0 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.91 CN(C)N=NC1=CC=CC=C1 CNP0594797.0 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,0|1,0,2]=3 15 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,0,0|2,1,1]=4 18 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,0|1,0,2]=3 19 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,0|1,0,3]=4 20 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,0|1,0,3]=4 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|0,0,2]=3 28 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|0,0,2]=3 31 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|1,0,2]=4 53 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|0,0,2]=3 54 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,0,0,0,0,0|0,0,2]=3 57 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,0,0,0,0|0,0,2]=3 58 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|0,0,0]=1 59 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,0,0,0,0,0|1,1,1]=4 63 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|1,1,1]=4 64 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,0|0,0,2]=3 66 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,1,0,0,0,0|0,0,0]=1 72 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,1,0,0,0,0|0,0,0]=1 73 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,0,0,0,0|0,0,3]=4 82 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,0|0,0,1]=2 83 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,0|1,0,2]=4 86 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,0,0,0|0,0,0]=1 88 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,1,0,0,0,0|1,1,1]=4 90 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,0|0,0,3]=4 92 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,0|0,0,2]=3 93 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,0|0,0,0]=1 105 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,0|1,0,2]=4 107 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,0|1,0,2]=4 117 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,0|0,0,3]=4 120 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,0|1,0,2]=4 121 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,0|1,0,2]=4 123 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,1,0,0,0,0|1,1,1]=4 130 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,0,0|1,0,1]=3 131 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,0,0|1,0,1]=3 133 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,0|0,0,2]=3 137 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.125 CC(C)COC1=CC=CC=C1N CNP0436425.0 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,0,0|1,0,2]=4 143 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,0|1,0,2]=4 146 B12R1.226 CC1=CN=CC(=N1)CCC(C)C CNP0287921.0 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,0,0|1,0,1]=3 148 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.891 CC(C)(O)C#CC1=CC=CC=N1 CNP0406536.0 [0,1,0,0,0,0|1,0,2]=4 150 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,1,0,0,0,0|0,0,0]=1 151 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [0,1,0,0,0,0|3,0,0]=4 154 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,0,1,0,0,0|0,0,2]=3 155 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,0|1,0,2]=4 157 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,0|0,0,2]=3 158 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,0|1,0,2]=4 159 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,0|1,0,1]=3 160 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,0|2,0,1]=4 161 B12R2.24 O[C@H]1CN=C2C=CC=CN2C1 CNP0248864.2 [0,0,0,1,0,0|2,0,0]=3 162 B12R2.24 O[C@H]1C[NH+]=C2C=CC=CN2C1 CNP0545554.1 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.92 ClC1(C[C@@H]1C2=CC=CC=C2)Cl CNP0057458.1 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.92 ClC1(C[C@H]1C2=CC=CC=C2)Cl CNP0057458.2 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,0,0,1,0,0|1,0,0]=2 166 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,0,0,1,0,0|1,0,2]=4 167 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [0,0,0,1,0,0|2,0,1]=4 168 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,0|1,0,1]=3 170 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,0|1,0,1]=3 171 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,1,0|1,0,1]=3 172 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,1,0|1,0,2]=4 173 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,1,0|2,0,1]=4 174 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,1,0|0,0,2]=3 175 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,1,0|1,0,2]=4 