0 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,0,0|2,1,0]=3 15 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,0|0,0,2]=2 18 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,0|0,0,2]=2 19 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [0,0,0,0,0,0|0,0,4]=4 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,0|0,0,0]=0 22 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,0|1,0,1]=2 26 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,0|0,0,2]=3 50 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|0,0,0]=1 51 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,0,0,0,0,0|0,0,3]=4 55 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,0,0,0,0|0,0,3]=4 56 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|0,0,1]=2 57 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|1,0,1]=3 59 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,0,0,0,0,0|1,1,1]=4 61 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,0,0,0,0|1,1,1]=4 62 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|1,1,0]=3 63 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,1,0,0,0,0|0,0,2]=3 70 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,0,0|0,0,0]=1 71 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,1,0,0,0,0|0,0,2]=3 81 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,1,0,0,0,0|0,0,2]=3 83 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,0,0,0,0|1,0,2]=4 90 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,1,0,0,0,0|1,0,2]=4 99 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,1,0,0,0,0|1,1,0]=3 101 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,0,0,0,0|0,0,2]=3 104 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,0|0,0,2]=3 106 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,0|1,0,2]=4 107 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,0|0,0,0]=1 112 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,0,0,0,0|0,0,2]=3 120 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,0|0,0,0]=1 125 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,1,0,0,0,0|0,0,2]=3 126 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O CNP0307488.2 [0,1,0,0,0,0|0,0,2]=3 129 B12R1.43 N[C@@H](CC1C=CC=CC1)C(=O)O CNP0486521.1 [0,1,0,0,0,0|0,0,2]=3 130 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,0|0,0,0]=1 132 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.43 N[C@H](CC1=CCC=CC1)C(=O)O CNP0307488.1 [0,1,0,0,0,0|0,0,2]=3 134 B12R1.43 N[C@H](CC1C=CCC=C1)C(=O)O CNP0412664.1 [0,1,0,0,0,0|0,0,2]=3 135 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,0,0,0,0|0,0,2]=3 136 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,0,0,0,0|0,0,2]=3 137 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,0|0,0,1]=2 140 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,0|0,0,0]=1 141 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,0,0|0,0,0]=1 149 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,1,0,0,0,0|1,1,0]=3 152 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,0,0|0,0,0]=1 153 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,0,0|0,0,0]=1 155 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,0,0|0,0,0]=1 157 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,0,0|0,0,0]=1 158 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,0,0,0,0|1,0,2]=4 159 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,0,0,0,0|0,0,2]=3 167 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,1,0,0,0,0|1,0,2]=4 168 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,0,0,0,0|0,0,2]=3 170 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,0,0,0,0|0,0,2]=3 171 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,0,0,0,0|0,0,2]=3 172 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.226 N=C(N)NCC1=CC=CC(=C1)I CNP0461583.0 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.226 NC(=NCC1=CC=CC(=C1)I)N CNP0595788.0 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,0,0,0,0|0,0,2]=3 178 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,0,0,0,0|0,0,2]=3 179 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,0,0,0,0|0,0,2]=3 180 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,0,0|0,0,0]=1 181 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.226 O=C(O)CSC1=CC=CC(=N1)Cl CNP0286786.0 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.226 O=C(O)CSC1=CN=CC(=N1)Cl CNP0008051.0 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,1,0,0,0,0|1,0,1]=3 185 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.891 O=S(=O)(O)CCN1C=CC=CC1 CNP0610892.0 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.891 O=S(=O)(O)CCN1[CH]C=CC=C1 CNP0524929.0 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.891 O=S(=O)(O)COC1=CC=CC=N1 CNP0045158.0 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.891 O=S(=O)([O-])CC[N+]1=CC=CC=C1 CNP0541829.0 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,0,1,0,0,0|1,0,0]=2 193 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,0|3,0,0]=4 194 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,0|1,0,2]=4 195 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,0|1,0,2]=4 196 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,0|0,0,2]=3 197 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,0|2,0,0]=3 198 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,0|1,0,0]=2 199 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,0|1,0,0]=2 200 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,0|0,0,0]=1 201 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,0|2,0,0]=3 202 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,0|1,0,0]=2 203 B12R2.24 O=C1CSC2=NC=CC=C2N1 CNP0047542.0 [0,0,0,1,0,0|3,0,0]=4 204 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,0|2,0,1]=4 205 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,1,0,0|1,0,2]=4 206 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,1,0,0|1,0,2]=4 207 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,1,0,0|2,0,1]=4 208 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,0,0,1,0,0|2,0,1]=4 209 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,0,0,1,0,0|2,0,1]=4 210 