0 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.125 O=C(O)/C=C/C1=CC=CC[C@@H]1O CNP0190830.1 [0,0,0,0,0,0|0,0,2]=2 9 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,0,0,0,0,0|0,0,0]=0 11 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,0,0,0,0,0|0,0,2]=2 12 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [1,0,0,0,0,0|0,0,3]=4 17 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|0,0,2]=3 31 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|0,0,0]=1 32 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [1,0,0,0,0,0|0,0,2]=3 34 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|0,0,2]=3 35 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|1,0,1]=3 38 B13R1.90 COC1=CC=CC=C1C=CC(=O)O CNP0180961.0 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.90 COC1=CC=CC=C1CCC(=O)N CNP0602368.0 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.90 COC1=CC=CC=C1CCC(=O)O CNP0307963.0 [0,1,0,0,0,0|0,0,2]=3 41 B13R1.90 COC1=CC=CC=C1OCC(=O)O CNP0575814.0 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.90 N#CC1=CC=CC=C1C=CC(=O)O CNP0133457.0 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O CNP0437828.0 [0,1,0,0,0,0|1,0,2]=4 44 B13R1.150 O=C(O)C=CC1=CC=CC(=C1O)O CNP0316964.0 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.150 O=C(O)C=CC1=CC=CC(C1O)O CNP0055682.0 [0,1,0,0,0,0|0,0,2]=3 46 B13R1.164 CC(=CCC1=CC=C(C=C1O)O)C CNP0130850.0 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)O CNP0075799.0 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.164 O=C(O)C=CC1=CC=C(C=C1O)O CNP0192872.0 [0,1,0,0,0,0|0,0,0]=1 50 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,1,0,0,0,0|0,0,2]=3 51 B13R1.164 O=C(O)COC1=CC=C(C=C1Cl)Cl CNP0341289.0 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.201 CC1=CC=CC=C1C(=C[N+](=O)[O-])O CNP0601794.0 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.201 CC1=CC=CC=C1C(=O)CC(=O)N CNP0141279.0 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.201 NC1=CC=CC=C1C(=O)CC(=O)O CNP0081989.0 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,1,0,0,0,0|0,0,2]=3 56 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.2 [0,1,0,0,0,0|0,0,2]=3 57 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.1 [0,1,0,0,0,0|0,0,2]=3 58 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,1,0,0,0,0|0,0,1]=2 59 B13R1.202 O=C(O)[C@@H](O)CC1=CC=CC=C1O CNP0312598.1 [0,1,0,0,0,0|0,0,2]=3 60 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.893 CC(=CCC1=CC(=CC=C1O)O)C CNP0110617.0 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.893 O=C(O)C=CC1=CC(=CC=C1O)O CNP0110380.0 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.893 O=[N+]([O-])C=CC1=CC(=CC=C1O)Cl CNP0554419.0 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C CNP0491445.0 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.3787 O=C(O)C=CC1=C(C=CC=C1Cl)Cl CNP0065410.0 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.3787 O=C(O)C=CC1=C(C=CC=C1O)O CNP0153086.0 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.3787 O=C(O)CCC1=C(C=COC1=O)O CNP0444918.0 [0,1,0,0,0,0|1,0,2]=4 68 B13R1.3787 O=C(O)CCC1=C(OC=CC1=O)O CNP0087257.0 [0,1,0,0,0,0|1,0,2]=4 69 B11R0.148 CCC=CCC=CC=CC(=O)O CNP0120995.0 [0,0,1,0,0,0|1,0,2]=4 70 B11R0.148 CCCC=CC=CC=CC(=O)O CNP0201761.0 [0,0,1,0,0,0|1,0,2]=4 71 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,0,0|1,0,2]=4 74 B13R2.222 CC1(C=CC2=CC=CC=C2O1)C CNP0201807.0 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,0,0,1,0,0|2,0,0]=3 