0 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.8 CC=CC1CC=CC=N1 CNP0077182.0 [0,0,0,0,0,0|0,0,4]=4 7 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,0,0,0|0,0,4]=4 14 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|0,0,0]=1 45 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,0,0,0,0,0|2,0,1]=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|1,0,0]=2 62 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|1,0,1]=3 66 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 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|1,0,0]=2 75 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,1,0,0,0,0|1,0,2]=4 81 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,1,0,0,0,0|1,0,2]=4 85 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,1,0,0,0,0|1,0,2]=4 86 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,1,0,0,0,0|1,0,2]=4 100 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,1,0,0,0,0|1,0,2]=4 101 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,1,0,0,0,0|1,0,2]=4 104 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [0,1,0,0,0,0|1,0,2]=4 117 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.10 CC1=CC=CC(=N1)NC#N CNP0244441.0 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,0,0,0|1,0,2]=4 126 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,1,0,0,0,0|1,0,2]=4 134 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,1,0,0,0,0|1,0,2]=4 175 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,1,0,0,0,0|1,0,2]=4 177 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,0,0,0|0,0,0]=1 180 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,1,0,0,0,0|0,0,0]=1 187 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,1,0,0,0,0|1,0,2]=4 203 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,1,0,0,0,0|1,0,2]=4 204 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,1,0,0,0,0|1,0,1]=3 214 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,1,0,0,0,0|0,0,0]=1 219 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,0,1,0,0,0|2,0,1]=4 236 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,0,1,0,0,0|1,0,1]=3 237 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,0,1,0,0,0|1,0,2]=4 238 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,0,1,0,0,0|2,0,1]=4 239 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,0,1,0,0,0|2,0,1]=4 240 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,1,0,0,0|1,0,0]=2 241 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,0,1,0,0,0|1,0,1]=3 242 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,0,1,0,0,0|2,0,1]=4 243 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,0,1,0,0,0|1,0,2]=4 244 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,0,1,0,0,0|2,0,1]=4 245 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,0,1,0,0,0|1,0,2]=4 246 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|2,0,0]=3 247 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|2,0,0]=3 248 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,0|2,0,0]=3 249 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,0,0,1,0,0|1,0,2]=4 250 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,0,0,1,0,0|0,0,2]=3 251 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,0,0,1,0,0|1,0,2]=4 252 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,0|1,0,0]=2 253 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,0,0,1,0,0|2,0,0]=3 254 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,0,0,1,0,0|2,0,0]=3 255 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,0|2,0,0]=3 256 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,0,0,1,0,0|3,0,0]=4 257 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,0,0,1,0,0|3,0,0]=4 258 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,0,0,1,0,0|1,0,1]=3 259 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,0|0,0,0]=1 260 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [0,0,0,1,0,0|1,0,2]=4 261 B10R2.7 C1=CN=C2NN=NC2=C1 CNP0234599.0 [0,0,0,1,0,0|3,0,0]=4 262 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,0,0,1,0,0|2,0,1]=4 263 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|1,0,0]=2 264 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|1,0,0]=2 265 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|2,0,0]=3 266 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|2,0,0]=3 267 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|2,0,0]=3 268 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|2,0,0]=3 269 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|2,0,1]=4 270 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|2,0,0]=3 271 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,0,0,0,1,0|1,0,2]=4 273 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,0,0,0,1,0|1,0,2]=4 274 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,0,0,1,0|1,0,2]=4 275 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,0,1,0|1,0,0]=2 276 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,0,1,0|1,0,0]=2 277 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,0,1,0|1,0,0]=2 278 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,0,0,0,1,0|3,0,0]=4 279 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,0,0,0,1,0|2,0,0]=3 280 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,0,1,0|2,0,0]=3 281 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,0,1,0|2,0,0]=3 282 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,0,0,0,1,0|3,0,0]=4 283 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,0,0,0,1,0|2,0,1]=4 284 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,0,0,0,1,0|2,0,1]=4 285 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,0,0,0,1,0|2,0,1]=4 286 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,0,0,0,1,0|2,0,0]=3 287 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [0,0,0,0,1,0|3,0,0]=4 288 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,0,0,0,1,0|2,0,1]=4 289 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,0,0,0,1,0|2,0,1]=4 290 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,0,1,0|2,0,0]=3 291 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,0,0,0,1,0|2,0,1]=4 292 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,0,0,0,1,0|3,0,0]=4 293 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,0,0,0,1,0|2,0,0]=3 294 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,0,0,0,1,0|2,0,0]=3 295 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,0,0,0,1,0|3,0,0]=4 296 