176 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,1,0|1,0,2]=4 177 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,1,0|1,1,1]=4 178 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,1,0|1,0,0]=2 179 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,1,0|2,0,0]=3 180 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,1,0|2,0,0]=3 181 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,0,0,0,1,0|3,0,0]=4 182 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,1,0|2,0,0]=3 183 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,1,0|2,0,0]=3 184 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,1,0|1,0,0]=2 185 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,1,0|1,0,0]=2 186 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,1,0|1,0,1]=3 187 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,1,0|1,0,1]=3 188 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,1,0|2,0,1]=4 189 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,1,0|1,0,2]=4 190 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,1,0|1,0,2]=4 191 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,1,0|1,0,2]=4 192 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,1,0|1,0,1]=3 193 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,1,0|2,0,1]=4 194 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,1,0|1,0,2]=4 195 B10R1.66 CC(C)CCC1=COC=C1 CNP0161976.0 [0,0,0,0,1,0|2,0,0]=3 196 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,0,0,0,1,0|3,0,0]=4 197 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,1|1,0,1]=3 198 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,1|0,0,2]=3 199 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,1|0,0,2]=3 200 B12R1.252 CC(C)CN=CC1=CC=CC=C1 CNP0478741.0 [0,0,0,0,0,1|1,0,1]=3 201 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,1|1,0,2]=4 202 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,1|1,0,2]=4 203 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,1|1,0,1]=3 204 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,0,1|2,0,1]=4 205 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,1|1,0,1]=3 206 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,1|1,0,1]=3 207 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [1,0,1,0,0,0|0,0,1]=3 208 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [1,0,1,0,0,0|0,0,1]=3 209 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|0,0,0]=2 210 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,1,0,0,0|0,0,2]=4 211 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,1,0,0,0|0,0,2]=4 212 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,0,1,0,0,0|1,0,0]=3 213 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,0,1,0,0,0|1,0,1]=4 214 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [1,0,1,0,0,0|2,0,0]=4 215 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,2]=4 216 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,2]=4 217 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,0]=2 218 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 231 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,2]=4 234 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,0,0]=2 235 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|0,1,0]=3 238 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|0,0,2]=4 239 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|0,0,2]=4 240 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,0,2]=4 252 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,1,0,0,0,0|0,0,2]=4 253 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [1,1,0,0,0,0|0,0,2]=4 257 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [1,1,0,0,0,0|0,0,2]=4 258 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,0,2]=4 259 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [1,1,0,0,0,0|0,0,1]=3 260 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [1,1,0,0,0,0|0,0,1]=3 261 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [1,1,0,0,0,0|0,0,0]=2 268 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [1,1,0,0,0,0|0,0,0]=2 271 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [1,1,0,0,0,0|0,0,0]=2 279 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [1,1,0,0,0,0|0,0,2]=4 281 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,1,0,0,0,0|0,0,1]=3 282 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,1,0,0,0,0|0,0,1]=3 285 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,1,0,0,0,0|0,0,0]=2 286 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [1,1,0,0,0,0|0,0,2]=4 