0 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,0,0,0|2,1,0]=3 13 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,0,0,0|1,1,0]=2 14 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,0,0,0|1,1,0]=2 15 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,0,0,0,0,0|2,1,1]=4 16 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,0,0,0,0,0|0,1,0]=1 17 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,0,0,0,0,0|0,0,0]=0 19 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|0,0,0]=1 52 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|2,1,0]=4 63 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|1,1,1]=4 64 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|2,1,0]=4 66 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|0,1,1]=3 67 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|1,1,0]=3 69 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|1,1,0]=3 70 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,1,0,0,0,0|1,0,1]=3 73 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,1,0,0,0,0|2,1,0]=4 83 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,1,0,0,0,0|2,1,0]=4 84 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,0,0,0|2,1,0]=4 85 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,1,0,0,0,0|0,1,0]=2 86 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,0|2,1,0]=4 104 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,0|2,1,0]=4 106 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,0|2,1,0]=4 107 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,0|0,1,0]=2 108 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,0|2,1,0]=4 109 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,0|0,0,0]=1 110 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,1,0,0,0,0|1,1,0]=3 152 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,1,0,0,0,0|2,1,0]=4 154 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,0|1,0,1]=3 165 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,0|2,1,0]=4 176 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,0|2,1,0]=4 177 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,0|2,1,0]=4 178 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,0|2,1,0]=4 179 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,0|1,1,0]=3 180 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,0|1,1,1]=4 181 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,0|2,1,0]=4 182 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,0|1,1,0]=3 183 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,0|0,1,0]=2 184 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,0|0,0,0]=1 186 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,1,0,0,0|3,0,0]=4 189 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|3,0,0]=4 190 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,0,1,0,0,0|2,0,1]=4 192 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,0|3,0,0]=4 193 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,0,1,0|2,0,1]=4 195 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,0,0,0,1,0|2,0,1]=4 196 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,0,0,0,1,0|1,0,2]=4 197 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,0,1,0|2,0,0]=3 198 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,0,1,0|2,0,0]=3 199 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,0,1,0|2,0,0]=3 201 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,0,1,0|2,0,0]=3 202 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,0,1,0|3,0,0]=4 203 B7R1.1 CCN1C=NN=C1 CNP0611862.0 [0,0,0,0,1,0|3,0,0]=4 204 B7R1.1 CNC1=NN=NS1 CNP0348858.0 [0,0,0,0,1,0|3,0,0]=4 205 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,0,1,0|0,1,1]=3 206 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,0,1,0|1,1,0]=3 207 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,0,1,0|0,1,1]=3 208 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,0,1,0|1,0,0]=2 209 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,0,0,0,1,0|2,0,1]=4 210 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,0,0,0,1,0|3,0,0]=4 211 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,0,0,0,1,0|3,0,0]=4 212 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,0,0,0,1,0|3,0,0]=4 213 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,0,1,0|2,0,1]=4 214 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,0,1,0|3,0,0]=4 215 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,0,1,0|3,0,0]=4 216 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,0,1,0|3,0,0]=4 217 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,0,1,0|3,0,0]=4 218 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,0,1,0|3,0,0]=4 219 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,0,1,0|3,0,0]=4 220 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,0,1,0|3,0,0]=4 221 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,0,1,0|3,0,0]=4 222 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,0,1,0|3,0,0]=4 223 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,0,1,0|3,0,0]=4 224 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|2,0,0]=4 226 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|2,0,0]=4 227 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|2,0,0]=4 228 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|2,0,0]=4 229 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|2,0,0]=4 230 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|2,0,0]=4 231 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|1,0,0]=3 232 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|2,0,0]=4 233 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|2,0,0]=4 234 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|0,0,0]=2 235 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.20 CSC(=NN)C(=NN)N CNP0478752.0 [0,1,1,0,0,0|2,0,0]=4 238 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,1]=4 250 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,1,0,0,0,0|0,0,0]=2 251 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [1,1,0,0,0,0|0,0,2]=4 253 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|1,1,0]=4 258 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,1,0,0,0,0|1,0,0]=3 269 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,1,0,0,0,0|0,0,0]=2 277 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,1,0,0,0,0|0,0,1]=3 278 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [1,1,0,0,0,0|0,1,1]=4 282 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,1,0,0,0,0|1,0,1]=4 291 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,1,0,0,0,0|1,0,1]=4 