798 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,2,0,0,0,0|1,0,0]=3 799 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,2,0,0,0,0|1,0,0]=3 800 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,2,0,0,0,0|2,0,0]=4 802 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,0,1,1,0,0|2,0,0]=4 803 B8R2.25 C1=CC2OC2C=C1 CNP0472206.0 [1,0,0,1,0,0|1,0,1]=4 804 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|1,0,0]=3 805 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,1,0,1,0,0|1,0,0]=3 806 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,1,0,1,0,0|1,0,0]=3 807 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,1,0,1,0,0|2,0,0]=4 808 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,1,0,1,0,0|2,0,0]=4 809 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,1,0,1,0,0|2,0,0]=4 810 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,1,0,1,0,0|2,0,0]=4 811 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,1,0,1,0,0|2,0,0]=4 812 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,1,0,1,0,0|2,0,0]=4 813 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,1,0,1,0,0|2,0,0]=4 814 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,1,0,1,0,0|2,0,0]=4 815 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,1,0,1,0,0|2,0,0]=4 816 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [0,1,0,1,0,0|2,0,0]=4 817 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,1,0,1,0,0|2,0,0]=4 818 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [0,1,0,1,0,0|1,0,1]=4 819 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [0,1,0,1,0,0|1,0,1]=4 820 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,1,0,1,0,0|1,0,0]=3 821 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,1,0,1,0,0|2,0,0]=4 822 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,1,0,1,0,0|2,0,0]=4 823 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,1,0,1,0,0|1,0,0]=3 824 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,1,0,1,0,0|2,0,0]=4 825 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,1,0,1,0,0|1,0,1]=4 826 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [0,1,0,1,0,0|1,0,1]=4 827 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,1,0,1,0,0|1,0,0]=3 828 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,1,0,1,0,0|1,0,0]=3 829 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,1,0,1,0,0|1,1,0]=4 830 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,1,0,1,0,0|1,0,0]=3 831 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [0,1,0,1,0,0|1,0,1]=4 832 B10R2.7 C1=CN=C2NN=NC2=C1 CNP0234599.0 [0,1,0,1,0,0|2,0,0]=4 833 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,1,0,1,0,0|2,0,0]=4 834 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|0,0,1]=3 835 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|0,0,1]=3 836 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,0]=3 837 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,0]=3 838 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,1,0|1,0,1]=4 839 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,1,0|2,0,0]=4 840 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|1,0,0]=3 841 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,1,0|1,0,0]=3 842 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,1,0|2,0,0]=4 843 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,0]=3 844 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,0]=3 845 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,1,0|1,0,0]=3 846 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,1,0|1,0,0]=3 847 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,1,0|2,0,0]=4 848 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|1,0,0]=3 849 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,1,0|2,0,0]=4 850 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,1,0|2,0,0]=4 851 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,1,0|2,0,0]=4 852 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,1,0|2,0,0]=4 853 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,1,0|2,0,0]=4 854 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,1,0|2,0,0]=4 855 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,1,0|1,0,1]=4 856 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|1,0,0]=3 857 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,1,0|2,0,0]=4 858 B6R1.2 OC1=NNC=N1 CNP0175966.0 [1,0,0,0,1,0|2,0,0]=4 859 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|1,1,0]=4 860 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|1,1,0]=4