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|0,0,1]=3 297 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,1,0,0,0|0,0,1]=3 299 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,1]=4 300 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|0,0,1]=3 301 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|1,0,0]=3 302 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|1,0,0]=3 305 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,1,0,0,0|1,0,1]=4 309 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,1,0,0,0|1,0,1]=4 312 B7R0.12 C=NC(=COC)CC CNP0213287.0 [1,0,1,0,0,0|1,0,1]=4 313 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|1,0,1]=4 315 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|1,0,0]=3 316 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|0,0,0]=2 317 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|1,0,1]=4 318 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|1,0,0]=3 321 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|1,0,1]=4 322 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 324 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 325 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|1,0,0]=3 331 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 334 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|2,0,0]=4 336 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 337 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,0,0]=3 339 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,1,1,0,0,0|1,0,1]=4 342 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,1,1,0,0,0|1,0,1]=4 343 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,1,1,0,0,0|0,0,1]=3 344 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,1,1,0,0,0|1,0,0]=3 345 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,1,1,0,0,0|1,0,0]=3 346 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,1,1,0,0,0|1,0,1]=4 347 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,1,1,0,0,0|1,0,1]=4 348 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,1,1,0,0,0|1,0,0]=3 349 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,1,1,0,0,0|1,0,1]=4 350 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|1,0,0]=3 353 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|0,0,0]=2 357 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|0,0,0]=2 379 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|0,0,0]=2 382 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|0,0,1]=3 402 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|0,0,0]=2 428 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,0,1,0|0,0,2]=4 443 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,0,1,0|2,0,0]=4 444 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,0,1,0|1,0,0]=3 445 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,0,1,0|1,0,0]=3 446 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,0,1,0|1,0,0]=3 447 B9R1.7 CN1C=NC(=C1)CCN CNP0415799.0 [0,1,0,0,1,0|2,0,0]=4 448 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,1,0|0,0,2]=4 449 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,1,0|1,0,1]=4 450 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,1,0|1,0,1]=4 451 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,1,0,0,1,0|1,0,1]=4 452 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,1,0,0,1,0|1,0,0]=3 453 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,1,0,0,1,0|2,0,0]=4 454 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,0,1,0|1,0,0]=3 455 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,1,0,0,1,0|2,0,0]=4 456 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,1,0,0,1,0|1,0,0]=3 457 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,1,0,0,1,0|1,0,0]=3 458 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,1,0,0,1,0|1,0,0]=3 459 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,1,0,0,1,0|1,0,0]=3 460 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,1,0,0,1,0|1,0,0]=3 461 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [0,1,0,0,1,0|1,0,1]=4 462 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,1,0,0,1,0|2,0,0]=4 463 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,1,0,0,1,0|1,0,1]=4 464 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,1,0,0,1,0|1,0,0]=3 465 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,1,0,0,1,0|1,0,0]=3 466 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,1,0,0,1,0|2,0,0]=4 467 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,1,0,0,0,1|1,0,1]=4 468 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,1,0,0,0,1|1,0,1]=4 469 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,2,0,0,0,0|1,0,1]=4 483 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,2,0,0,0,0|1,0,1]=4 486 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,2,0,0,0,0|1,0,1]=4 487 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,2,0,0,0,0|1,0,1]=4 489 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.192 CCCC1=CN=C(C(=N1)C)C CNP0023321.0 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,2,0,0,0,0|1,0,0]=3 540 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.222 CCC(C)C1=NN=CC=C1C CNP0391366.0 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.24 OCCSC1=CN=CC(=N1)Cl CNP0423336.0 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.34 CCCC1=CC(=CC(=C1)O)O CNP0332019.0 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.34 CCCC1=CC(=NC(=N1)S)O CNP0532678.0 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.34 CCCC1=CC(=O)NC(=S)N1 CNP0219351.0 [0,2,0,0,0,0|1,0,1]=4 565 B11R1.34 CCCC1=NC(=CC(=O)N1)C CNP0512816.0 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.34 COCC1=CC(=CC(=C1)O)O CNP0149921.0 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,2,0,0,0,0|0,0,2]=4 568 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.189 COC1=CC=CC(=C1)CCO CNP0066003.0 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.7 C[C@@](N)(CN)C1=CC=CC=C1 CNP0275184.1 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,2,0,0,0,0|1,0,1]=4 581 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,2,0,0,0,0|1,0,1]=4 582 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,2,0,0,0,0|0,0,1]=3 586 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,2,0,0,0,0|1,0,1]=4 592 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,2,0,0,0,0|1,0,0]=3 594 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,2,0,0,0,0|0,0,1]=3 598 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,2,0,0,0,0|1,0,1]=4 