0 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,0,0,0,0,0|1,0,1]=2 23 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,0,0,0,0,0|0,0,0]=0 25 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [0,0,0,0,0,0|1,0,1]=2 29 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,0,0,0,0,0|0,0,2]=2 30 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,0,0,0,0,0|1,0,1]=2 32 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [0,0,0,0,0,0|1,1,1]=3 33 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,0,0,0,0,0|0,1,1]=2 34 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,0,0,0,0,0|2,1,1]=4 35 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|0,0,2]=3 37 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|0,0,1]=2 38 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [1,0,0,0,0,0|0,0,3]=4 41 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|0,0,1]=2 43 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|0,0,0]=1 63 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,0,0,0|0,0,2]=3 65 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|1,0,0]=2 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|0,0,1]=2 69 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,0,0,0|0,0,3]=4 70 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|0,1,0]=2 73 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|0,1,0]=2 74 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|1,1,0]=3 75 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|1,1,0]=3 76 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|2,1,0]=4 77 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|0,0,1]=2 78 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|0,0,1]=2 79 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,1,0,0,0,0|0,0,0]=1 84 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.1 N#CNC1=CC=C(C=C1)Cl CNP0231069.0 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [0,1,0,0,0,0|1,0,1]=3 99 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,1,0,0,0,0|0,0,0]=1 101 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,1,0,0,0,0|0,0,2]=3 102 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [0,1,0,0,0,0|1,0,2]=4 103 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [0,1,0,0,0,0|1,0,2]=4 104 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,1,0,0,0,0|1,0,1]=3 114 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.4 N#CC[N+]1=CC=CC=C1Br CNP0534465.0 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,1,0,0,0,0|0,0,2]=3 125 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,1,0,0,0,0|1,0,2]=4 126 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,1,0,0,0,0|1,0,2]=4 127 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,1,0,0,0,0|0,0,2]=3 140 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,1,0,0,0,0|0,0,1]=2 143 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,1,0,0,0,0|1,0,2]=4 149 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|0,0,2]=3 165 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,1,0,0,0,0|1,0,2]=4 168 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,1,0,0,0,0|1,0,1]=3 169 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,1,0,0,0,0|1,0,1]=3 170 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,1,0,0,0,0|1,0,2]=4 171 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|1,0,1]=3 174 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,0|1,0,2]=4 176 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,0|0,0,3]=4 177 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,1,0,0,0,0|0,0,1]=2 179 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,1,0,0,0,0|0,0,0]=1 180 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,1,0,0,0,0|0,0,2]=3 181 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|0,0,2]=3 182 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|0,0,2]=3 183 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|1,0,1]=3 185 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,1,0,0,0,0|1,0,2]=4 190 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,1,0,0,0,0|1,0,1]=3 198 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,1,0,0,0,0|0,0,2]=3 201 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,1,0,0,0,0|0,1,1]=3 204 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,1,0,0,0,0|1,1,0]=3 205 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,1,0,0,0,0|1,0,1]=3 206 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,1,0,0,0,0|1,0,1]=3 207 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,1,0,0,0,0|1,0,1]=3 212 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,1,0,0,0,0|0,0,1]=2 213 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,1,0,0,0,0|0,0,1]=2 214 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,1,0,0,0,0|0,0,0]=1 215 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,1,0,0,0,0|0,0,0]=1 216 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,1,0,0,0,0|0,0,0]=1 218 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,1,0,0,0,0|0,0,3]=4 219 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,1,0,0,0,0|0,0,2]=3 220 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,1,0,0,0,0|0,0,2]=3 221 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,1,0,0,0,0|0,0,2]=3 222 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,1,0,0,0,0|0,0,2]=3 223 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,1,0,0,0,0|0,0,1]=2 224 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,1,0,0,0,0|0,1,1]=3 225 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,1,0,0,0,0|0,1,1]=3 226 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,1,0,0,0,0|0,1,0]=2 227 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,1,0,0,0,0|0,0,0]=1 