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,0,0,1,0,0|2,0,1]=4 211 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,0,0,1,0,0|2,0,1]=4 212 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,0|0,0,0]=1 213 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,0|0,0,0]=1 214 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,1,0|2,0,1]=4 215 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,1,0|2,0,0]=3 216 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,1,0|2,0,1]=4 217 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,1,0|3,0,0]=4 218 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,1,0|1,0,0]=2 219 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,1,0|2,0,0]=3 220 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,1,0|2,0,0]=3 221 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,1,0|3,0,0]=4 222 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,1,0|2,1,0]=4 223 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,1,0|2,0,1]=4 224 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,1,0|3,0,0]=4 225 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,1,0|2,0,1]=4 226 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,1,0|2,0,1]=4 227 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,1,0|2,0,1]=4 228 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,1,0|2,0,1]=4 229 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,1,0|2,0,0]=3 230 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,1,0|2,1,0]=4 231 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,1,0|1,0,0]=2 232 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,1,0|2,0,0]=3 233 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,1,0|2,0,0]=3 234 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,1,0|2,1,0]=4 235 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,1,0|2,1,0]=4 236 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,1,0|1,0,0]=2 237 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,1,0|1,0,0]=2 238 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,1,0|0,0,0]=1 239 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,1,0|1,0,0]=2 240 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,1,0|1,0,0]=2 241 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,1,0|3,0,0]=4 242 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,1,0|3,0,0]=4 243 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,1,0|1,0,2]=4 244 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,0,0,0,1,0|1,0,2]=4 245 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,0,0,0,1,0|2,0,0]=3 246 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [0,0,0,0,1,0|2,0,0]=3 247 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [0,0,0,0,1,0|2,0,0]=3 248 B10R1.66 O=C(O)CCN1C=CN=C1 CNP0153546.0 [0,0,0,0,1,0|2,0,0]=3 249 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,1|2,0,0]=3 250 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,0,1|2,0,1]=4 251 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,1|1,0,0]=2 252 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,1|1,0,0]=2 253 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,0,1|1,0,1]=3 254 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,1|1,0,0]=2 255 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,0,0,0,0,1|2,0,1]=4 256 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,1|0,0,1]=2 257 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [0,0,0,0,0,1|1,0,1]=3 258 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,1|0,0,0]=1 259 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,0,1|1,0,0]=2 260 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,1|0,0,0]=1 261 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,1|0,0,0]=1 262 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|0,0,2]=4 263 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,0,1,0,0,0|1,0,1]=4 264 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|1,0,1]=4 265 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,1]=3 266 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|1,0,1]=4 268 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|1,0,1]=4 269 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,1]=3 270 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,1]=4 271 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,1]=4 272 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,1]=4 274 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,1]=4 275 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,1]=4 276 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,1]=4 277 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,1]=4 278 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 280 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,0]=2 283 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,0,0]=2 287 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|1,0,1]=4 288 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|0,1,0]=3 290 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,1,1,0,0,0|0,0,2]=4 291 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,1,1,0,0,0|0,0,2]=4 292 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,1,0,0,0,0|0,0,2]=4 294 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,1,0,0,0,0|0,0,2]=4 300 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [1,1,0,0,0,0|0,0,2]=4 312 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [1,1,0,0,0,0|0,0,1]=3 314 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [1,1,0,0,0,0|0,0,2]=4 322 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [1,1,0,0,0,0|0,0,1]=3 323 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [1,1,0,0,0,0|0,0,1]=3 325 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,1,0,0,0,0|0,0,1]=3 337 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [1,1,0,0,0,0|0,0,2]=4 339 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,1,0,0,0,0|0,0,1]=3 340 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [1,1,0,0,0,0|0,0,2]=4 341 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,1,0,0,0,0|0,0,0]=2 342 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [1,1,0,0,0,0|0,1,1]=4 343 