76 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CNP0524572.0 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.435 N=C(N)C1=CC2=CC=CC=C2S1 CNP0483277.0 [0,0,0,1,0,0|2,1,0]=4 78 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,0,0,1,0,0|1,0,0]=2 79 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,0,0,1,0,0|0,0,0]=1 80 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,0,0,1,0,0|0,1,0]=2 81 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CNP0500150.0 [0,0,0,1,0,0|2,0,0]=3 82 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,0,0,1,0,0|1,0,2]=4 83 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 CNP0568164.0 [0,0,0,1,0,0|1,1,1]=4 84 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,0,0,1,0,0|1,0,0]=2 87 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [0,0,0,1,0,0|1,0,1]=3 88 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,0,0,1,0,0|0,0,0]=1 89 B13R2.5179 O=C1C=COC2=CC(=CC=C12)O CNP0338956.0 [0,0,0,1,0,0|2,0,1]=4 90 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,0,0,1,0,0|1,0,0]=2 91 B13R2.5179 OC1=CN=C2C(=CC=CC2=C1)O CNP0265313.0 [0,0,0,1,0,0|2,0,0]=3 92 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [0,0,0,1,0,0|2,0,0]=3 93 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,0,0,0,1,0|3,0,0]=4 95 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,0,0,0,1,0|3,0,0]=4 96 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,0,0,0,1,0|1,0,1]=3 101 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,0,0,0,1,0|0,0,1]=2 102 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,0,0,0,1,0|1,0,2]=4 103 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [0,0,0,0,0,1|1,0,2]=4 104 B13R1.158 CC1=CC=CC=C1C=CCC(=O)N CNP0577535.0 [0,0,0,0,0,1|2,0,0]=3 105 B13R1.158 NC(=S)NN=CC1=CC=CC=C1O CNP0114328.0 [0,0,0,0,0,1|2,1,0]=4 106 B13R1.158 O=C(O)CC=CC1=CC=CC=C1O CNP0121004.0 [0,0,0,0,0,1|0,0,0]=1 107 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,0,0,0,0,1|0,0,2]=3 108 B10R0.91 CC(=CC=CC=O)C=CC=O CNP0179578.0 [1,0,1,0,0,0|2,0,0]=4 109 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [1,0,1,0,0,0|1,0,0]=3 110 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [2,0,0,0,0,0|0,0,1]=3 112 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [2,0,0,0,0,0|0,0,2]=4 117 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,0]=2 124 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,2]=4 125 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [2,0,0,0,0,0|0,0,1]=3 129 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [2,0,0,0,0,0|1,1,0]=4 131 B12R0.138 O=C(O)C=CC(=CC(=O)O)C(=O)O CNP0379716.0 [0,1,1,0,0,0|2,0,0]=4 132 B12R0.268 CC(=O)C=CC=C=CC=CC(=O)O CNP0195927.0 [0,1,1,0,0,0|0,0,2]=4 133 B12R0.268 CC(=O)C=CC=CC=CCC(=O)O CNP0503969.0 [0,1,1,0,0,0|0,0,2]=4 134 B12R0.268 CC(=O)C=CC=CCC=CC(=O)O CNP0478637.0 [0,1,1,0,0,0|0,0,2]=4 135 B12R1.121 COC1=CC=CC=C1C=CC#N CNP0211278.0 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,1,0,0,0,0|0,0,2]=4 142 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [1,1,0,0,0,0|0,0,0]=2 146 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [1,1,0,0,0,0|0,0,0]=2 147 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,1,0,0,0,0|0,0,0]=2 148 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [1,1,0,0,0,0|0,0,2]=4 149 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,1,0,0,0,0|0,0,2]=4 150 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.21 