292 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,1,0,0,0,0|1,0,1]=4 295 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [1,1,0,0,0,0|0,0,1]=3 298 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,1,0,0,0,0|0,0,0]=2 300 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,1,0,0,0,0|1,1,0]=4 304 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,1,0,0,0,0|1,1,0]=4 305 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,1,0,0,0,0|1,1,0]=4 306 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,1,0,0,0,0|1,0,1]=4 308 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,1,0|1,0,1]=4 316 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,1,0|2,0,0]=4 319 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,0,1,0|1,1,0]=4 320 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,1,0|1,0,0]=3 321 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,1,0|1,0,0]=3 322 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,1,0,0,1,0|1,0,1]=4 325 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,1,0,0,1,0|2,0,0]=4 336 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,1,0,0,1,0|2,0,0]=4 337 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,1,0,0,1,0|1,1,0]=4 340 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,1,0,0,1,0|1,1,0]=4 341 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,0,1,0|1,1,0]=4 342 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,0,1,0|1,0,0]=3 343 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,1,0,0,1,0|1,0,0]=3 344 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,1,0,0,1,0|1,0,1]=4 346 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,1,0,0,1,0|1,0,1]=4 347 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [0,1,0,0,1,0|2,0,0]=4 348 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,1,0,0,1,0|1,0,1]=4 350 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,1,0,0,1,0|1,0,1]=4 352 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,1,0|1,0,0]=3 356 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,2,0,0,0,0|1,0,1]=4 357 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,2,0,0,0,0|1,0,0]=3 358 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,2,0,0,0,0|1,0,0]=3 359 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,2,0,0,0,0|0,1,0]=3 360 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,2,0,0,0,0|1,0,0]=3 365 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,2,0,0,0,0|1,0,0]=3 369 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,2,0,0,0,0|0,1,0]=3 370 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [0,2,0,0,0,0|1,0,1]=4 375 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,2,0,0,0,0|1,0,0]=3 376 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,2,0,0,0,0|0,1,0]=3 377 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [0,2,0,0,0,0|1,0,1]=4 379 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,2,0,0,0,0|0,1,0]=3 382 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,2,0,0,0,0|0,0,0]=2 383 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.172 CCC1=CN=CC(=N1)CC CNP0332253.0 [0,2,0,0,0,0|1,0,0]=3 389 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,2,0,0,0,0|1,1,0]=4 394 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,2,0,0,0,0|1,1,0]=4 395 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,2,0,0,0,0|0,1,0]=3 396 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,2,0,0,0,0|1,0,0]=3 399 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,2,0,0,0,0|1,0,0]=3 404 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,2,0,0,0,0|0,1,0]=3 406 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,2,0,0,0,0|1,1,0]=4 415 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,2,0,0,0,0|1,1,0]=4 417 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,2,0,0,0,0|0,1,0]=3 422 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|2,0,0]=4 423 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,1,0,1,0,0|2,0,0]=4 424 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [0,1,0,1,0,0|1,0,1]=4 425 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,1,0,1,0,0|2,0,0]=4 426 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,1,0,1,0,0|1,0,0]=3 427 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,1,0,1,0,0|2,0,0]=4 428 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,1,0,1,0,0|2,0,0]=4 429 B10R2.7 C1=CN=C2NC=NC2=N1 CNP0404111.0 [0,1,0,1,0,0|1,0,1]=4 430 B10R2.7 C1=CN=C2NN=CC2=N1 CNP0367897.0 [0,1,0,1,0,0|1,0,1]=4 431 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|0,0,1]=3 432 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|0,0,1]=3 433 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,0]=3 434 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,0]=3 435 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,1,0|0,0,1]=3 436 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,1,0|1,0,0]=3 437 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,1,0|2,0,0]=4 438 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|0,0,1]=3 439 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,1,0|0,0,1]=3 440 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,1,0|1,0,0]=3 441 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,0]=3 442 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,0]=3 443 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,1,0|1,0,0]=3 444 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,1,0|1,0,0]=3 445 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,1,0|2,0,0]=4 446 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|2,0,0]=4 447 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,1,0|1,0,0]=3 448 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,1,0|2,0,0]=4 449 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,1,0|1,0,1]=4 450 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,1,0|2,0,0]=4 451 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,1,0|1,0,1]=4 452 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,1,0|2,0,0]=4 453 B6R1.2 NC1=NC=NN1 CNP0407759.0 [1,0,0,0,1,0|2,0,0]=4 454 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,1,0|2,0,0]=4 455 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,1,0|1,1,0]=4 456 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|1,1,0]=4 457 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,1,0|1,1,0]=4 458 B6R1.2 OC1=NNC=N1 CNP0175966.0 [1,0,0,0,1,0|1,1,0]=4 459 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|1,0,0]=3 460 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|1,0,0]=3