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,1,0,0,0,0|0,1,1]=4 344 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,1,0,0,0,0|0,0,2]=4 345 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,1,0,0,0,0|0,0,0]=2 351 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,1,0,0,0,0|0,0,0]=2 353 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,1,0,0,0,0|0,0,0]=2 354 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,1,0,0,0,0|0,0,0]=2 356 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [1,1,0,0,0,0|0,0,1]=3 357 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [1,1,0,0,0,0|0,0,1]=3 358 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [1,1,0,0,0,0|0,0,1]=3 361 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [1,1,0,0,0,0|0,0,1]=3 362 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,1,0|2,0,0]=4 364 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,1,0|1,0,0]=3 366 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,1,0|2,0,0]=4 367 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,1,0|1,0,0]=3 373 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,1,0|0,0,0]=2 376 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,1,0|0,0,0]=2 377 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,1,0|0,0,0]=2 378 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,1,0|1,0,0]=3 379 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,1,0|0,0,1]=3 380 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,1,0,0,1,0|0,0,1]=3 381 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,1,0|1,0,1]=4 383 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,1,0|0,0,0]=2 384 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,1,0|1,0,1]=4 385 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,1,0|1,0,1]=4 386 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,1,0|0,0,0]=2 387 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,1,0|1,0,1]=4 388 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,1,0|1,0,1]=4 389 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,1,0|1,0,1]=4 390 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,1,0|1,0,0]=3 391 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,1,0|1,0,0]=3 392 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,1,0|1,0,0]=3 393 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,1,0|0,0,0]=2 394 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,1,0|1,0,0]=3 395 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,1,0|0,0,0]=2 396 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,1,0|1,0,0]=3 397 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,1,0|1,0,1]=4 398 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,1,0|0,0,1]=3 399 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,1,0|0,0,0]=2 400 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,1,0|0,0,0]=2 401 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,1,0|0,0,0]=2 411 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,1,0|0,0,0]=2 412 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,1,0,0,1,0|1,0,0]=3 413 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,1,0|2,0,0]=4 414 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,1,0|0,0,0]=2 420 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,1,0|0,0,0]=2 421 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,1,0|1,0,1]=4 422 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,1,0|1,0,1]=4 423 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,1,0,0,1,0|2,0,0]=4 424 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,1,0|1,0,0]=3 425 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,1,0,0,1,0|2,0,0]=4 426 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,1,0|2,0,0]=4 427 B11R1.25 COC(=O)CCC1=CN=CN1 CNP0181741.0 [0,1,0,0,1,0|2,0,0]=4 428 B11R1.25 COC(=O)CCC1=CNC=N1 CNP0531960.0 [0,1,0,0,1,0|2,0,0]=4 429 B11R1.35 CC(CC1=CNC=N1)C(=O)O CNP0226071.0 [0,1,0,0,1,0|2,0,0]=4 430 B11R1.35 NC(CC1=NC=CN1)C(=O)O CNP0110226.0 [0,1,0,0,1,0|2,0,0]=4 431 B11R1.35 NC(CC1=NC=CS1)C(=O)O CNP0336095.0 [0,1,0,0,1,0|2,0,0]=4 432 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,1,0,0,1,0|1,0,0]=3 433 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O CNP0584490.2 [0,1,0,0,1,0|2,0,0]=4 434 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O CNP0161367.1 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.35 N[C@@H](CC1=NC=CN1)C(=O)O CNP0110226.1 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.35 N[C@@H](CN1C=CC=C1)C(=O)O CNP0507224.1 [0,1,0,0,1,0|1,0,0]=3 437 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O CNP0296227.1 [0,1,0,0,1,0|2,0,0]=4 438 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,1,0,0,1,0|1,0,0]=3 439 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O CNP0584490.1 [0,1,0,0,1,0|2,0,0]=4 440 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O CNP0161367.2 [0,1,0,0,1,0|2,0,0]=4 441 B11R1.35 N[C@H](CN1C=CC=C1)C(=O)O CNP0507224.2 [0,1,0,0,1,0|1,0,0]=3 442 B11R1.35 N[C@H](CN1C=CC=N1)C(=O)O CNP0296227.2 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.35 O=C(O)C(O)CC1=CNC=N1 CNP0534180.0 [0,1,0,0,1,0|2,0,0]=4 444 B11R1.35 O=C(O)C(O)CN1C=CN=C1 CNP0041361.0 [0,1,0,0,1,0|2,0,0]=4 445 B11R1.35 O=C(O)[C@@H](O)CC1=CN=CN1 CNP0195524.1 [0,1,0,0,1,0|2,0,0]=4 446 B11R1.75 O=C(O)CCC1=CC(=O)CC1 CNP0183676.0 [0,1,0,0,1,0|0,0,2]=4 447 B11R1.75 O=C(O)CCC1=CC(=O)OC1 CNP0583583.0 [0,1,0,0,1,0|1,0,1]=4 448 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,1,0,0,1,0|2,0,0]=4 449 B11R1.77 CC(CC(=O)O)N1C=CN=C1 CNP0362977.0 [0,1,0,0,1,0|2,0,0]=4 450 B11R1.77 N[C@@H](CC(=O)O)C1=NC=CS1 CNP0270523.1 [0,1,0,0,1,0|2,0,0]=4 451 B11R1.90 CC1=CNC=C1CCC(=O)O CNP0612044.0 [0,1,0,0,1,0|1,0,0]=3 452 B11R1.90 O=C(O)CCC1=CCOC1=O CNP0299927.0 [0,1,0,0,1,0|1,0,1]=4 453 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,1,0,0,0,1|1,0,1]=4 454 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,1,0,0,0,1|1,0,1]=4 455 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [0,1,0,0,0,1|1,0,0]=3 456 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [0,1,0,0,0,1|0,0,0]=2 457 B13R1.45 NC(=O)CCC(=O)C1=CC=CN=C1 CNP0109565.0 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [0,1,0,0,0,1|0,0,0]=2 