OB(O)C=CC1=CC=C(C=C1)Cl CNP0527100.0 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [1,1,0,0,0,0|0,0,0]=2 159 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [1,1,0,0,0,0|0,0,2]=4 161 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [1,1,0,0,0,0|0,0,0]=2 162 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [1,1,0,0,0,0|0,0,2]=4 170 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [1,1,0,0,0,0|0,0,0]=2 173 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [1,1,0,0,0,0|0,0,2]=4 175 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [1,1,0,0,0,0|0,0,0]=2 179 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,1,0,0,0,0|0,0,1]=3 182 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [1,1,0,0,0,0|0,0,2]=4 184 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [1,1,0,0,0,0|0,0,2]=4 187 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [1,1,0,0,0,0|0,0,2]=4 189 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [1,1,0,0,0,0|0,0,2]=4 190 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [1,1,0,0,0,0|0,0,2]=4 195 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,1,0,0,1,0|1,0,1]=4 197 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.124 CC1=CC=CC=C1[C@@H](O)C(=O)O CNP0017568.1 [0,1,0,0,1,0|1,0,1]=4 201 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CNP0082491.0 [0,1,0,0,1,0|1,0,0]=3 202 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.2 [0,1,0,0,1,0|1,0,1]=4 203 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.1 [0,1,0,0,1,0|1,0,1]=4 204 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,1,0,0,1,0|1,0,1]=4 205 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,1,0,0,1,0|0,0,1]=3 207 B12R1.127 O=C1C=CC(=O)C(=C1)CC(=O)O CNP0040825.0 [0,1,0,0,1,0|0,0,2]=4 208 B12R1.151 O=S(=O)(O)OC1=CC=CC=C1O CNP0280584.0 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,1,0,0,1,0|2,0,0]=4 211 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,1,0,0,1,0|0,0,1]=3 212 B12R1.1009 O=C(O)CC1=C(C=CC=C1O)O CNP0135400.0 [0,1,0,0,1,0|0,0,1]=3 213 B12R1.861 O=C(O)C=CC1=CC(=O)CC1O CNP0304480.0 [0,1,0,0,1,0|0,0,2]=4 214 B14R1.96 COC1=CC=CC=C1OCCC(=O)O CNP0557728.0 [0,1,0,0,0,1|0,0,2]=4 215 B14R1.160 CC(=O)ONC(=O)C1=CC=CC=C1O CNP0497326.0 [0,1,0,0,0,1|2,0,0]=4 216 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O CNP0079825.0 [0,1,0,0,0,1|1,0,1]=4 217 B14R1.160 NC1=CC=CC=C1C(=O)CCC(=O)O CNP0495481.0 [0,1,0,0,0,1|1,0,1]=4 218 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1O CNP0137475.0 [0,1,0,0,0,1|0,0,1]=3 219 B14R1.160 O=C(O)CC[C@@H](O)C1=CC=CC=C1O CNP0228657.1 [0,1,0,0,0,1|0,0,2]=4 220 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1I CNP0008975.0 [0,1,0,0,0,1|1,0,1]=4 221 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1O CNP0159089.0 [0,1,0,0,0,1|0,0,1]=3 222 B14R1.161 NC(=O)C(=O)NCC1=CC=CC=C1O CNP0063010.0 [0,1,0,0,0,1|1,0,1]=4 223 B14R1.161 O=C(O)C(=O)C=CC1=CC=CC=C1O CNP0605638.0 [0,1,0,0,0,1|0,0,0]=2 224 B14R1.4464 NC(=O)NN=CC1=CC=C(C=C1O)O CNP0166075.0 [0,1,0,0,0,1|2,0,0]=4 225 B14R1.118 O=C(O)C=CC1=CC=CC(=C1CO)O CNP0491028.0 [0,2,0,0,0,0|0,0,0]=2 226 B14R1.118 O=C(O)CCC1=CC=CC(=C1CO)O CNP0505609.0 [0,2,0,0,0,0|0,0,2]=4 227 B14R1.863 COC(=O)C=CC1=CC=CC=C1OC CNP0229234.0 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.863 COC(=O)CCC1=CC=CC=C1OC CNP0311057.0 [0,2,0,0,0,0|0,0,2]=4 229 B14R1.1600 COC1=CC(=CC=C1CCC(=O)O)O CNP0477229.0 [0,2,0,0,0,0|0,0,2]=4 230 B14R1.1865 COC1=CC=C(C=C1C=CC(=O)O)Br CNP0409055.0 [0,2,0,0,0,0|0,0,0]=2 