232 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,1,0,0,0,0|1,1,0]=3 237 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,1,0,0,0,0|1,0,1]=3 245 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.18 N=C(N)NC1=CC=CN=C1 CNP0217944.0 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,1,0,0,0,0|1,1,0]=3 250 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,1,0,0,0,0|0,0,0]=1 251 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,1,0,0,0,0|1,1,0]=3 254 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,1,0,0,0,0|1,1,0]=3 255 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,1,0,0,0,0|0,0,0]=1 256 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,1,0,0,0,0|0,0,0]=1 257 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,1,0,0,0,0|0,0,0]=1 258 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,1,0,0,0,0|0,0,0]=1 260 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,0,1,0,0,0|0,0,2]=3 261 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,1,0,0,0|2,0,1]=4 262 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [0,0,1,0,0,0|2,0,0]=3 263 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|0,0,2]=3 264 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|0,0,2]=3 265 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [0,0,0,1,0,0|2,0,1]=4 266 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,0|2,0,1]=4 267 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [0,0,0,1,0,0|1,1,1]=4 268 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,0,0,1,0,0|1,0,0]=2 269 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [0,0,0,1,0,0|1,0,1]=3 270 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [0,0,0,1,0,0|2,0,1]=4 271 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [0,0,0,1,0,0|2,0,1]=4 272 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [0,0,0,1,0,0|2,0,1]=4 273 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [0,0,0,1,0,0|2,0,1]=4 274 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,0,0,1,0,0|2,0,0]=3 275 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,0,0,1,0,0|3,0,0]=4 276 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,0|1,0,1]=3 277 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,0,0,1,0,0|2,0,0]=3 278 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [0,0,0,1,0,0|1,0,1]=3 279 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [0,0,0,1,0,0|2,0,0]=3 280 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,0,0,1,0,0|1,0,1]=3 281 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [0,0,0,1,0,0|2,0,1]=4 282 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,0,0,1,0,0|0,0,2]=3 283 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [0,0,0,1,0,0|1,0,1]=3 284 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,0|0,0,2]=3 285 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,0,0,1,0,0|1,0,2]=4 286 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [0,0,0,1,0,0|0,1,1]=3 287 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [0,0,0,1,0,0|1,1,0]=3 288 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,0,0,1,0,0|1,1,1]=4 289 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [0,0,0,1,0,0|1,1,1]=4 290 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,0|2,0,1]=4 291 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [0,0,0,1,0,0|2,0,1]=4 292 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,0,0,1,0,0|1,0,0]=2 293 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|1,0,1]=3 294 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|1,0,1]=3 295 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|1,0,1]=3 296 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|1,0,1]=3 297 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|1,0,1]=3 298 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|1,0,1]=3 299 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|0,0,0]=1 300 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|0,0,2]=3 301 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|0,0,2]=3 302 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,0,0,0,1,0|2,0,0]=3 303 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,0,0,0,1,0|2,0,0]=3 304 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,0,0,1,0|2,0,1]=4 305 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,0,1,0|2,0,1]=4 306 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,0,1,0|2,0,1]=4 307 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,0,1,0|2,0,1]=4 308 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,0,1,0|3,0,0]=4 309 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,0,1,0|3,0,0]=4 310 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,0,0,0,1,0|2,0,1]=4 311 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,0,0,0,1,0|1,0,0]=2 312 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,0,0,0,1,0|2,0,0]=3 313 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,0,0,0,1,0|2,0,0]=3 314 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,0,0,0,1,0|0,0,3]=4 315 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,0,1,0|1,0,2]=4 316 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,0,0,0,1,0|1,0,2]=4 317 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|0,0,1]=3 318 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|0,0,2]=4 322 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|1,0,0]=3 323 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,0,1]=4 324 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 325 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,1]=3 326 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,0]=2 327 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 