459 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [0,1,0,0,0,1|0,0,0]=2 460 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 CNP0009522.0 [0,1,0,0,0,1|0,0,2]=4 461 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,1,0,0,0,1|0,0,0]=2 462 B13R1.45 O=C(O)CCC(=O)C1=CC=CN=C1 CNP0220622.0 [0,1,0,0,0,1|1,0,0]=3 463 B13R1.45 O=C(O)CCC(O)C1=CC=CN=C1 CNP0334963.0 [0,1,0,0,0,1|1,0,0]=3 464 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [0,1,0,0,0,1|0,0,0]=2 465 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [0,1,0,0,0,1|0,0,0]=2 466 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CNP0201196.0 [0,1,0,0,0,1|0,0,1]=3 467 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=N1 CNP0247858.0 [0,1,0,0,0,1|1,0,1]=4 468 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 CNP0229746.0 [0,1,0,0,0,1|1,0,1]=4 469 B13R1.149 CC(=O)CCCC1=CC=CC(=O)O1 CNP0288902.0 [0,1,0,0,0,1|2,0,0]=4 470 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [0,1,0,0,0,1|1,0,0]=3 471 B13R1.149 N=C(N)NCCC1=CC=CC(=C1)O CNP0214719.0 [0,1,0,0,0,1|2,0,0]=4 472 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [0,1,0,0,0,1|1,0,0]=3 473 B13R1.158 CC1=CC=CC=C1C=CCC(=O)N CNP0577535.0 [0,1,0,0,0,1|1,0,1]=4 474 B13R1.158 O=C(O)CC=CC1=CC=CC=C1O CNP0121004.0 [0,1,0,0,0,1|0,0,1]=3 475 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,1,0,0,0,1|0,0,0]=2 476 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,1,0,0,0,1|1,0,1]=4 477 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,1,0,0,0,1|1,0,1]=4 478 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,1,0,0,0,1|1,0,0]=3 479 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,1,0,0,0,1|1,0,0]=3 480 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,1,0,0,0,1|1,0,0]=3 481 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,1,0,0,0,1|1,0,1]=4 482 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,1,0,0,0,1|0,0,0]=2 483 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [0,1,0,0,0,1|0,0,1]=3 484 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,1,0,0,0,1|1,0,0]=3 485 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,1,0,0,0,1|0,0,0]=2 486 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,1,0,0,0,1|0,0,0]=2 487 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,1,0,0,0,1|0,0,0]=2 488 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=N1 CNP0478013.0 [0,1,0,0,0,1|1,0,1]=4 489 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,1,0,0,0,1|0,0,0]=2 490 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [0,1,0,0,0,1|1,0,1]=4 491 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [0,1,0,0,0,1|1,0,0]=3 492 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [0,1,0,0,0,1|1,0,0]=3 493 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [0,1,0,0,0,1|1,0,0]=3 494 B13R1.513 CC1=CC=C(C=C1)OCCP(=O)O CNP0506132.0 [0,1,0,0,0,1|1,0,0]=3 495 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [0,1,0,0,0,1|1,0,1]=4 496 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,1,0,0,0,1|1,0,0]=3 497 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,1,0,0,0,1|1,0,0]=3 498 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,1,0,0,0,1|0,0,2]=4 499 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,1,0,0,0,1|0,0,1]=3 500 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,1,0,0,0,1|0,0,0]=2 501 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,1,0,0,0,1|0,0,0]=2 502 B13R1.718 OCN(O)CCCC1=CC=CC=C1 CNP0505008.0 [0,1,0,0,0,1|1,0,1]=4 503 B13R1.3523 O=S(=O)(O)CCNC1=CC=CC=C1 CNP0507903.0 [0,1,0,0,0,1|1,0,0]=3 504 B13R1.3 C=CC1=CC=C(C=C1)COC(=O)C CNP0018344.0 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.3 CC(=O)COC1=CC=C(C=C1)CN CNP0384005.0 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,2,0,0,0,0|0,0,0]=2 508 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,2,0,0,0,0|0,0,2]=4 510 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,2,0,0,0,0|0,0,2]=4 511 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,2,0,0,0,0|0,0,0]=2 514 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.3 CSC1=CC=C(C=C1)C=CC(=O)O CNP0602100.0 [0,2,0,0,0,0|0,0,2]=4 520 B13R1.3 NC(=O)COC1=CC=C(C=C1)C=O CNP0566426.0 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,2,0,0,0,0|0,0,2]=4 524 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,2,0,0,0,0|0,0,2]=4 525 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,2,0,0,0,0|0,0,2]=4 526 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.14 O=C(C=CC1=CC=C(C=C1)Cl)NO CNP0534943.0 [0,2,0,0,0,0|0,0,2]=4 528 B13R1.132 CC(=CC(=O)O)C1=CC=C(C=C1)C CNP0475378.0 [0,2,0,0,0,0|0,0,2]=4 529 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,2,0,0,0,0|0,0,0]=2 532 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,2,0,0,0,0|0,0,0]=2 533 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,2,0,0,0,0|0,0,0]=2 534 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,2,0,0,0,0|0,0,0]=2 535 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,2,0,0,0,0|0,0,0]=2 536 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [0,2,0,0,0,0|0,0,0]=2 537 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O CNP0180291.0 [0,2,0,0,0,0|0,0,1]=3 538 B13R1.133 CC(=CC1=CC=C(C=C1)I)C(=O)O CNP0438539.0 [0,2,0,0,0,0|0,0,2]=4 539 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.133 CC(O)C(O)CC1=CC=C(C=C1)O CNP0367741.0 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,2,0,0,0,0|0,0,1]=3 544 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.133 C[C@H](O)[C@@H](O)CC1=CC=C(C=C1)O CNP0367741.2 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.133 C[C@H](O)[C@H](O)CC1=CC=C(C=C1)O CNP0367741.1 [0,2,0,0,0,0|1,0,1]=4 547 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,2,0,0,0,0|0,0,1]=3 548 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.133 NC(CC1=CNC(=O)C=C1)C(=O)O CNP0485960.0 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,2,0,0,0,0|0,0,0]=2 551 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,2,0,0,0,0|0,0,0]=2 554 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,2,0,0,0,0|0,0,0]=2 555 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,2,0,0,0,0|0,0,0]=2 556 