231 B14R1.1865 COC1=CC=C(C=C1C=CC(=O)O)O CNP0587801.0 [0,2,0,0,0,0|0,0,0]=2 232 B14R1.3135 COC1=CC=CC=C1O[C@@H](C)C(=O)O CNP0486879.2 [0,2,0,0,0,0|1,0,1]=4 233 B14R1.3135 COC1=CC=CC=C1O[C@H](C)C(=O)O CNP0486879.1 [0,2,0,0,0,0|1,0,1]=4 234 B14R1.4522 O=C(O)CNC1=CC=CC=C1C(=O)O CNP0264528.0 [0,2,0,0,0,0|1,0,1]=4 235 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)C CNP0581231.0 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)O CNP0156620.0 [0,2,0,0,0,0|0,0,0]=2 237 B14R1.152 NC(=O)NC(=O)C1=CC=CC(=C1O)O CNP0322380.0 [0,2,0,0,0,0|2,0,0]=4 238 B14R1.153 N[C@@H](CC1=CC=CC(=C1O)O)C(=O)O CNP0355050.1 [0,2,0,0,0,0|0,0,2]=4 239 B14R1.3150 CC(=O)C=CC1=CC(=CC(=C1C)C)C CNP0001511.0 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.6054 CC(=O)C=CC1=C(C=CC(=C1C)C)C CNP0267571.0 [0,2,0,0,0,0|2,0,0]=4 241 B14R1.6059 CC(=O)C=CC1=CC=C(C(=C1C)C)C CNP0175849.0 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.6059 O=C(O)C=CC1=CC=C(C(=C1O)O)O CNP0021879.0 [0,2,0,0,0,0|0,0,0]=2 243 B14R1.6059 O=C(O)CCC1=CC=C(C(=C1O)O)O CNP0274011.0 [0,2,0,0,0,0|0,0,2]=4 244 B14R1.6073 CC(C)(O)C=CC1=CC(=CC=C1O)O CNP0236364.0 [0,2,0,0,0,0|1,0,1]=4 245 B14R1.6073 CC1=CC=C(C(=C1)C=CC(C)(C)O)O CNP0000061.0 [0,2,0,0,0,0|1,0,1]=4 246 B14R1.103 COC1=CC=C(C(=C1)C)C=CC(=O)O CNP0609868.0 [0,2,0,0,0,0|1,0,0]=3 247 B14R1.103 COC1=CC=C(C(=C1)O)C=CC(=O)O CNP0228359.0 [0,2,0,0,0,0|0,0,0]=2 248 B14R1.103 COC1=CC=C(C(=C1)O)CCC(=O)O CNP0271285.0 [0,2,0,0,0,0|0,0,2]=4 249 B14R1.727 COC(=O)C=CC1=CC=C(C=C1O)O CNP0266971.0 [0,2,0,0,0,0|0,0,0]=2 250 B14R1.727 COC(=O)CCC1=CC=C(C=C1O)O CNP0594204.0 [0,2,0,0,0,0|0,0,2]=4 251 B14R1.727 O=C(C=CC1=CC=C(C=C1Cl)Cl)NO CNP0575037.0 [0,2,0,0,0,0|1,0,0]=3 252 B14R1.6036 CC(=O)C=CC1=CC(=C(C=C1Br)O)O CNP0131482.0 [0,2,0,0,0,0|2,0,0]=4 253 B14R1.6036 O=C(O)C=CC1=CC(=C(C=C1O)O)O CNP0134128.0 [0,2,0,0,0,0|0,0,0]=2 254 B14R1.6036 O=C(O)C=CC1=CC(=O)C(=CC1O)O CNP0081895.0 [0,2,0,0,0,0|0,0,1]=3 255 B14R1.6052 CC(=CC(=O)C1=CC(=CC=C1O)C)C CNP0001231.0 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.6052 CC(=CC(=O)C1=CC(=CC=C1O)O)C CNP0147880.0 [0,2,0,0,0,0|2,0,0]=4 257 B14R1.4474 N[C@@H](CC1=CC(=CC=C1O)O)C(=O)O CNP0146679.1 [0,2,0,0,0,0|0,0,2]=4 258 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1C CNP0298915.0 [0,2,0,0,0,0|1,0,0]=3 259 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1N CNP0070575.0 [0,2,0,0,0,0|1,0,0]=3 260 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1O CNP0145722.0 [0,2,0,0,0,0|0,0,0]=2 261 B14R1.598 CCOC(=O)CCC1=CC=CC=C1O CNP0147042.0 [0,2,0,0,0,0|0,0,2]=4 262 B14R1.820 CC(=CCC1=CC(=CC=C1O)O)CO CNP0115673.0 [0,2,0,0,0,0|1,0,1]=4 263 B14R1.820 COC(=O)C=CC1=CC(=CC=C1O)O CNP0327092.0 [0,2,0,0,0,0|0,0,0]=2 264 B14R1.2335 COC1=CC=C(C(=C1)C=CC(=O)O)O CNP0318465.0 [0,2,0,0,0,0|0,0,0]=2 265 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,0,1,1,0,0|2,0,0]=4 266 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,0,1,1,0,0|2,0,0]=4 267 B12R1.1021 CC(=O)C1=CC(=O)C(=CC=C1)O CNP0612012.0 [0,0,1,1,0,0|2,0,0]=4 268 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,0,1,1,0,0|2,0,0]=4 269 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,0,1,1,0,0|0,0,2]=4 270 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,0,1,1,0,0|1,0,1]=4 271 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,0,1,1,0,0|2,0,0]=4 272 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)O CNP0441014.0 [0,0,1,1,0,0|0,0,2]=4 273 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O