328 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 329 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 330 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,0]=3 331 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|0,0,2]=4 333 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 335 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 336 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,0]=3 337 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 339 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 340 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 343 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 344 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,1]=3 348 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,0]=3 349 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,0]=3 350 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,0]=3 352 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,0]=3 353 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,1]=3 355 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,1]=4 358 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 359 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 360 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,1,1,0,0,0|0,0,2]=4 361 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,1,1,0,0,0|0,0,2]=4 362 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,1,1,0,0,0|1,0,1]=4 363 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,1,1,0,0,0|0,0,2]=4 364 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|0,0,1]=3 365 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|0,0,1]=3 366 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|0,0,0]=2 368 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|0,0,1]=3 369 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|0,0,1]=3 372 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|0,0,1]=3 373 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|0,0,1]=3 374 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|0,0,1]=3 375 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|1,0,1]=4 376 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,1,0,0,0,0|1,0,1]=4 385 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|0,0,0]=2 388 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|0,0,0]=2 390 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|0,0,1]=3 395 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|0,0,1]=3 396 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|0,0,0]=2 400 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|0,0,1]=3 405 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|0,0,1]=3 406 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|0,0,0]=2 418 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|0,0,0]=2 419 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|0,0,1]=3 420 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|0,0,1]=3 421 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,1,0,0,0,0|0,0,1]=3 422 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,1,0,0,0,0|0,0,0]=2 424 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|0,0,1]=3 429 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|0,0,1]=3 432 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|0,0,1]=3 433 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|0,0,1]=3 434 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|0,0,1]=3 435 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,1,0,0,0,0|1,0,1]=4 436 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,1,0,0,0,0|1,1,0]=4 438 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,1,0,0,0,0|0,0,0]=2 439 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,1,0,0,0,0|1,1,0]=4 444 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,1,0,0,0,0|0,0,0]=2 448 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,1,0,0,0,0|0,0,0]=2 453 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,1,0,0,0,0|0,0,0]=2 454 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,1,0,0,0,0|0,0,0]=2 455 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,1,0,0,0,0|0,0,0]=2 456 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|0,0,1]=3 465 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|0,0,1]=3 466 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|0,0,0]=2 468 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|0,0,1]=3 470 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|0,0,1]=3 474 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|0,0,1]=3 475 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|0,0,1]=3 476 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|0,0,1]=3 477 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|0,0,1]=3 478 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|0,0,0]=2 486 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|0,0,1]=3 487 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|0,0,0]=2 491 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|0,0,0]=2 492 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|0,0,1]=3 494 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|0,1,0]=3 495 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [0,1,0,0,1,0|2,0,0]=4 497 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [0,1,0,0,1,0|1,0,1]=4 498 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,1,0,0,1,0|1,0,1]=4 499 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,1,0,0,1,0|1,0,0]=3 500 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,1,0,0,1,0|1,0,0]=3 501 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,1,0,0,1,0|1,0,0]=3 502 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,1,0,0,1,0|1,0,0]=3 