288 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [1,1,0,0,0,0|0,0,2]=4 291 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,1,0,0,0,0|0,0,0]=2 293 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,1,0,0,0,0|0,0,0]=2 294 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,1,0,0,0,0|0,0,2]=4 296 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.28 OCCC#CC1=CC=CC=C1 CNP0323944.0 [1,1,0,0,0,0|0,0,1]=3 300 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [1,1,0,0,0,0|0,1,1]=4 303 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,1,0,0,0,0|0,0,1]=3 305 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,1,0,0,0,0|0,0,2]=4 313 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,1,0,0,0,0|0,0,2]=4 315 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,1,0,0,0,0|0,0,2]=4 316 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,1,0,0,0,0|0,0,2]=4 317 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,1,0,0,0,0|0,0,2]=4 318 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [1,1,0,0,0,0|0,0,0]=2 323 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [1,1,0,0,0,0|0,0,0]=2 324 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,1,0|1,0,1]=4 326 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,1,0|0,0,2]=4 327 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,1,0|0,0,2]=4 328 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,1,0|1,0,0]=3 333 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,1,0|1,0,1]=4 334 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,1,0|1,0,1]=4 335 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,1,0|1,0,1]=4 336 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,1,0|1,0,1]=4 337 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,1,0|1,0,1]=4 338 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,1,0|1,0,0]=3 339 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,1,0|1,0,0]=3 340 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,1,0|1,0,1]=4 341 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,1,0|1,0,1]=4 342 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,1,0|1,0,0]=3 343 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,1,0|1,0,0]=3 344 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,1,0|0,0,0]=2 345 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,1,0|0,0,0]=2 346 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,1,0|1,0,1]=4 347 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,1,0|1,0,1]=4 348 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,1,0|1,0,0]=3 349 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,1,0|1,0,0]=3 351 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,1,0|0,0,0]=2 352 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,1,0|0,0,0]=2 353 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,1,0|1,0,1]=4 354 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,1,0|1,0,1]=4 355 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,1,0|1,0,1]=4 356 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,1,0|1,0,1]=4 357 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,1,0|1,0,1]=4 358 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,0,0,1,0|1,0,0]=3 359 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,0,0,1,0|2,0,0]=4 360 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,1,0|1,0,1]=4 361 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,1,0|1,0,1]=4 362 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,1,0,0,1,0|1,0,0]=3 363 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,1,0|1,0,1]=4 364 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,1,0|1,0,1]=4 365 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,1,0,0,1,0|1,0,0]=3 366 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,1,0|0,0,0]=2 367 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,1,0|1,0,1]=4 368 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,1,0|2,0,0]=4 371 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [0,1,0,0,0,1|0,0,2]=4 372 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CNP0127742.0 [0,1,0,0,0,1|1,0,1]=4 373 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CNP0463813.0 [0,1,0,0,0,1|2,0,0]=4 374 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [0,1,0,0,0,1|1,0,1]=4 375 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [0,1,0,0,0,1|1,0,1]=4 376 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [0,1,0,0,0,1|1,0,1]=4 377 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,1,0,0,0,1|1,0,1]=4 378 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [0,1,0,0,0,1|1,0,1]=4 