CNP0265672.0 [0,0,1,1,0,0|1,0,0]=3 274 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O CNP0266365.0 [0,0,1,1,0,0|2,0,0]=4 275 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,1,1,0,0|1,0,1]=4 276 B12R1.28 CC=CC=CC1=CC=CC(=O)O1 CNP0526558.0 [0,0,1,1,0,0|1,0,0]=3 277 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CNP0462154.0 [0,0,1,1,0,0|1,0,1]=4 278 B12R1.283 CC=CC1=CC=CC=C1C(=O)O CNP0476960.0 [0,0,1,1,0,0|1,0,0]=3 279 B12R1.283 O=CNC1=CC=CC=C1C(=O)O CNP0131461.0 [0,0,1,1,0,0|1,0,1]=4 280 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,0,1,1,0,0|1,0,1]=4 281 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [1,0,0,1,0,0|2,0,0]=4 282 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [1,0,0,1,0,0|2,0,0]=4 283 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,0,0,1,0,0|1,0,0]=3 287 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [1,0,0,1,0,0|1,0,0]=3 288 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [1,0,0,1,0,0|0,0,0]=2 289 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [1,0,0,1,0,0|0,0,2]=4 290 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [1,0,0,1,0,0|1,0,1]=4 291 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [1,0,0,1,0,0|2,0,0]=4 292 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [1,0,0,1,0,0|1,0,0]=3 293 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [1,0,0,1,0,0|1,0,0]=3 294 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [1,0,0,1,0,0|2,0,0]=4 295 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [1,0,0,1,0,0|1,1,0]=4 297 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [1,0,0,1,0,0|2,0,0]=4 298 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [1,0,0,1,0,0|0,0,0]=2 299 B12R2.41 C1=CC2=CC=CC=C2NN=C1 CNP0558669.0 [1,0,0,1,0,0|2,0,0]=4 300 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [1,0,0,1,0,0|1,0,1]=4 301 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [1,0,0,1,0,0|2,0,0]=4 302 B12R2.1081 CC1=CC=CC2=NC=CC=C12 CNP0205038.0 [1,0,0,1,0,0|2,0,0]=4 303 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [1,0,0,1,0,0|2,0,0]=4 304 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [1,0,0,1,0,0|1,0,0]=3 305 B12R2.1081 OC1=CC=CC2=CC=CN=C12 CNP0302552.0 [1,0,0,1,0,0|2,0,0]=4 306 B12R2.1081 OC1=CC=CC2=CN=CC=C12 CNP0482477.0 [1,0,0,1,0,0|2,0,0]=4 307 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [1,0,0,1,0,0|2,0,0]=4 308 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [1,0,0,1,0,0|2,0,0]=4 309 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [1,0,0,1,0,0|0,0,2]=4 310 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [1,0,0,1,0,0|0,0,2]=4 311 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,0,0,1,1,0|0,0,1]=3 312 B12R2.202 O=C1NC2=C(C=CC=C2O1)O CNP0492903.0 [0,0,0,1,1,0|1,0,0]=3 313 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 CNP0193884.0 [0,0,0,1,1,0|2,0,0]=4 314 B14R2.768 NC(=O)CC1=CC2=CC=CC=C2N1 CNP0484959.0 [0,0,0,1,0,1|2,0,0]=4 315 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 CNP0583144.0 [0,0,0,1,0,1|1,0,0]=3 316 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0163282.0 [0,0,0,1,0,1|2,0,0]=4 317 B14R2.781 NC(=O)C1=CN=C2C=CC=CC2=C1 CNP0181073.0 [0,0,0,1,0,1|2,0,0]=4 318 B14R2.781 NC(=O)C1=CN=C2C=CC=CC2=N1 CNP0040211.0 [0,0,0,1,0,1|2,0,0]=4 319 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CNP0256854.0 [0,0,0,1,0,1|1,0,1]=4 320 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 CNP0083467.0 [0,0,0,1,0,1|1,0,0]=3 