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.133 N[C@@H](CC1=CC=C(C=N1)O)C(=O)O CNP0228825.1 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.133 N[C@@H](CC1=CC=C(N=C1)O)C(=O)O CNP0202206.1 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,2,0,0,0,0|0,0,0]=2 560 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,2,0,0,0,0|0,0,0]=2 561 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,2,0,0,0,0|0,0,0]=2 562 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,2,0,0,0,0|0,0,0]=2 563 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)O)O CNP0185306.0 [0,2,0,0,0,0|0,0,2]=4 564 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,2,0,0,0,0|0,0,1]=3 565 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,2,0,0,0,0|0,0,0]=2 566 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,2,0,0,0,0|0,0,0]=2 567 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,2,0,0,0,0|0,0,0]=2 568 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)O CNP0075799.0 [0,2,0,0,0,0|0,0,2]=4 569 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,2,0,0,0,0|0,0,0]=2 570 B13R1.164 CC1=CC(=O)C(=CO1)OCC(=O)O CNP0356926.0 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.164 O=C(O)C=CC1=CC=C(C=C1O)O CNP0192872.0 [0,2,0,0,0,0|0,0,2]=4 572 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,2,0,0,0,0|0,0,0]=2 573 B13R1.164 O=C(O)COC1=CC=C(C=C1Cl)Cl CNP0341289.0 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [0,2,0,0,0,0|0,0,2]=4 576 B13R1.511 C[C@@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.1 [0,2,0,0,0,0|1,0,1]=4 577 B13R1.511 C[C@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.2 [0,2,0,0,0,0|1,0,1]=4 578 B13R1.511 O=C(O)C=CC1=CC(=O)C(=O)C=C1 CNP0081893.0 [0,2,0,0,0,0|0,0,2]=4 579 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)Cl)Cl CNP0275534.0 [0,2,0,0,0,0|0,0,2]=4 580 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [0,2,0,0,0,0|0,0,2]=4 581 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [0,2,0,0,0,0|0,0,0]=2 582 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [0,2,0,0,0,0|0,0,0]=2 583 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.11 CCC(O)CC(O)C1=CC=CC=C1 CNP0116597.0 [0,2,0,0,0,0|1,0,1]=4 585 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,2,0,0,0,0|0,0,0]=2 586 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,2,0,0,0,0|0,0,0]=2 587 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,2,0,0,0,0|0,0,0]=2 588 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,2,0,0,0,0|0,0,0]=2 589 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,2,0,0,0,0|0,0,0]=2 590 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,2,0,0,0,0|0,0,0]=2 591 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,2,0,0,0,0|0,0,2]=4 592 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,2,0,0,0,0|0,0,2]=4 593 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,2,0,0,0,0|0,0,2]=4 594 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 CNP0507165.0 [0,2,0,0,0,0|1,0,1]=4 595 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,2,0,0,0,0|2,0,0]=4 598 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,2,0,0,0,0|1,1,0]=4 599 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,2,0,0,0,0|0,0,2]=4 600 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,2,0,0,0,0|0,0,0]=2 601 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,2,0,0,0,0|1,1,0]=4 602 B13R1.42 C[C@H](CCO)CCC1=CC=CC=C1 CNP0269177.1 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,2,0,0,0,0|0,0,0]=2 604 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,2,0,0,0,0|0,0,0]=2 606 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,2,0,0,0,0|1,0,0]=3 607 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,2,0,0,0,0|0,0,2]=4 608 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,2,0,0,0,0|0,0,1]=3 609 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,2,0,0,0,0|1,0,0]=3 610 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,2,0,0,0,0|0,0,0]=2 611 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,2,0,0,0,0|1,0,0]=3 612 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,2,0,0,0,0|0,0,0]=2 613 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,2,0,0,0,0|1,0,0]=3 614 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,2,0,0,0,0|0,0,0]=2 615 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,2,0,0,0,0|0,0,0]=2 616 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,2,0,0,0,0|1,0,0]=3 617 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,2,0,0,0,0|1,0,0]=3 618 B13R1.135 N[C@@H](CC1=CC=CC=C1)[C@@H](O)CCl CNP0541597.1 [0,2,0,0,0,0|1,0,1]=4 619 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 CNP0003348.0 [0,2,0,0,0,0|1,0,1]=4 620 B13R1.417 COC(CCC1=CC=CC=C1)OC CNP0293429.0 [0,2,0,0,0,0|0,0,2]=4 621 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,2,0,0,0,0|0,0,2]=4 622 B13R1.148 CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0530805.1 [0,2,0,0,0,0|0,0,0]=2 623 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,2,0,0,0,0|0,0,0]=2 624 B13R1.148 N=C1N=C(C=CN1)C[C@H](N)C(=O)O CNP0479244.1 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.148 NC1=NC=CC(=N1)C[C@H](N)C(=O)O CNP0237059.1 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0201266.1 [0,2,0,0,0,0|0,0,0]=2 627 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,2,0,0,0,0|0,0,1]=3 628 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.4 [0,2,0,0,0,0|0,0,0]=2 629 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.1 [0,2,0,0,0,0|0,0,0]=2 630 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.2 [0,2,0,0,0,0|0,0,0]=2 631 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.3 [0,2,0,0,0,0|0,0,0]=2 632 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.3 [0,2,0,0,0,0|0,0,0]=2 633 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.4 [0,2,0,0,0,0|0,0,0]=2 634 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.1 [0,2,0,0,0,0|0,0,0]=2 635 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.2 [0,2,0,0,0,0|0,0,0]=2 636 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.4 [0,2,0,0,0,0|0,0,0]=2 637 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.2 [0,2,0,0,0,0|0,0,0]=2 638 B13R1.152 