379 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [0,1,0,0,0,1|1,0,1]=4 380 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [0,1,0,0,0,1|0,0,2]=4 381 B13R1.149 C[C@H](O)CCCC1=CC=CC(=O)O1 CNP0297745.1 [0,1,0,0,0,1|1,0,0]=3 382 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [0,1,0,0,0,1|0,0,2]=4 383 B13R1.158 CC(C)CN=CC1=CC=CC=C1O CNP0441161.0 [0,1,0,0,0,1|1,0,1]=4 384 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,1,0,0,0,1|1,0,1]=4 385 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,1,0,0,0,1|0,0,2]=4 386 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,1,0,0,0,1|0,0,2]=4 387 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,1,0,0,0,1|0,0,2]=4 388 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 CNP0319392.0 [0,1,0,0,0,1|1,0,0]=3 389 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [0,1,0,0,0,1|1,0,0]=3 390 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,1,0,0,0,1|1,0,1]=4 391 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,1,0,0,0,1|1,0,1]=4 392 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,1,0,0,0,1|0,0,2]=4 393 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [0,1,0,0,0,1|1,0,1]=4 394 B13R1.351 CC(C)[C@@H](O)C#CC1=CC=CC=C1 CNP0024623.2 [0,1,0,0,0,1|1,0,1]=4 395 B13R1.351 CC(C)[C@H](O)C#CC1=CC=CC=C1 CNP0024623.1 [0,1,0,0,0,1|1,0,1]=4 396 B13R1.351 C[C@@H](N)[C@@H](O)/C=C/C1=CC=CC=C1 CNP0287290.1 [0,1,0,0,0,1|1,0,1]=4 397 B13R1.351 C[C@H](N)[C@@H](O)/C=C/C1=CC=CC=C1 CNP0287290.3 [0,1,0,0,0,1|1,0,1]=4 398 B13R1.351 C[C@H](N)[C@H](O)/C=C/C1=CC=CC=C1 CNP0287290.2 [0,1,0,0,0,1|1,0,1]=4 399 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,1,0,0,0,1|1,0,1]=4 400 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,1,0,0,0,1|1,0,1]=4 401 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,1,0,0,0,1|1,0,1]=4 402 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,1,0,0,0,1|1,0,1]=4 403 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [0,1,0,0,0,1|0,0,2]=4 404 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [0,1,0,0,0,1|0,0,2]=4 405 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [0,1,0,0,0,1|0,0,2]=4 406 B13R1.513 CC1=CC=C(C=C1)OCCP(=O)O CNP0506132.0 [0,1,0,0,0,1|2,0,0]=4 407 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [0,1,0,0,0,1|0,0,0]=2 408 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,1,0,0,0,1|0,0,2]=4 409 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,1,0,0,0,1|0,0,2]=4 410 B13R1.718 CCC(C)CCCC1=CC=CN=C1 CNP0571629.0 [0,1,0,0,0,1|2,0,0]=4 411 B13R1.718 CCC(C)CN=CC1=CC=CC=C1 CNP0438069.0 [0,1,0,0,0,1|1,0,1]=4 412 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,1,0,0,0,1|0,0,2]=4 413 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,1,0,0,0,1|0,0,2]=4 414 B13R1.718 OCN(O)CCCC1=CC=CC=C1 CNP0505008.0 [0,1,0,0,0,1|1,0,0]=3 415 B13R1.3523 C[N+](C)(C)CCOC1=CC=CC=C1 CNP0513139.0 [0,1,0,0,0,1|2,0,0]=4 416 B13R1.3523 C[N+](C)(C)CCOC1=CC=CC=C1 CNP0530712.0 [0,1,0,0,0,1|2,0,0]=4 417 B13R1.3523 O=S(=O)(O)CCNC1=CC=CC=C1 CNP0507903.0 [0,1,0,0,0,1|2,0,0]=4 418 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,2,0,0,0,0|0,0,2]=4 419 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O CNP0310888.0 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,2,0,0,0,0|1,0,1]=4 421 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,2,0,0,0,0|0,0,2]=4 422 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,2,0,0,0,0|1,0,1]=4 423 B13R1.3 COC1=CC=C(C=C1)CCN(C)C CNP0223802.0 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [0,2,0,0,0,0|1,0,1]=4 426 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,2,0,0,0,0|0,0,2]=4 427 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,2,0,0,0,0|0,0,2]=4 428 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl CNP0028079.0 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.14 OC[C@H](O)COC1=CC=C(C=C1)O CNP0221041.1 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [0,2,0,0,0,0|0,0,2]=4 431 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [0,2,0,0,0,0|0,0,2]=4 432 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,2,0,0,0,0|1,0,1]=4 433 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,2,0,0,0,0|1,0,1]=4 434 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,2,0,0,0,0|1,0,1]=4 435 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,2,0,0,0,0|1,0,1]=4 436 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,2,0,0,0,0|1,0,1]=4 437 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [0,2,0,0,0,0|1,0,1]=4 438 