321 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 CNP0097420.0 [0,0,0,1,0,1|1,0,0]=3 322 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=C1 CNP0507176.0 [0,0,0,1,0,1|1,0,0]=3 323 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 CNP0212397.0 [0,0,0,1,0,1|1,0,0]=3 324 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 CNP0513879.0 [0,0,0,1,0,1|1,0,1]=4 325 B14R2.5672 O=C1C=CC2=CC=CC=C(C2)C=C1 CNP0466307.0 [0,0,0,1,0,1|2,0,0]=4 326 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 CNP0284198.0 [0,1,0,1,0,0|1,0,1]=4 327 B14R2.450 CC(=O)C1=C(C2=CC=CC=C2N1)C CNP0128213.0 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CNP0353602.0 [0,1,0,1,0,0|1,0,0]=3 329 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O CNP0476209.0 [0,1,0,1,0,0|0,0,0]=2 330 B14R2.450 CN1C(=CC2=CC=CC=C12)C(=O)O CNP0075697.0 [0,1,0,1,0,0|1,0,0]=3 331 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)O2 CNP0275397.0 [0,1,0,1,0,0|0,0,0]=2 332 B14R2.5632 O=C1C=CC2=CC=CC(=C2CO1)O CNP0282456.0 [0,1,0,1,0,0|1,0,0]=3 333 B14R2.8039 CC1(C=CC2=C(C=CC=C2O1)O)C CNP0001269.0 [0,1,0,1,0,0|1,0,1]=4 334 B14R2.4529 C=C(C)C1=CC2=CC=C(C=C2O1)O CNP0526112.0 [0,1,0,1,0,0|2,0,0]=4 335 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)Cl CNP0340466.0 [0,1,0,1,0,0|1,0,0]=3 336 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)O CNP0609129.0 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2O1)Br CNP0463700.0 [0,1,0,1,0,0|0,0,0]=2 338 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CNP0575573.0 [0,1,0,1,0,0|1,0,0]=3 339 B14R2.29365 O=C1C=C(C2=CC=C(C=C2O1)O)O CNP0322727.0 [0,1,0,1,0,0|2,0,0]=4 340 B14R2.29365 O=C1C=CC2=C(C=C(C=C2O1)O)O CNP0302708.0 [0,1,0,1,0,0|0,0,0]=2 341 B14R2.29365 OC1=CC=C2C(=CC(=CC2=C1)O)O CNP0114435.0 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.28480 CC1=CC(=C2C(=CC=CC2=C1)O)O CNP0122675.0 [0,1,0,1,0,0|2,0,0]=4 343 B14R2.28480 CC1=CC(=O)C2=C(C=CC=C2O1)C CNP0202455.0 [0,1,0,1,0,0|2,0,0]=4 344 B14R2.28480 CC1=CC(=O)C2=C(C=CC=C2O1)O CNP0237764.0 [0,1,0,1,0,0|1,0,0]=3 345 B14R2.28480 CC1=CC(=O)OC2=CC=CC(=C12)O CNP0145645.0 [0,1,0,1,0,0|0,0,0]=2 346 B14R2.28480 CC1=CC=CC2=C1C(=CC(=O)O2)O CNP0152125.0 [0,1,0,1,0,0|1,0,0]=3 347 B14R2.28480 CC1=CC=CC2=C1C(=O)C=C(O2)O CNP0564272.0 [0,1,0,1,0,0|1,0,1]=4 348 B14R2.28480 OC1=CC(=C2C(=CC=CC2=C1)O)O CNP0096816.0 [0,1,0,1,0,0|1,0,0]=3 349 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O CNP0042113.0 [0,1,0,1,0,0|2,0,0]=4 350 B14R2.741 O=C1N=NC2=CC=CC=C2C=C1O CNP0545745.0 [0,1,0,1,0,0|2,0,0]=4 351 B14R2.972 CNC(=O)C1=CC2=CC=CC=C2N1 CNP0429248.0 [0,1,0,1,0,0|2,0,0]=4 352 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 CNP0358811.0 [0,1,0,1,0,0|2,0,0]=4 353 B14R2.1801 O=CC1=CC=C2C(=CC=CC2=C1)Br CNP0460613.0 [0,1,0,1,0,0|2,0,0]=4 354 B14R2.4493 OC1=CC=C2OC(C=CC2=C1)(O)O CNP0192564.0 [0,1,0,1,0,0|0,0,2]=4 355 B14R2.8751 CC1=CC=C(C2=C1C=CC(=O)O2)N CNP0365303.0 [0,1,0,1,0,0|1,0,0]=3 356 B14R2.8751 CC1=CC=C(C2=C1C=CC(=O)O2)O CNP0506877.0 [0,1,0,1,0,0|1,0,0]=3 357 B14R2.8751 O=C1C=CC2=C(C=CC(=C2O1)O)O CNP0254075.0 [0,1,0,1,0,0|0,0,0]=2 358 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,1,0|2,0,0]=4 359 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,1,0|2,0,0]=4 360 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,1,0|1,0,1]=4 361 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,1,0|2,0,0]=4 362 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,1,0|2,0,0]=4 363 