N[C@H](C(=O)O)C(O)C1=CC=CC=C1 CNP0361341.1 [0,2,0,0,0,0|0,0,0]=2 639 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.3 [0,2,0,0,0,0|0,0,0]=2 640 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.5 [0,2,0,0,0,0|0,0,0]=2 641 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0214237.1 [0,2,0,0,0,0|0,0,0]=2 642 B13R1.152 O=C(O)C(=C(Br)C1=CC=CC=C1)Br CNP0267224.0 [0,2,0,0,0,0|0,0,2]=4 643 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,2,0,0,0,0|0,0,1]=3 644 B13R1.152 O=C(O)[C@@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.3 [0,2,0,0,0,0|0,0,0]=2 645 B13R1.152 O=C(O)[C@@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.4 [0,2,0,0,0,0|0,0,0]=2 646 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0234856.1 [0,2,0,0,0,0|0,0,0]=2 647 B13R1.152 O=C(O)[C@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.1 [0,2,0,0,0,0|0,0,0]=2 648 B13R1.152 O=C(O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.2 [0,2,0,0,0,0|0,0,0]=2 649 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,2,0,0,0,0|0,0,0]=2 650 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.2 [0,2,0,0,0,0|0,0,0]=2 651 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.1 [0,2,0,0,0,0|0,0,0]=2 652 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,2,0,0,0,0|0,0,1]=3 653 B13R1.202 O=C(O)[C@@H](O)CC1=CC=CC=C1O CNP0312598.1 [0,2,0,0,0,0|0,0,0]=2 654 B13R1.353 N[C@@H](CC1=CC=CC=C1)P(=O)(O)O CNP0096775.2 [0,2,0,0,0,0|1,0,0]=3 655 B13R1.353 N[C@H](CC1=CC=CC=C1)P(=O)(O)O CNP0096775.1 [0,2,0,0,0,0|1,0,0]=3 656 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,2,0,0,0,0|1,0,1]=4 657 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,2,0,0,0,0|1,0,0]=3 658 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,2,0,0,0,0|1,0,0]=3 659 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,2,0,0,0,0|0,0,2]=4 660 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,2,0,0,0,0|0,0,0]=2 661 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,2,0,0,0,0|0,0,0]=2 662 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,2,0,0,0,0|0,0,2]=4 663 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,2,0,0,0,0|0,0,0]=2 664 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,2,0,0,0,0|0,0,0]=2 665 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,2,0,0,0,0|1,0,1]=4 666 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,2,0,0,0,0|0,0,1]=3 667 B13R1.418 O=C(O)[C@@H](CC1=CC=CC=C1)NO CNP0288777.1 [0,2,0,0,0,0|0,0,0]=2 668 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,2,0,0,0,0|0,0,0]=2 669 B13R1.418 O=C(O)[C@H](CC1=CC=CC=C1)NO CNP0288777.2 [0,2,0,0,0,0|0,0,0]=2 670 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,2,0,0,0,0|0,0,0]=2 671 B13R1.1073 CN(O)C(C)(C)CC1=CC=CC=C1 CNP0321369.0 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,2,0,0,0,0|0,0,0]=2 673 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,2,0,0,0,0|0,0,0]=2 674 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.1 [0,2,0,0,0,0|0,0,0]=2 675 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.2 [0,2,0,0,0,0|0,0,0]=2 676 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)O CNP0083903.0 [0,2,0,0,0,0|0,0,0]=2 677 B13R1.201 CC1=CC=CC=C1C(=O)CC(=O)N CNP0141279.0 [0,2,0,0,0,0|1,0,1]=4 678 B13R1.201 CC1=CC=CC=C1[C@@H](O)CC(=O)N CNP0328857.1 [0,2,0,0,0,0|1,0,0]=3 679 B13R1.201 NC1=CC=CC=C1C(=O)CC(=O)O CNP0081989.0 [0,2,0,0,0,0|0,0,1]=3 680 B13R1.713 CC(=O)N[C@@H](C#N)C1=CC=CC=C1 CNP0041616.2 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.713 CC(=O)N[C@H](C#N)C1=CC=CC=C1 CNP0041616.1 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.713 CC(=O)O[C@@H](C#N)C1=CC=CC=C1 CNP0168985.1 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.713 CC(=O)O[C@@H](CO)C1=CC=CC=C1 CNP0137534.1 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.713 CCC(OC(=O)C)C1=CC=CC=C1 CNP0611641.0 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.713 CC[C@@H](NC(=O)C)C1=CC=CC=C1 CNP0144225.2 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.713 CC[C@H](NC(=O)C)C1=CC=CC=C1 CNP0144225.1 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 CNP0530045.0 [0,2,0,0,0,0|0,0,0]=2 688 B13R1.90 COC1=CC=CC=C1C=CC(=O)O CNP0180961.0 [0,2,0,0,0,0|0,0,2]=4 689 B13R1.90 COC1=CC=CC=C1CCC(=O)N CNP0602368.0 [0,2,0,0,0,0|1,0,0]=3 690 B13R1.90 COC1=CC=CC=C1CCC(=O)O CNP0307963.0 [0,2,0,0,0,0|0,0,0]=2 691 B13R1.90 COC1=CC=CC=C1OCC(=O)O CNP0575814.0 [0,2,0,0,0,0|1,0,0]=3 692 B13R1.90 N#CC1=CC=CC=C1C=CC(=O)O CNP0133457.0 [0,2,0,0,0,0|0,0,2]=4 693 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O CNP0437828.0 [0,2,0,0,0,0|1,0,0]=3 694 B13R1.150 O=C(O)C=CC1=CC=CC(=C1O)O CNP0316964.0 [0,2,0,0,0,0|0,0,2]=4 695 B13R1.893 CC1=CC=[N+](C=C1CCC(=O)O)C CNP0608890.0 [0,2,0,0,0,0|1,0,0]=3 696 B13R1.893 CC1=CC=[N+](C=C1CCC(=O)[O-])C CNP0429204.0 [0,2,0,0,0,0|1,0,1]=4 697 B13R1.893 O=C(O)C=CC1=CC(=CC=C1O)O CNP0110380.0 [0,2,0,0,0,0|0,0,2]=4 698 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C CNP0491445.0 [0,2,0,0,0,0|1,0,0]=3 699 B13R1.3787 O=C(O)C=CC1=C(C=CC=C1Cl)Cl CNP0065410.0 [0,2,0,0,0,0|0,0,2]=4 700 B13R1.3787 O=C(O)C=CC1=C(C=CC=C1O)O CNP0153086.0 [0,2,0,0,0,0|0,0,2]=4 701 B13R1.3787 O=C(O)CCC1=C(C=COC1=O)O CNP0444918.0 [0,2,0,0,0,0|1,0,0]=3 702 B13R1.3787 O=C(O)CCC1=C(OC=CC1=O)O CNP0087257.0 [0,2,0,0,0,0|1,0,0]=3 703 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [0,2,0,0,0,0|0,0,2]=4 704 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,2,0,0,0,0|0,0,0]=2 705 B13R1.3420 CC1=CC(=CC(=C1)C=CC(=O)O)C CNP0453525.0 [0,2,0,0,0,0|0,0,2]=4 706 B13R1.3420 O=C(O)C=CC1=CC(=CC(=C1)O)O CNP0306704.0 [0,2,0,0,0,0|0,0,2]=4 707 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)O)O CNP0301577.0 [0,2,0,0,0,0|0,0,0]=2 708 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,0,1,1,0,0|1,0,1]=4 709 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,1]=4 710 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 711 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,0,0,1,0,0|2,0,0]=4 712 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [1,0,0,1,0,0|2,0,0]=4 713 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,1]=4 714 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,0]=2 