0 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 CNP0348092.0 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,0,0,0,0,0|2,0,2]=4 25 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,0,0,0,0,0|0,0,0]=1 33 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,0,0,0,0,0|0,0,2]=3 44 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,0,0,0,0,0|1,0,2]=4 46 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,0,0,0,0,0|1,0,2]=4 47 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|0,0,0]=1 51 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|0,0,2]=3 52 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,0,0,0,0,0|0,0,2]=3 55 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|1,0,2]=4 63 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|1,0,0]=2 65 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.133 CC(=CC1=CC=C(C=C1)I)C(=O)O CNP0438539.0 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Br CNP0058879.0 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Cl CNP0065177.0 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)I CNP0050257.0 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Br CNP0032596.0 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Cl CNP0046230.0 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)I CNP0058183.0 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,1,0,0,0,0|1,0,2]=4 81 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,1,0,0,0,0|1,0,2]=4 82 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)O)O CNP0185306.0 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,0,0|1,0,2]=4 93 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,0,0|1,0,2]=4 95 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,0,0|1,0,2]=4 97 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,0,0|1,0,2]=4 98 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,1,0,0,0,0|1,0,2]=4 99 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,1,0,0,0,0|1,0,2]=4 100 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.152 CC(C)N(C)C(=O)C1=CC=CC=C1 CNP0411881.0 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.152 O=C(O)C(=C(Br)C1=CC=CC=C1)Br CNP0267224.0 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,1,0,0,0,0|1,0,2]=4 105 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,1,0,0,0,0|0,0,2]=3 107 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,1,0,0,0,0|0,0,3]=4 108 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,1,0,0,0,0|0,0,3]=4 109 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,1,0,0,0,0|1,0,2]=4 111 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,1,0,0,0,0|1,0,2]=4 112 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,1,0,0,0,0|1,0,0]=2 113 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,1,0,0,0,0|1,0,2]=4 114 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,1,0,0,0,0|1,0,2]=4 115 B13R1.418 N#CC(=CC1=CC=CC=C1)C(=O)N CNP0128787.0 [0,1,0,0,0,0|1,0,1]=3 116 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,1,0,0,0,0|1,0,2]=4 119 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,1,0,0,0,0|1,0,2]=4 120 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,1,0,0,0,0|1,0,2]=4 121 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,1,0,0,0,0|1,0,2]=4 122 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CNP0221248.0 [0,0,0,1,0,0|1,0,0]=2 123 B13R2.369 CC1=CC2=CC=CC=C2N=C1C CNP0267853.0 [0,0,0,1,0,0|1,0,0]=2 124 B13R2.369 CC1=CC2=CC=CC=C2N=C1O CNP0132288.0 [0,0,0,1,0,0|1,0,1]=3 125 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,0,0,1,0,0|1,0,0]=2 126 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,0,0,1,0,0|2,0,0]=3 127 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,0,0,1,0,0|3,0,0]=4 130 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,0,0,1,0,0|2,0,0]=3 131 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,0,0,1,0,0|2,0,0]=3 132 B13R2.369 OC1=CC2=CC=CC=C2C=C1O CNP0610143.0 [0,0,0,1,0,0|1,0,2]=4 133 