601 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,2,0,0,0,0|1,0,1]=4 606 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [0,2,0,0,0,0|0,0,2]=4 613 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,2,0,0,0,0|0,0,0]=2 615 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,2,0,0,0,0|0,0,0]=2 620 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,2,0,0,0,0|1,0,1]=4 629 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,2,0,0,0,0|1,0,0]=3 631 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,2,0,0,0,0|1,0,1]=4 632 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [0,2,0,0,0,0|1,0,1]=4 633 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,2,0,0,0,0|1,0,1]=4 635 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,2,0,0,0,0|1,0,1]=4 636 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,2,0,0,0,0|1,0,1]=4 642 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,2,0,0,0,0|1,0,1]=4 645 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,2,0,0,0,0|1,0,1]=4 647 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,2,0,0,0,0|1,0,1]=4 648 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,2,0,0,0,0|1,0,1]=4 649 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,2,0,0,0,0|1,0,1]=4 650 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,2,0,0,0,0|1,0,1]=4 651 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,2,0,0,0,0|1,0,1]=4 656 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,2,0,0,0,0|1,0,1]=4 658 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,2,0,0,0,0|1,0,1]=4 661 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,2,0,0,0,0|0,0,1]=3 663 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,2,0,0,0,0|0,0,1]=3 664 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,1,1,0,0|1,0,0]=3 676 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,0,1,1,0,0|2,0,0]=4 677 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [0,0,1,1,0,0|2,0,0]=4 678 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|1,0,0]=3 679 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [1,0,0,1,0,0|1,0,1]=4 680 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,1,0|1,0,0]=3 681 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,1,0,1,0,0|1,0,0]=3 682 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,1,0,1,0,0|1,0,0]=3 683 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|0,0,0]=2 684 B11R2.36 CC1=CN=C2CCCC2=N1 CNP0296530.0 [0,1,0,1,0,0|1,0,0]=3 685 B11R2.36 CC1=NC=C2CSCC2=N1 CNP0211272.0 [0,1,0,1,0,0|2,0,0]=4 686 B11R2.36 O=C1C=C2CCCC2=NN1 CNP0571558.0 [0,1,0,1,0,0|1,0,0]=3 687 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|1,0,0]=3 688 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|2,0,0]=4 689 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|2,0,0]=4 690 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,1,0,1,0,0|1,0,0]=3 691 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,1,0,1,0,0|1,0,0]=3 692 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,1,0,1,0,0|1,0,1]=4 693 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,1,0,1,0,0|1,0,0]=3 694 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,1,0,1,0,0|1,0,0]=3 695 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,1,0,1,0,0|1,0,0]=3 696 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,1,0,1,0,0|2,0,0]=4 697 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [0,1,0,1,0,0|1,0,1]=4 698 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,1,0,1,0,0|0,0,0]=2 699 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,1,0,1,0,0|1,0,0]=3 700 B11R2.20 C1=NC2=NCCN=C2C=N1 CNP0036237.0 [0,1,0,1,0,0|2,0,0]=4 701 B11R2.20 C1=NC=C2NCCNC2=N1 CNP0082872.0 [0,1,0,1,0,0|2,0,0]=4 702 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,1,0,1,0,0|2,0,0]=4 703 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,1,0,1,0,0|1,0,0]=3 704 B11R2.106 NC1=NC=NC2=C1CCC2 CNP0358774.0 [0,1,0,1,0,0|1,0,0]=3 705 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,1,0,1,0,0|1,0,0]=3 706 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,1,0,1,0,0|1,0,1]=4 707 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,1,0,1,0,0|1,0,1]=4 708 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,1,0,1,0,0|1,0,1]=4 709 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,1,0,1,0,0|1,0,1]=4 710 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,1,0,1,0,0|1,0,1]=4 711 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,1,0,1,0,0|1,0,1]=4 712 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,1,0,1,0,0|1,0,1]=4 713 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,1,0,1,0,0|1,0,0]=3 714 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,1,0,1,0,0|1,0,1]=4 715 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,1,0,1,0,0|1,0,0]=3 716 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,1,0,1,0,0|2,0,0]=4 717 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|1,0,1]=4 718 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,1,0,1,0,0|1,0,0]=3 719 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,1,0,1,0,0|1,0,0]=3 720 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,1,0,1,0,0|1,0,0]=3 721 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,1,0,1,0,0|1,0,0]=3 722 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,1,0,1,0,0|1,0,0]=3 723 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,1,0,1,0,0|1,0,0]=3 724 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,0]=3 726 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,0]=3 727 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,0]=3 728 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,0]=3 729 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|1,0,0]=3 730 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|1,0,0]=3 731 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|1,0,1]=4 732 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 733 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|1,0,1]=4 734 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 735 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|2,0,0]=4 736 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|2,0,0]=4 737 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|2,0,0]=4 738 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|2,0,0]=4 739 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,1,0|2,0,0]=4 740 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,1,0|2,0,0]=4