715 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,0]=3 716 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,0]=3 717 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,1]=4 718 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,0]=3 719 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 720 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|1,0,0]=3 721 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,0,0,1,0,0|1,0,1]=4 722 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,0]=3 723 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [1,0,0,1,0,0|2,0,0]=4 724 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [1,0,0,1,0,0|1,0,1]=4 725 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [1,0,0,1,0,0|1,0,1]=4 726 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [1,0,0,1,0,0|1,0,1]=4 727 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,0]=3 728 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,1,0,0|2,0,0]=4 729 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,1,0,0|2,0,0]=4 730 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|1,0,1]=4 731 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [1,0,0,1,0,0|2,0,0]=4 732 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [1,0,0,1,0,0|1,0,1]=4 733 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [1,0,0,1,0,0|1,0,1]=4 734 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [1,0,0,1,0,0|1,0,0]=3 735 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [1,0,0,1,0,0|1,0,0]=3 736 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [1,0,0,1,0,0|1,0,1]=4 737 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [1,0,0,1,0,0|1,0,1]=4 738 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [1,0,0,1,0,0|1,0,1]=4 739 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,1,0|1,0,1]=4 740 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,1,0|2,0,0]=4 741 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,1,1,0|1,0,1]=4 742 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,1,1,0|1,0,1]=4 743 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,1,1,0|0,0,2]=4 744 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,1,0|1,0,0]=3 745 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,1,0|0,0,0]=2 746 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,1,0|1,0,0]=3 747 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,1,1,0|1,1,0]=4 748 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,1,0|1,0,0]=3 749 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,1,0|1,0,1]=4 750 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,1,1,0|1,1,0]=4 751 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,1,0|1,0,1]=4 752 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,1,0|1,0,1]=4 753 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [0,0,0,1,0,1|2,0,0]=4 754 B13R2.10 CC1COC(O1)C2=CC=CC=C2 CNP0291344.0 [0,0,0,1,0,1|1,0,1]=4 755 B13R2.10 ClC1=NN(CC1)C2=CC=CC=C2 CNP0415202.0 [0,0,0,1,0,1|2,0,0]=4 756 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,0,0,1,0,1|1,0,0]=3 757 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 CNP0064573.0 [0,0,0,1,0,1|2,0,0]=4 758 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,1|1,0,1]=4 759 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [0,0,0,1,0,1|2,0,0]=4 760 B13R2.10 O=C1CNC(=N1)C2=CC=CC=C2 CNP0040410.0 [0,0,0,1,0,1|1,0,1]=4 761 B13R2.10 O=C1CSC(=N1)C2=CC=CC=C2 CNP0049999.0 [0,0,0,1,0,1|1,0,1]=4 762 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,1|0,0,0]=2 763 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,1|0,0,0]=2 764 B13R2.10 OC1=NC(CC1)C2=CC=CN=C2 CNP0597392.0 [0,0,0,1,0,1|2,0,0]=4 765 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,0,0,1,0,1|0,1,0]=3 766 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,0,0,1,0,1|0,1,0]=3 767 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,0,0,1,0,1|0,1,0]=3 768 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [0,0,0,1,0,1|1,0,0]=3 769 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [0,0,0,1,0,1|0,0,1]=3 770 B13R2.72 O=C(O)C1=CNC2=CC=CC=C12 CNP0272837.0 [0,0,0,1,0,1|0,0,2]=4 771 B13R2.72 O=C(O)C1=CSC2=CC=CC=C12 CNP0443315.0 [0,0,0,1,0,1|0,0,2]=4 772 B13R2.72 O=C(O)C1C=CC2=CC=CC=C12 CNP0085963.0 [0,0,0,1,0,1|0,0,1]=3 773 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,1|0,0,0]=2 774 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,1|0,0,0]=2 775 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,1|0,0,0]=2 776 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,1|0,0,0]=2 777 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [0,0,0,1,0,1|1,0,1]=4 778 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [0,0,0,1,0,1|1,0,0]=3 779 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [0,0,0,1,0,1|1,0,0]=3 780 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [0,0,0,1,0,1|1,0,0]=3 781 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [0,0,0,1,0,1|1,0,0]=3 782 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,1,0,1,0,0|0,0,2]=4 783 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [0,1,0,1,0,0|0,0,2]=4 784 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,1,0,0|0,0,0]=2 785 B13R2.32 CC1CCC2=CC=CC=C2C1O CNP0605672.0 [0,1,0,1,0,0|1,0,1]=4 786 B13R2.32 N[C@H]1CCC2=CC=CC=C2[C@@H]1O CNP0596787.2 [0,1,0,1,0,0|1,0,1]=4 787 B13R2.32 N[C@H]1CCC2=CC=CC=C2[C@H]1O CNP0596787.1 [0,1,0,1,0,0|1,0,1]=4 788 B13R2.32 O=C1COC2=CC=CC=C2N1O CNP0252582.0 [0,1,0,1,0,0|1,0,0]=3 789 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,1,0,1,0,0|2,0,0]=4 790 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,1,0,1,0,0|1,0,0]=3 791 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,1,0,1,0,0|0,0,0]=2 792 B13R2.33 OC1CCC2=CC=CC=C2OC1 CNP0506592.0 [0,1,0,1,0,0|0,0,2]=4 793 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 CNP0376757.0 [0,1,0,1,0,0|2,0,0]=4 794 B13R2.3203 OC1(NN1)CCC2=CC=CC=C2 CNP0173869.0 [0,1,0,1,0,0|1,0,1]=4 795 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,1,0,0|0,0,2]=4 796 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,1,0,1,0,0|0,0,2]=4 797 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,1,0,1,0,0|1,0,1]=4 798 