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,2,0,0,0,0|0,0,2]=4 439 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,2,0,0,0,0|0,0,2]=4 440 B13R1.133 CC(O)C(O)CC1=CC=C(C=C1)O CNP0367741.0 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.133 C[C@H](O)[C@@H](O)CC1=CC=C(C=C1)O CNP0367741.2 [0,2,0,0,0,0|0,0,0]=2 442 B13R1.133 C[C@H](O)[C@H](O)CC1=CC=C(C=C1)O CNP0367741.1 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,2,0,0,0,0|1,0,1]=4 448 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,2,0,0,0,0|1,0,1]=4 449 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,2,0,0,0,0|1,0,1]=4 450 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,2,0,0,0,0|1,0,1]=4 451 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,2,0,0,0,0|1,0,1]=4 453 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,2,0,0,0,0|1,0,1]=4 454 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,2,0,0,0,0|1,0,1]=4 455 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.164 CC(C)CCC1=CC=C(C=C1O)O CNP0138668.0 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.164 CC1=C(C=CC(=O)O1)CC[C@H](C)O CNP0560288.1 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,2,0,0,0,0|1,0,1]=4 459 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [0,2,0,0,0,0|0,0,2]=4 461 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O CNP0358976.0 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.511 C[C@@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.1 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.511 C[C@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.2 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O CNP0493144.0 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O CNP0561596.0 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)[O-] CNP0267181.0 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.512 C[N+](C)([O-])CCC1=CC=C(C=C1)O CNP0576942.0 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.11 CCC(O)CC(=O)C1=CC=CC=C1 CNP0116208.0 [0,2,0,0,0,0|0,0,1]=3 471 B13R1.11 CCC(O)CC(O)C1=CC=CC=C1 CNP0116597.0 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,2,0,0,0,0|0,0,2]=4 473 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,2,0,0,0,0|0,0,2]=4 474 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,2,0,0,0,0|0,0,2]=4 475 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,2,0,0,0,0|0,0,2]=4 476 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,2,0,0,0,0|0,0,2]=4 477 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,2,0,0,0,0|0,0,2]=4 478 B13R1.11 C[C@H](CO)OC(=O)C1=CC=CC=C1 CNP0076498.1 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 CNP0507165.0 [0,2,0,0,0,0|0,0,1]=3 480 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,2,0,0,0,0|0,0,2]=4 481 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,2,0,0,0,0|0,0,2]=4 482 B13R1.42 C[C@H](CCO)CCC1=CC=CC=C1 CNP0269177.1 [0,2,0,0,0,0|0,0,0]=2 483 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,2,0,0,0,0|1,0,1]=4 484 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,2,0,0,0,0|0,0,2]=4 485 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,2,0,0,0,0|0,0,2]=4 486 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,2,0,0,0,0|0,0,2]=4 487 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,2,0,0,0,0|0,0,2]=4 488 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,2,0,0,0,0|0,0,2]=4 489 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,2,0,0,0,0|0,0,2]=4 490 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,2,0,0,0,0|0,0,2]=4 491 B13R1.135 N[C@@H](CC1=CC=CC=C1)[C@@H](O)CCl CNP0541597.1 [0,2,0,0,0,0|0,0,0]=2 492 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 CNP0003348.0 [0,2,0,0,0,0|0,0,0]=2 493 B13R1.417 CCN(CC)CCC1=CC=CC=C1 CNP0207277.0 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.417 COC(C=CC1=CC=CC=C1)OC CNP0250710.0 [0,2,0,0,0,0|0,0,2]=4 495 B13R1.417 COC(CCC1=CC=CC=C1)OC CNP0293429.0 [0,2,0,0,0,0|0,0,0]=2 496 B13R1.528 CC1=CC=CC=C1OC[C@@H](O)CO CNP0200585.1 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.528 CC1=CC=CC=C1OC[C@H](O)CO CNP0200585.2 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.148 CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0530805.1 [0,2,0,0,0,0|1,0,1]=4 499 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,2,0,0,0,0|1,0,1]=4 500 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0201266.1 [0,2,0,0,0,0|1,0,1]=4 501 B13R1.152 CC([C@H](O)C1=CC=CC=C1)N(C)C CNP0216125.1 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.4 [0,2,0,0,0,0|1,0,1]=4 503 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.1 