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,1,0|1,0,1]=4 364 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,1,0|2,0,0]=4 365 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,1,0|1,0,1]=4 366 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,1,0|1,0,1]=4 367 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,1,0|0,0,1]=3 368 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,1,0|1,0,1]=4 369 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,1,0|1,0,1]=4 370 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [1,0,0,0,1,0|2,0,0]=4 371 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [1,0,0,0,1,0|2,0,0]=4 372 B10R1.66 NC(=O)C=CC1=CNC=C1 CNP0558804.0 [1,0,0,0,1,0|2,0,0]=4 373 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [1,0,0,0,1,0|1,0,0]=3 374 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [1,0,0,0,1,0|2,0,0]=4 375 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [1,0,0,0,1,0|1,0,0]=3 376 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [1,0,0,0,1,0|2,0,0]=4 377 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,0,0,2,0|2,0,0]=4 378 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,0,0,0,2,0|2,0,0]=4 379 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,0,0,2,0|1,0,0]=3 380 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,0,0,0,2,0|2,0,0]=4 381 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,0,0,0,2,0|1,0,0]=3 382 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,0,0,0,2,0|2,0,0]=4 383 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,0,0,0,2,0|2,0,0]=4 384 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,0,0,0,2,0|2,0,0]=4 385 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,0,0,0,2,0|2,0,0]=4 386 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,0,0,0,2,0|1,0,0]=3 387 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,0,0,0,2,0|2,0,0]=4 388 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,0,0,0,2,0|1,0,0]=3 389 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,0,0,0,2,0|1,0,0]=3 390 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,0,0,0,2,0|0,0,0]=2 391 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,0,0,0,2,0|0,1,0]=3 392 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,0,0,0,2,0|0,0,1]=3 393 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,0,0,0,2,0|0,0,1]=3 394 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,0,0,0,2,0|1,0,1]=4 395 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,0,0,0,2,0|2,0,0]=4 396 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,0,0,0,2,0|1,0,0]=3 397 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,0,0,0,2,0|1,0,0]=3 398 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,0,0,0,2,0|1,0,1]=4 399 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,0,0,0,2,0|1,0,0]=3 400 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,0,0,0,2,0|0,0,1]=3 401 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,0,0,0,2,0|0,0,1]=3 402 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,0,0,0,2,0|0,0,1]=3 403 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,0,0,0,2,0|0,1,1]=4 404 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,0,0,0,2,0|1,0,1]=4 405 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,0,0,0,2,0|1,0,0]=3 406 B14R1.159 CC(=O)OCC=CC1=CC=CC=C1O CNP0108630.0 [0,0,0,0,0,2|1,0,0]=3 407 B14R1.159 CC1=CC=CC=C1C=CCCC(=O)O CNP0322810.0 [0,0,0,0,0,2|1,0,0]=3 408 B14R1.159 O=C(O)CCCCC1=CC=CC=C1O CNP0211877.0 [0,0,0,0,0,2|0,0,2]=4