B13R2.369 O=C1NC2=CC=CC=C2O[C@H]1O CNP0291912.1 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,1,0,1,0,0|0,0,2]=4 800 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,1,0,1,0,0|0,0,2]=4 801 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,1,0,1,0,0|1,0,1]=4 802 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,1,0,1,0,0|0,0,2]=4 803 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,1,0,1,0,0|0,0,2]=4 804 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,1,0,1,0,0|0,0,2]=4 805 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CNP0500150.0 [0,1,0,1,0,0|1,0,1]=4 806 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,1,0,1,0,0|0,0,0]=2 807 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,1,0,1,0,0|0,0,0]=2 808 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,1,0,1,0,0|0,0,0]=2 809 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,1,0,0|0,0,2]=4 810 B13R2.328 C[C@H]1C[C@@H](C2=CC=CC=C2O1)O CNP0551854.1 [0,1,0,1,0,0|1,0,1]=4 811 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [0,1,0,1,0,0|0,0,2]=4 812 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [0,1,0,1,0,0|0,0,2]=4 813 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [0,1,0,1,0,0|0,0,2]=4 814 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [0,1,0,1,0,0|1,0,1]=4 815 B13R2.222 CC1(CCC2=CC=CC=C2O1)C CNP0086340.0 [0,1,0,1,0,0|1,0,1]=4 816 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,1,0,1,0,0|0,0,2]=4 817 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,1,0,1,0,0|0,0,2]=4 818 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [0,1,0,1,0,0|0,0,2]=4 819 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O CNP0075698.0 [0,1,0,1,0,0|1,0,0]=3 820 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,1,0,1,0,0|1,0,0]=3 821 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,1,0,1,0,0|0,0,2]=4 822 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 CNP0223788.0 [0,1,0,1,0,0|0,1,0]=3 823 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CNP0010263.0 [0,1,0,1,0,0|0,0,2]=4 824 B13R2.3683 O=C1C=C2CCC(=O)CC2=CC1 CNP0541100.0 [0,1,0,1,0,0|1,0,1]=4 825 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,1,0,1,0,0|0,0,2]=4 826 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,1,0,1,0,0|1,0,0]=3 827 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)O CNP0119141.0 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,1,0|2,0,0]=4 829 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,1,0|2,0,0]=4 830 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,1,0|2,0,0]=4 831 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,2,0|2,0,0]=4 832 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,2,0|1,0,0]=3 833 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,2,0|2,0,0]=4 834 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,2,0|2,0,0]=4 835 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,2,0|2,0,0]=4 836 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,2,0|1,0,1]=4 837 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,2,0|1,0,1]=4 838 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,2,0|2,0,0]=4 839 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,2,0|1,0,0]=3 840 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,2,0|2,0,0]=4 841 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,2,0|2,0,0]=4 842 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,2,0|2,0,0]=4 843 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,2,0|2,0,0]=4 844 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,2,0|2,0,0]=4 845 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,2,0|2,0,0]=4 846 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,2,0|0,0,0]=2 847 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,2,0|1,0,0]=3 848 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,2,0|1,0,0]=3 849 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,2,0|1,0,0]=3 850 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,2,0|2,0,0]=4 851 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,2,0|0,1,0]=3 852 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,2,0|0,0,1]=3 853 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,2,0|0,0,1]=3 854 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,2,0|0,0,1]=3 855 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,2,0|1,0,1]=4 856 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,2,0|1,0,1]=4 857 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,2,0|1,0,0]=3 858 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,2,0|1,0,1]=4 859 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,2,0|1,0,0]=3 860 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,2,0|1,0,0]=3 861 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,2,0|1,0,0]=3 862 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,2,0|1,0,1]=4 863 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,2,0|2,0,0]=4 864 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,2,0|1,0,0]=3 865 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,0,0,0,2,0|2,0,0]=4 866 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,0,0,0,2,0|2,0,0]=4 867 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,2,0|1,0,0]=3 868 B9R1.13 O=C(O)CN1C=CN=C1 CNP0251391.0 [0,0,0,0,2,0|2,0,0]=4 869 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [0,0,0,0,0,2|1,0,0]=3 870 B13R1.337 CC(=O)C=CNCC1=CC=CC=C1 CNP0417107.0 [0,0,0,0,0,2|1,0,1]=4 871 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 CNP0207222.0 [0,0,0,0,0,2|1,0,1]=4 872 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [0,0,0,0,0,2|1,0,0]=3 873 B13R1.337 C[C@H](O)CC#CCC1=CC=CC=C1 CNP0166956.1 [0,0,0,0,0,2|1,0,1]=4 874 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 CNP0301747.0 [0,0,0,0,0,2|1,0,0]=3 875 B13R1.337 O=C(O)C=CC=CC1=CC=CC=C1 CNP0177753.0 [0,0,0,0,0,2|0,0,2]=4 876 B13R1.337 O=C(O)CC=CCC1=CC=CC=C1 CNP0286082.0 [0,0,0,0,0,2|0,0,0]=2 877 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [0,0,0,0,0,2|0,0,0]=2 878 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 CNP0097941.0 [0,0,0,0,0,2|0,0,0]=2 879 B13R1.337 O=C(O)CCCC[N+]1=CC=CC=C1 CNP0541520.0 [0,0,0,0,0,2|1,0,0]=3