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.2 [0,2,0,0,0,0|1,0,1]=4 505 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.3 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.152 C[C@@H]([C@@H](O)C1=CC=CC=C1)N(C)C CNP0216125.2 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C CNP0216125.3 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.3 [0,2,0,0,0,0|1,0,1]=4 509 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.4 [0,2,0,0,0,0|1,0,1]=4 510 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.1 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.2 [0,2,0,0,0,0|1,0,1]=4 512 B13R1.152 C[C@H]([C@@H](O)C1=CC=CC=C1)N(C)C CNP0216125.6 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.152 C[C@H]([C@H](O)C1=CC=CC=C1)N(C)C CNP0216125.5 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.4 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.2 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.152 N[C@H](C(=O)O)C(O)C1=CC=CC=C1 CNP0361341.1 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.3 [0,2,0,0,0,0|1,0,1]=4 518 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.5 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0214237.1 [0,2,0,0,0,0|1,0,1]=4 520 B13R1.152 O=C(O)[C@@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.3 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.152 O=C(O)[C@@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.4 [0,2,0,0,0,0|1,0,1]=4 522 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0234856.1 [0,2,0,0,0,0|1,0,1]=4 523 B13R1.152 O=C(O)[C@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.1 [0,2,0,0,0,0|1,0,1]=4 524 B13R1.152 O=C(O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.2 [0,2,0,0,0,0|1,0,1]=4 525 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.2 [0,2,0,0,0,0|1,0,1]=4 527 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.1 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.202 O=C(O)[C@@H](O)CC1=CC=CC=C1O CNP0312598.1 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.353 N[C@@H](CC1=CC=CC=C1)P(=O)(O)O CNP0096775.2 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.353 N[C@H](CC1=CC=CC=C1)P(=O)(O)O CNP0096775.1 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,2,0,0,0,0|0,0,2]=4 532 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,2,0,0,0,0|0,0,2]=4 533 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,2,0,0,0,0|1,0,1]=4 534 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,2,0,0,0,0|1,0,1]=4 535 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.418 O=C(O)[C@@H](CC1=CC=CC=C1)NO CNP0288777.1 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.418 O=C(O)[C@H](CC1=CC=CC=C1)NO CNP0288777.2 [0,2,0,0,0,0|1,0,1]=4 540 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.1073 CN(O)C(C)(C)CC1=CC=CC=C1 CNP0321369.0 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,2,0,0,0,0|1,0,1]=4 543 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,2,0,0,0,0|1,0,1]=4 544 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.1 [0,2,0,0,0,0|1,0,1]=4 545 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.2 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)O CNP0083903.0 [0,2,0,0,0,0|1,0,1]=4 547 B13R1.352 C[C@@H](C[N+](C)(C)C)C1=CC=CC=C1 CNP0602336.1 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.352 C[C@@H](C[N+](C)(C)C)C1=CC=CC=C1 CNP0602336.2 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 CNP0530045.0 [0,2,0,0,0,0|1,0,1]=4 550 B13R1.90 COC1=CC=CC=C1CCC(=O)O CNP0307963.0 [0,2,0,0,0,0|1,0,1]=4 551 B13R1.157 CC(C)(C)CCC1=CC=CC=C1O CNP0255388.0 [0,2,0,0,0,0|1,0,0]=3 552 B13R1.3787 CC1=CC=CC(=C1OC[C@@H](C)N)C CNP0106295.1 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.3787 CC1=CC=CC(=C1OC[C@H](C)N)C CNP0106295.2 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.643 CC(C)COC1=CC=CC(=C1)C=O CNP0399738.0 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,2,0,0,0,0|1,0,1]=4 556 B13R1.3420 CC(C)CCC1=CC(=CC(=O)O1)O CNP0240464.0 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)O)O CNP0301577.0 [0,2,0,0,0,0|1,0,1]=4 558 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|0,0,2]=4 559 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|0,0,2]=4 560 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [1,0,0,1,0,0|2,0,0]=4 561 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|0,0,2]=4 562 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|0,0,0]=2 563 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [1,0,0,1,0,0|1,0,0]=3 564 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,2]=4 565 