503 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,1,0,0,1,0|2,0,0]=4 504 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,1,0,0,1,0|1,0,0]=3 505 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,1,0,0,1,0|2,0,0]=4 506 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,1,0,0,1,0|2,0,0]=4 507 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,1,0,0,1,0|1,0,0]=3 508 B9R1.13 O=C(O)CN1C=CN=C1 CNP0251391.0 [0,1,0,0,1,0|2,0,0]=4 509 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,2,0,0,0,0|0,0,1]=3 511 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,2,0,0,0,0|1,0,1]=4 514 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,2,0,0,0,0|1,0,1]=4 516 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,2,0,0,0,0|1,0,1]=4 518 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,2,0,0,0,0|1,0,1]=4 519 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,2,0,0,0,0|1,0,1]=4 520 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,2,0,0,0,0|0,0,1]=3 522 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,2,0,0,0,0|0,0,0]=2 523 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,2,0,0,0,0|0,1,1]=4 524 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,2,0,0,0,0|0,0,2]=4 525 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,2,0,0,0,0|0,0,2]=4 526 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,2,0,0,0,0|0,0,2]=4 527 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,2,0,0,0,0|0,0,1]=3 528 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,2,0,0,0,0|0,0,0]=2 530 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,2,0,0,0,0|0,0,0]=2 531 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,2,0,0,0,0|1,0,1]=4 543 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,2,0,0,0,0|0,0,0]=2 545 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,2,0,0,0,0|1,1,0]=4 548 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,2,0,0,0,0|0,0,0]=2 549 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,2,0,0,0,0|0,0,0]=2 553 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,2,0,0,0,0|0,0,1]=3 554 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,2,0,0,0,0|0,0,0]=2 557 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,2,0,0,0,0|0,0,2]=4 558 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|1,0,1]=4 560 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,2,0,0,0,0|1,0,1]=4 563 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,2,0,0,0,0|1,0,1]=4 564 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,2,0,0,0,0|1,0,1]=4 565 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,2,0,0,0,0|1,0,1]=4 566 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,2,0,0,0,0|0,0,1]=3 567 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,2,0,0,0,0|0,0,2]=4 568 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,2,0,0,0,0|0,0,2]=4 569 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,2,0,0,0,0|1,0,1]=4 572 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|0,0,2]=4 577 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,2,0,0,0,0|1,0,1]=4 583 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,2,0,0,0,0|0,0,2]=4 584 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,2,0,0,0,0|0,0,0]=2 586 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,2,0,0,0,0|1,0,1]=4 591 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [0,2,0,0,0,0|1,0,1]=4 594 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [0,2,0,0,0,0|1,0,1]=4 598 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [0,2,0,0,0,0|1,0,1]=4 599 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [0,2,0,0,0,0|0,0,0]=2 600 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [0,2,0,0,0,0|0,0,2]=4 601 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,2,0,0,0,0|0,0,2]=4 602 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,2,0,0,0,0|0,0,2]=4 603 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.13 CC1=C(C=CC=C1OC=O)N CNP0257117.0 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.13 CC1=CC=CC(=C1N)OC=O CNP0301878.0 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,2,0,0,0,0|0,0,0]=2 611 B11R1.17 CC1=CC=CC=C1CSC#N CNP0032875.0 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,2,0,0,0,0|1,0,1]=4 613 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,2,0,0,0,0|1,0,1]=4 614 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,2,0,0,0,0|0,0,1]=3 618 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,2,0,0,0,0|0,0,2]=4 619 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,2,0,0,0,0|0,0,2]=4 620 B11R1.41 O=CCC1=CC=CC=C1N=O CNP0200074.0 [0,2,0,0,0,0|0,0,0]=2 621 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,2,0,0,0,0|0,0,0]=2 633 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,2,0,0,0,0|0,0,0]=2 634 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,2,0,0,0,0|1,0,1]=4 637 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,2,0,0,0,0|1,0,1]=4 638 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,2,0,0,0,0|1,0,1]=4 641 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,2,0,0,0,0|1,0,1]=4 642 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.24 C=C=CCC1=CC(=O)OC=C1 CNP0150565.0 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,2,0,0,0,0|1,0,1]=4 645 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [0,2,0,0,0,0|1,0,1]=4 646 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [0,2,0,0,0,0|0,0,2]=4 647 B11R1.34 CCCC1=CC(=CC(=C1)O)O CNP0332019.0 [0,2,0,0,0,0|1,0,1]=4 648 B11R1.34 COCC1=CC(=CC(=C1)O)O CNP0149921.0 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,2,0,0,0,0|0,0,0]=2 657 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,2,0,0,0,0|0,0,0]=2 