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,0|1,0,2]=4 134 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,0|1,0,2]=4 135 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,0|1,0,2]=4 136 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,0|1,0,2]=4 137 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,0,0,1,0,0|0,0,0]=1 138 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CNP0524572.0 [0,0,0,1,0,0|1,0,0]=2 139 B13R2.435 N=C(N)C1=CC2=CC=CC=C2S1 CNP0483277.0 [0,0,0,1,0,0|3,0,0]=4 140 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,0,0,1,0,0|2,0,0]=3 141 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,0,0,1,0,0|2,0,0]=3 142 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,0,0,1,0,0|2,0,0]=3 143 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CNP0500150.0 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,0,0,1,0,0|2,0,1]=4 145 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,0,0,1,0,0|1,0,2]=4 146 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,0,0,1,0,0|1,0,2]=4 147 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,0,0,0,1,0|2,0,1]=4 148 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,0,0,0,1,0|1,0,0]=2 149 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,0,0,0,1,0|2,0,1]=4 150 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,0,0,0,1,0|1,0,2]=4 151 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,0,0,0,1,0|1,0,2]=4 152 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,0,0,0,1,0|1,0,1]=3 154 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,0,0,0,1,0|2,0,1]=4 155 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,0,0,0,1,0|1,0,1]=3 156 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,0,0,0,1,0|2,0,1]=4 157 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,0,0,0,1,0|2,0,0]=3 158 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,0,0,0,1,0|2,0,1]=4 159 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,0,0,0,1,0|2,0,1]=4 160 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,0,0,0,1,0|2,0,1]=4 161 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,0,0,0,1,0|2,0,1]=4 162 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,0,0,0,1,0|2,0,1]=4 163 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,0,0,0,1,0|2,0,0]=3 164 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,0,0,0,1,0|2,0,0]=3 165 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,0,0,0,1,0|2,0,1]=4 166 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,0,0,0,1,0|2,0,1]=4 167 B13R1.348 CC(=O)C=C(C)NC1=CC=CC=C1 CNP0070664.0 [0,0,0,0,0,1|1,0,0]=2 168 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,0,0,0,0,1|0,0,0]=1 169 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,0,0,0,0,1|1,0,0]=2 170 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,0,0,0,0,1|1,0,2]=4 171 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,0,0,0,0,1|0,0,2]=3 172 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,0,0,0,0,1|0,0,2]=3 173 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,0,0,0,0,1|2,0,1]=4 174 B13R1.348 NC(=O)NC(=O)OC1=CC=CC=C1 CNP0150119.0 [0,0,0,0,0,1|3,0,0]=4 175 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [0,0,0,0,0,1|3,0,0]=4 176 B13R1.351 CC(=O)C(=CNC1=CC=CC=C1)C CNP0106967.0 [0,0,0,0,0,1|0,0,0]=1 177 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,0,0,0,0,1|1,0,2]=4 178 B13R1.351 CC(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [0,0,0,0,0,1|2,0,1]=4 179 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 CNP0295050.1 [0,0,0,0,0,1|2,0,1]=4 180 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|0,0,2]=4 181 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 182 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|0,0,1]=3 183 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,0]=2 186 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,2]=4 187 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [2,0,0,0,0,0|0,0,2]=4 191 