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,1]=4 566 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [1,0,0,1,0,0|1,0,0]=3 568 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [1,0,0,1,0,0|1,0,0]=3 569 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|0,0,2]=4 570 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,1,0,0|0,0,2]=4 571 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|0,0,0]=2 572 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [1,0,0,1,0,0|1,0,0]=3 573 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [1,0,0,1,0,0|1,0,0]=3 574 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [1,0,0,1,0,0|1,0,0]=3 575 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [1,0,0,1,0,0|0,0,2]=4 576 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [1,0,0,1,0,0|1,0,0]=3 577 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [1,0,0,1,0,0|0,0,2]=4 579 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [1,0,0,1,0,0|0,0,2]=4 580 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [1,0,0,1,0,0|1,0,1]=4 581 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [1,0,0,1,0,0|1,0,1]=4 582 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [1,0,0,1,0,0|1,0,1]=4 583 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,1,0|0,0,2]=4 584 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,1,0|1,0,1]=4 585 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,1,1,0|1,0,0]=3 586 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,1,1,0|1,0,0]=3 587 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,1,0|1,0,1]=4 588 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,1,0|1,0,1]=4 589 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,0,0,1,1,0|1,0,0]=3 590 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,1,0|0,0,0]=2 591 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,1,0|0,0,0]=2 592 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,0,0,1,1,0|2,0,0]=4 593 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [0,0,0,1,0,1|1,0,1]=4 594 B13R2.10 CC1COC(O1)C2=CC=CC=C2 CNP0291344.0 [0,0,0,1,0,1|0,0,0]=2 595 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,0,0,1,0,1|1,0,1]=4 596 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,1|1,0,1]=4 597 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,1|1,0,1]=4 598 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,0,0,1,0,1|1,0,1]=4 599 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,0,0,1,0,1|1,0,1]=4 600 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,0,0,1,0,1|1,0,1]=4 601 B13R2.163 O[C@H]1COCC2=NC=CN=C2C1 CNP0162126.1 [0,0,0,1,0,1|2,0,0]=4 602 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,1|1,0,1]=4 603 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,1|1,0,1]=4 604 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,1|1,0,1]=4 605 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,1|1,0,1]=4 606 B13R2.3122 CC1(CN[Se]C2=CC=CC=C12)C CNP0479779.0 [0,0,0,1,0,1|2,0,0]=4 607 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [0,0,0,1,0,1|0,0,2]=4 608 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [0,0,0,1,0,1|0,0,2]=4 609 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [0,0,0,1,0,1|0,0,2]=4 610 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [0,0,0,1,0,1|0,0,2]=4 611 B13R2.155 CC1=CC=C2CCC(CC2=C1)C CNP0609610.0 [0,1,0,1,0,0|1,0,0]=3 612 B13R2.155 CN1CCC2=CC=C(C=C2C1)O CNP0477568.0 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,1,0,0|1,0,1]=4 614 B13R2.32 CC1CCC2=CC=CC=C2C1O CNP0605672.0 [0,1,0,1,0,0|0,0,0]=2 615 B13R2.32 N[C@H]1CCC2=CC=CC=C2[C@@H]1O CNP0596787.2 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.32 N[C@H]1CCC2=CC=CC=C2[C@H]1O CNP0596787.1 [0,1,0,1,0,0|1,0,0]=3 617 B13R2.32 O[C@@H]1C2=CC=CC=C2C=C[C@@H]1O CNP0225338.2 [0,1,0,1,0,0|0,0,2]=4 618 B13R2.32 O[C@H]1C=CC2=CC=CC=C2[C@@H]1O CNP0225338.1 [0,1,0,1,0,0|0,0,2]=4 619 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,1,0,1,0,0|0,0,2]=4 620 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,1,0,1,0,0|0,0,2]=4 621 B13R2.33 OC1CCC2=CC=CC=C2OC1 CNP0506592.0 [0,1,0,1,0,0|0,0,0]=2 622 B13R2.33 O[C@H]1CCC2=CC=NC=C2CC1 CNP0162663.1 [0,1,0,1,0,0|1,0,0]=3 623 B13R2.3203 OC1(NN1)CCC2=CC=CC=C2 CNP0173869.0 [0,1,0,1,0,0|1,0,0]=3 624 B13R2.359 CC1NC2=CC=CC=C2C1(C)C CNP0612028.0 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.359 C[C@]1(C(=O)NC2=CC=CC=C12)O CNP0292518.1 [0,1,0,1,0,0|1,0,1]=4 626 B13R2.369 O[C@@H]1CC2=C(CC=CC2)C[C@@H]1O CNP0310499.1 [0,1,0,1,0,0|0,0,2]=4 627 B13R2.369 O[C@@H]1CC2=C(CC=CC2)C[C@H]1O CNP0310499.2 [0,1,0,1,0,0|0,0,2]=4 628 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,1,0,1,0,0|1,0,1]=4 629 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,1,0,1,0,0|1,0,1]=4 630 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,1,0,1,0,0|1,0,1]=4 631 B13R2.328 C[C@H]1CC(=O)C2=CC=CC=C2O1 CNP0503770.1 [0,1,0,1,0,0|0,0,1]=3 632 B13R2.328 C[C@H]1C[C@@H](C2=CC=CC=C2O1)O CNP0551854.1 [0,1,0,1,0,0|0,0,0]=2 633 B13R2.328 N[C@H]1OC2=CC=CC=C2[C@@H](S1)O CNP0589068.1 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.12159 CC1(CC(C2=CC=NC=C12)O)O CNP0329154.0 [0,1,0,1,0,0|1,0,0]=3 636 B13R2.12159 CC1=C[C@@](C2=CC=CC=C12)(C)O CNP0137434.1 [0,1,0,1,0,0|0,0,2]=4 637 B13R2.12159 CC1=C[C@](C2=CC=CC=C12)(C)O CNP0137434.2 [0,1,0,1,0,0|0,0,2]=4 638 B13R2.12159 C[C@@]1(C[C@H](C2=CC=NC=C12)O)O CNP0329154.1 [0,1,0,1,0,0|1,0,0]=3 639 B13R2.222 CC1(C=CC2=CC=CC=C2O1)C CNP0201807.0 [0,1,0,1,0,0|0,0,2]=4 640 B13R2.222 CC1(CCC2=CC=CC=C2O1)C CNP0086340.0 [0,1,0,1,0,0|0,0,0]=2 641 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [0,1,0,1,0,0|0,0,2]=4 642 B13R2.5179 C[C@@H]1CC2=CC=CC(=C2CO1)O CNP0283182.1 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.5179 C[C@H]1CC2=CC=CC(=C2CO1)O CNP0283182.2 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.162 CN1CCC2=CC=CC(=C2C1)O CNP0327667.0 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.3683 CC1=CC2=NC[C@@H](CN2C=C1)O CNP0362529.1 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.3683 CC1=CC2=NC[C@H](CN2C=C1)O CNP0362529.2 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.3683 CC1=CC2=[NH+]C[C@@H](CN2C=C1)O CNP0574368.2 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.3683 CC1=CC2=[NH+]C[C@H](CN2C=C1)O CNP0574368.1 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,1,0,1,0,0|0,0,2]=4 650 B13R2.3683 CN1CCC2=CC(=CC=C2C1)O CNP0329541.0 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.3683 C[C@@H]1OCC2=CC(=CC=C2O1)O CNP0320828.1 [0,1,0,1,0,0|1,0,0]=3 652 B13R3.28 C1=C[C@@H]2O[C@@H]2C3=CC=CC=C31 CNP0083780.1 [0,0,0,2,0,0|0,0,2]=4 653 B13R3.28 C1=C[C@H]2O[C@H]2C3=CC=CC=C31 CNP0083780.2 [0,0,0,2,0,0|0,0,2]=4 654 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,1,0|1,0,0]=3 655 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,0,1,0|2,0,0]=4 656 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [1,0,0,0,1,0|2,0,0]=4 657 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [1,0,0,0,1,0|1,0,0]=3 658 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [1,0,0,0,1,0|1,0,0]=3 659 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,1,0|2,0,0]=4 660 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,0,1,0|2,0,0]=4 661 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,2,0|1,0,1]=4 662 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,2,0|0,0,2]=4 663 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,2,0|1,0,0]=3 664 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,2,0|2,0,0]=4 665 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,2,0|2,0,0]=4 666 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,2,0|2,0,0]=4 667 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,2,0|1,0,0]=3 668 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,2,0|0,0,0]=2 669 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,2,0|1,0,0]=3 670 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,2,0|0,0,0]=2 671 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,2,0|1,0,1]=4 672 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,2,0|1,0,1]=4 673 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,2,0|2,0,0]=4 674 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,2,0|2,0,0]=4 675 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,2,0|2,0,0]=4 676 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,2,0|2,0,0]=4 677 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,2,0|2,0,0]=4 678 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [1,0,0,0,0,1|0,0,2]=4 679 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [1,0,0,0,0,1|0,0,2]=4 680 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [0,0,0,0,0,2|0,0,2]=4 681 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [0,0,0,0,0,2|0,0,2]=4 682 B13R1.337 CC(C)CCN=CC1=CC=CC=C1 CNP0477012.0 [0,0,0,0,0,2|1,0,0]=3 683 B13R1.337 C[C@H](O)CC#CCC1=CC=CC=C1 CNP0166956.1 [0,0,0,0,0,2|0,0,0]=2 684 B13R1.337 O=C(O)CC=CCC1=CC=CC=C1 CNP0286082.0 [0,0,0,0,0,2|1,0,1]=4 685 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [0,0,0,0,0,2|1,0,1]=4 686 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 CNP0097941.0 [0,0,0,0,0,2|1,0,1]=4