658 B11R1.189 COC1=CC=CC(=C1)CC#N CNP0143135.0 [0,2,0,0,0,0|1,0,1]=4 659 B11R1.189 COC1=CC=CC(=C1)CCO CNP0066003.0 [0,2,0,0,0,0|0,0,2]=4 660 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [0,2,0,0,0,0|0,0,2]=4 662 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [0,2,0,0,0,0|0,0,2]=4 664 B11R1.7 C[C@@](N)(CN)C1=CC=CC=C1 CNP0275184.1 [0,2,0,0,0,0|1,0,1]=4 665 B11R1.7 C[C@](N)(C#N)C1=CC=CC=C1 CNP0276998.1 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,2,0,0,0,0|0,0,1]=3 667 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,2,0,0,0,0|1,0,1]=4 670 B11R1.12 N#CC(=CCl)C1=CC=CC=C1 CNP0261686.0 [0,2,0,0,0,0|1,0,1]=4 671 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,2,0,0,0,0|0,0,0]=2 675 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,2,0,0,0,0|0,0,0]=2 676 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,2,0,0,0,0|0,1,1]=4 685 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,2,0,0,0,0|0,1,1]=4 686 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,2,0,0,0,0|0,0,1]=3 688 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,2,0,0,0,0|0,0,1]=3 689 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,2,0,0,0,0|0,0,2]=4 690 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,2,0,0,0,0|0,0,2]=4 691 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,2,0,0,0,0|0,0,1]=3 694 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,2,0,0,0,0|1,0,1]=4 695 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,2,0,0,0,0|1,0,1]=4 696 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,2,0,0,0,0|0,0,0]=2 697 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,2,0,0,0,0|0,0,2]=4 700 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,2,0,0,0,0|0,0,2]=4 701 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,2,0,0,0,0|0,0,0]=2 702 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,2,0,0,0,0|0,0,2]=4 706 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,2,0,0,0,0|0,0,2]=4 707 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,2,0,0,0,0|0,0,1]=3 708 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,2,0,0,0,0|0,0,0]=2 709 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,2,0,0,0,0|0,0,0]=2 710 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,2,0,0,0,0|0,0,0]=2 711 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,2,0,0,0,0|0,0,0]=2 712 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,2,0,0,0,0|0,0,0]=2 714 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,2,0,0,0,0|0,0,1]=3 716 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,2,0,0,0,0|0,0,1]=3 717 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,2,0,0,0,0|0,0,0]=2 718 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,2,0,0,0,0|0,0,0]=2 719 B11R1.28 C#CC#CCC1=CC=CC=C1 CNP0119313.0 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,2,0,0,0,0|1,0,1]=4 726 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,2,0,0,0,0|0,0,2]=4 731 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,2,0,0,0,0|0,0,2]=4 733 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,2,0,0,0,0|0,0,0]=2 735 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,2,0,0,0,0|0,0,0]=2 736 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [0,2,0,0,0,0|0,0,2]=4 737 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,2,0,0,0,0|0,0,2]=4 738 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,2,0,0,0,0|0,0,2]=4 739 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,2,0,0,0,0|0,0,1]=3 740 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,2,0,0,0,0|0,1,1]=4 741 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,2,0,0,0,0|0,1,0]=3 742 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,2,0,0,0,0|0,0,1]=3 743 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,2,0,0,0,0|0,0,0]=2 745 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,2,0,0,0,0|0,0,0]=2 750 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,2,0,0,0,0|1,0,1]=4 752 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,2,0,0,0,0|0,0,0]=2 753 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,2,0,0,0,0|0,0,0]=2 755 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,2,0,0,0,0|0,0,0]=2 756 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,2,0,0,0,0|0,0,2]=4 757 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,2,0,0,0,0|0,0,0]=2 758 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,2,0,0,0,0|0,0,0]=2 759 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,2,0,0,0,0|0,0,0]=2 760 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,2,0,0,0,0|0,0,0]=2 761 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,2,0,0,0,0|0,0,2]=4 764 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,2,0,0,0,0|0,0,2]=4 765 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,2,0,0,0,0|0,0,0]=2 766 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,2,0,0,0,0|0,0,1]=3 768 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,2,0,0,0,0|0,0,2]=4 769 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,2,0,0,0,0|0,0,2]=4 770 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,2,0,0,0,0|0,0,1]=3 771 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,2,0,0,0,0|0,0,1]=3 773 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,2,0,0,0,0|0,0,0]=2 774 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,2,0,0,0,0|0,0,0]=2 775 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,2,0,0,0,0|1,0,1]=4 777 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,2,0,0,0,0|0,0,2]=4 778 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,2,0,0,0,0|0,0,2]=4 781 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,2,0,0,0,0|0,0,1]=3 782 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,2,0,0,0,0|0,0,0]=2 783 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,2,0,0,0,0|0,0,0]=2 784 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,2,0,0,0,0|0,0,0]=2 785 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,2,0,0,0,0|0,1,0]=3 787 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,2,0,0,0,0|0,0,1]=3 788 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,2,0,0,0,0|0,0,0]=2 789 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,2,0,0,0,0|0,0,1]=3 790 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,2,0,0,0,0|0,0,1]=3 791 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,2,0,0,0,0|0,0,0]=2 793 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,2,0,0,0,0|0,0,0]=2 794 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,2,0,0,0,0|0,0,0]=2 795 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,2,0,0,0,0|0,0,0]=2 796 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,2,0,0,0,0|0,0,1]=3 797 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,2,0,0,0,0|0,0,2]=4 798 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,2,0,0,0,0|0,0,2]=4 800 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,2,0,0,0,0|2,0,0]=4 806 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,1,1,0,0|1,0,1]=4 807 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|1,0,1]=4 808 B9R1.103 C1=CC=CSC=CC=C1 CNP0542373.0 [0,0,1,1,0,0|0,1,1]=4 809 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|0,0,1]=3 810 B11R2.18 C1=CC=C2C=CC=C2C=C1 CNP0110921.0 [0,0,0,1,0,1|1,0,1]=4 811 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,1,0,1,0,0|1,0,1]=4 812 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,1,0,1,0,0|1,0,0]=3 813 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [0,1,0,1,0,0|1,0,1]=4 814 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,1,0,1,0,0|1,0,1]=4 815 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,1,0,1,0,0|1,0,1]=4 816 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,1,0,1,0,0|2,0,0]=4 817 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,1,0,1,0,0|1,0,1]=4 818 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,1,0,1,0,0|0,0,2]=4 819 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,1,0,1,0,0|1,0,0]=3 820 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|1,0,1]=4 821 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,1,0,1,0,0|1,0,1]=4 822 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|1,0,1]=4 824 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,1,0,1,0,0|0,0,2]=4 825 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|0,0,2]=4 826 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|0,0,0]=2 827 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,1,0,1,0,0|1,0,1]=4 828 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,1,0,1,0,0|0,0,2]=4 829 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,1,0,1,0,0|0,1,1]=4 830 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,1,0,1,0,0|1,0,1]=4 831 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,1,0,1,0,0|1,1,0]=4 832 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,1,0,1,0,0|1,0,1]=4 833 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,1,0,1,0,0|1,0,1]=4 834 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [0,1,0,1,0,0|1,0,1]=4 835 B11R2.10 N=C1NC2=CC=CC=C2N1 CNP0097810.0 [0,1,0,1,0,0|2,0,0]=4 836 B11R2.10 NC1=NC2=CC=CC=C2N1 CNP0568172.0 [0,1,0,1,0,0|2,0,0]=4 837 B11R2.10 NC1=NC2=CC=CC=C2S1 CNP0256238.0 [0,1,0,1,0,0|1,1,0]=4 838 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,1,0,1,0,0|0,0,1]=3 839 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,1,0,1,0,0|1,0,1]=4 840 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,1,0,1,0,0|0,0,2]=4 841 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,1,0,1,0,0|0,0,0]=2 842 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,1,0,1,0,0|0,0,0]=2 843 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,1,0,1,0,0|1,0,0]=3 844 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,1,0,1,0,0|1,0,0]=3 845 B11R2.10 O=C1NC2=CC=CN=C2N1 CNP0001340.0 [0,1,0,1,0,0|2,0,0]=4 846 B11R2.10 O=C1NC2=CC=NC=C2N1 CNP0001335.0 [0,1,0,1,0,0|2,0,0]=4 847 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,1,0,1,0,0|0,0,1]=3 848 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,1,0,1,0,0|1,0,1]=4 849 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,1,0,1,0,0|1,0,1]=4 850 B11R2.10 S=C1N=C2C=CC=CC2=N1 CNP0444461.0 [0,1,0,1,0,0|1,1,0]=4 851 B11R2.10 S=C1NC2=CC=CC=C2S1 CNP0144165.0 [0,1,0,1,0,0|1,1,0]=4 852 B11R2.10 SC1=NC2=CC=CC=C2N1 CNP0475824.0 [0,1,0,1,0,0|1,1,0]=4 853 B11R2.10 SC1=NC2=CC=CC=C2S1 CNP0527049.0 [0,1,0,1,0,0|1,1,0]=4 854 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,1,0,1,0,0|1,0,0]=3 855 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,1,0,1,0,0|1,0,0]=3 856 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,1,0,1,0,0|1,0,0]=3 857 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [0,1,0,1,0,0|1,0,1]=4 858 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [0,1,0,1,0,0|1,0,1]=4 859 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,1,0,1,0,0|1,0,1]=4 860 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,1,0,1,0,0|1,0,1]=4 861 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [0,1,0,1,0,0|1,0,1]=4 862 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [0,1,0,1,0,0|1,0,1]=4 863 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [0,1,0,1,0,0|1,0,1]=4 864 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,1,0,1,0,0|1,0,1]=4 865 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,1,0,1,0,0|0,0,2]=4 866 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,1,0,1,0,0|0,0,2]=4 867 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|0,0,0]=2 868 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [0,1,0,1,0,0|1,0,0]=3 869 B11R2.106 CC1=CC=CC2=C1C=CN2 CNP0104005.0 [0,1,0,1,0,0|1,0,1]=4 870 B11R2.106 CC1=CC=CC2=C1C=CO2 CNP0141148.0 [0,1,0,1,0,0|0,0,2]=4 871 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,1,0,1,0,0|1,0,1]=4 872 B11R2.106 CC1=CC=CC2=C1NC=C2 CNP0319116.0 [0,1,0,1,0,0|1,0,1]=4 873 B11R2.106 OC1=CC=CC2=C1C=CN2 CNP0120975.0 [0,1,0,1,0,0|1,0,1]=4 874 B11R2.106 OC1=CC=CC2=C1C=CO2 CNP0278370.0 [0,1,0,1,0,0|0,0,2]=4 875 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,1,0,1,0,0|1,0,1]=4 876 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,1,0,1,0,0|1,0,0]=3 877 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,1,0,1,0,0|1,0,0]=3 878 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,1,0,1,0,0|1,0,1]=4 879 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,1,0,1,0,0|1,0,1]=4 880 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,1,0,1,0,0|0,0,1]=3 881 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|0,0,0]=2 882 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|0,0,0]=2 883 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|0,0,0]=2 884 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,1,0,1,0,0|1,0,1]=4 885 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,1,0,1,0,0|0,1,1]=4 886 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,1,0,1,0,0|1,0,1]=4 887 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,1,0,1,0,0|1,0,1]=4 888 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,1,0,1,0,0|1,0,0]=3 889 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,1,0,1,0,0|1,0,1]=4 890 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,1,0,1,0,0|0,1,1]=4 891 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,1,0,1,0,0|1,0,0]=3 892 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,1,0,1,0,0|1,0,0]=3 893 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,1,0,1,0,0|1,0,1]=4 894 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,1,0,1,0,0|1,0,1]=4 895 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,1,0,1,0,0|1,0,1]=4 896 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,1,0,1,0,0|1,0,0]=3 897 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,1,0,1,0,0|2,0,0]=4 898 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,1,0,1,0,0|1,0,0]=3 899 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,1,0,1,0,0|0,0,1]=3 900 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|0,0,0]=2 901 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,1,0,1,0,0|0,0,0]=2 902 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,1,0,1,0,0|0,0,0]=2 903 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,1,0,1,0,0|0,0,1]=3 904 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,1,0,1,0,0|0,0,0]=2 905 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,1,0,1,0,0|2,0,0]=4 906 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,1,0,1,0,0|2,0,0]=4 907 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,1,0,1,0,0|2,0,0]=4 908 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,1,0,1,0,0|2,0,0]=4 909 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,1,0,1,0,0|1,0,0]=3 910 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,1,0,1,0,0|0,0,0]=2 911 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,1,0,1,0,0|0,0,2]=4 912 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,1,0,1,0,0|0,0,1]=3 913 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,1,0,1,0,0|1,0,1]=4 914 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,1,0,1,0,0|1,0,1]=4 915 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,1,0,1,0,0|1,0,1]=4 916 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,1,0,1,0,0|1,0,1]=4 917 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,1,0,1,0,0|0,0,1]=3 918 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,1,0,0|0,0,0]=2 919 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,1,0,0|0,0,0]=2 920 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,1,0,1,0,0|1,0,1]=4 921 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,1,0,1,0,0|0,0,2]=4 922 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,1,0,1,0,0|0,0,2]=4 923 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,1,0,1,0,0|1,0,1]=4 924 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,1,0|1,0,1]=4 925 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,1,0|1,0,1]=4 926 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,1]=4 927 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,1]=4 928 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,1]=4 929 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,1]=4 930 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|1,0,1]=4 931 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,1,0|1,0,0]=3 932 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,1,0|1,0,0]=3 933 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,1,0|1,0,0]=3 934 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,1,0|1,0,0]=3 935 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,1,0|1,0,0]=3 936 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,1,0|1,0,0]=3 937 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|1,0,1]=4 938 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|1,0,1]=4 939 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|1,0,1]=4 940 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|1,0,1]=4 941 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,1,0|1,1,0]=4 942 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,1,0|1,1,0]=4