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [2,0,0,0,0,0|1,1,0]=4 192 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [2,0,0,0,0,0|0,0,1]=3 194 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [2,0,0,0,0,0|0,0,0]=2 195 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [2,0,0,0,0,0|0,0,2]=4 196 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [2,0,0,0,0,0|1,0,0]=3 197 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [2,0,0,0,0,0|0,0,1]=3 198 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [2,0,0,0,0,0|1,0,0]=3 199 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [2,0,0,0,0,0|1,1,0]=4 202 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [2,0,0,0,0,0|0,0,2]=4 203 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [2,0,0,0,0,0|1,0,1]=4 206 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [2,0,0,0,0,0|1,0,1]=4 210 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [2,0,0,0,0,0|1,0,1]=4 211 B12R0.42 CC(=O)C=CC=CC=C(C)C(=O)C CNP0480228.0 [0,1,1,0,0,0|0,0,1]=3 212 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [1,1,0,0,0,0|0,0,2]=4 213 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [1,1,0,0,0,0|0,0,2]=4 219 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [1,1,0,0,0,0|0,0,0]=2 220 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [1,1,0,0,0,0|0,0,2]=4 221 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,1,0,0,0,0|0,0,0]=2 222 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,1,0,0,0,0|0,0,2]=4 223 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,1,0,0,0,0|0,0,2]=4 224 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [1,1,0,0,0,0|0,0,1]=3 234 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [1,1,0,0,0,0|0,0,2]=4 235 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [1,1,0,0,0,0|0,0,0]=2 238 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [1,1,0,0,0,0|0,0,0]=2 239 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [1,1,0,0,0,0|0,0,2]=4 241 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|0,0,1]=3 245 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [1,1,0,0,0,0|0,0,0]=2 248 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [1,1,0,0,0,0|0,0,2]=4 249 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,1,0,0,1,0|1,0,1]=4 261 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,1,0,0,1,0|1,0,1]=4 262 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,1,0,0,1,0|1,0,1]=4 263 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,1,0,0,1,0|1,0,1]=4 264 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CNP0082491.0 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)N CNP0584804.0 [0,1,0,0,1,0|1,0,1]=4 270 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)O CNP0140626.0 [0,1,0,0,1,0|1,0,1]=4 271 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CNP0476981.0 [0,1,0,0,1,0|1,0,1]=4 272 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 CNP0021992.1 [0,1,0,0,1,0|1,0,1]=4 273 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 CNP0272279.1 [0,1,0,0,1,0|1,0,1]=4 274 B12R1.478 CC(=O)C(=CN)C1=CC=CC=C1 CNP0043428.0 [0,1,0,0,1,0|0,0,1]=3 275 B12R1.478 CC(=O)[C@@H](C#N)C1=CC=CC=C1 CNP0076616.1 [0,1,0,0,1,0|0,0,2]=4 276 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,1,0,0,1,0|1,0,0]=3 277 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,1,0,0,1,0|1,0,1]=4 278 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,1,0,0,1,0|1,0,1]=4 279 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,1,0,0,1,0|1,0,1]=4 280 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,1,0,0,1,0|1,0,1]=4 281 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,1,0,0,1,0|1,0,1]=4 282 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,1,0,0,1,0|1,0,1]=4 283 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,1,0,0,1,0|1,0,1]=4 284 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,1,0,0,1,0|1,0,1]=4 285 B12R1.478 NC(=O)[C@@H](CO)C1=CC=CC=C1 CNP0503539.1 [0,1,0,0,1,0|1,0,1]=4 286 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 CNP0185259.1 [0,1,0,0,1,0|1,0,1]=4 287 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 CNP0185259.2 [0,1,0,0,1,0|1,0,1]=4 288 B14R1.417 CC(=O)CC(O)C(=O)C1=CC=CC=C1 CNP0105514.0 [0,1,0,0,0,1|1,0,1]=4 289 B14R1.417 CC(=O)C[C@@H](O)C(=O)C1=CC=CC=C1 CNP0105514.1 [0,1,0,0,0,1|1,0,1]=4 290 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 CNP0071166.0 [0,1,0,0,0,1|2,0,0]=4 291 B14R1.549 CC(=O)N[C@@H](CO)CC1=CC=CC=C1 CNP0129737.2 [0,1,0,0,0,1|0,0,2]=4 292 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 CNP0129737.1 [0,1,0,0,0,1|0,0,2]=4 293 B14R1.549 CC[C@@H](CC1=CC=CC=C1)NC(=O)C CNP0026513.1 [0,1,0,0,0,1|0,0,2]=4 294 B14R1.549 CC[C@H](CC1=CC=CC=C1)NC(=O)C CNP0026513.2 [0,1,0,0,0,1|0,0,2]=4 295 B14R1.698 CC(=O)C=C(C)NC1=CC=C(C=C1)Br CNP0147213.0 [0,1,0,0,0,1|1,0,0]=3 296 B14R1.698 CC(=O)C=C(C)NC1=CC=C(C=C1)C CNP0054659.0 [0,1,0,0,0,1|1,0,0]=3 297 B14R1.698 CC(=O)C=C(C)NC1=CC=C(C=C1)Cl CNP0067101.0 [0,1,0,0,0,1|1,0,0]=3 298 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Cl CNP0208625.0 [0,1,0,0,0,1|2,0,0]=4 299 B14R1.743 COC(=O)C=C(C)NC1=CC=CC=C1 CNP0099886.0 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 CNP0003360.0 [0,1,0,0,0,1|0,0,2]=4 301 B14R1.5978 CC(=O)C=C(C)NC1=CC=CC(=C1)C CNP0022513.0 [0,1,0,0,0,1|1,0,0]=3 302 B14R1.5978 CC(=O)C=C(C)NC1=CC=CC(=C1)Cl CNP0227142.0 [0,1,0,0,0,1|1,0,0]=3 303 B14R1.5978 CC(=O)C=C(C)NC1=CC=CC(=C1)O CNP0062175.0 [0,1,0,0,0,1|1,0,0]=3 304 B14R1.161 O=C(O)C(=O)C=CC1=CC=CC=C1O CNP0605638.0 [0,1,0,0,0,1|2,0,0]=4 305 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O CNP0569908.1 [0,1,0,0,0,1|1,0,1]=4 306 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O CNP0569908.2 [0,1,0,0,0,1|1,0,1]=4 307 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,1|0,0,2]=4 308 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,1|0,0,2]=4 309 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,1|0,0,2]=4 310 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,1|0,0,2]=4 311 B14R1.756 CSC(=O)N(C)C=CC1=CC=CC=C1 CNP0078029.0 [0,1,0,0,0,1|1,0,0]=3 312 B14R1.756 CSC(=O)N(C)CCC1=CC=CC=C1 CNP0078296.0 [0,1,0,0,0,1|1,0,1]=4 313 B14R1.3 COC1=CC=C(C=C1)C=C(C)C(=O)O CNP0224859.0 [0,2,0,0,0,0|1,0,0]=3 314 B14R1.3 COC1=CC=C(C=C1)C=C(S)C(=O)O CNP0586939.0 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)C CNP0062043.0 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)C CNP0241632.0 [0,2,0,0,0,0|2,0,0]=4 317 B14R1.134 COC(=O)C(=CC1=CC=C(C=C1)O)O CNP0199127.0 [0,2,0,0,0,0|1,0,0]=3 318 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [0,2,0,0,0,0|0,0,2]=4 319 B14R1.134 COC(=O)[C@@H](C)NC1=CC=C(C=C1)C CNP0481771.2 [0,2,0,0,0,0|1,0,1]=4 320 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [0,2,0,0,0,0|0,0,2]=4 321 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(C=C1)C CNP0481771.1 [0,2,0,0,0,0|1,0,1]=4 322 B14R1.536 COC(=CC1=CC=C(C=C1)O)C(=O)N CNP0203167.0 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.536 N#CC(=CC1=CC=C(C=C1)Cl)C(=O)N CNP0069644.0 [0,2,0,0,0,0|1,0,1]=4 324 B14R1.536 N#CC(=CC1=CC=C(C=C1)O)C(=O)O CNP0194422.0 [0,2,0,0,0,0|1,0,1]=4 325 B14R1.686 CC(=CC1=CC=C(C(=C1)O)O)C(=O)O CNP0080811.0 [0,2,0,0,0,0|1,0,0]=3 326 B14R1.686 O=C(O)C(=CC1=CC=C(C(=C1)O)O)O CNP0487192.0 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.135 COC(=O)[C@@H](C)NC1=CC=CC(=C1)Br CNP0482696.2 [0,2,0,0,0,0|1,0,1]=4 330 B14R1.135 COC(=O)[C@@H](C)NC1=CC=CC(=C1)C CNP0521176.2 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.135 COC(=O)[C@H](C)NC1=CC=CC(=C1)Br CNP0482696.1 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.135 COC(=O)[C@H](C)NC1=CC=CC(=C1)C CNP0521176.1 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.1031 CC[C@@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.2 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.1031 CC[C@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.1 [0,2,0,0,0,0|1,0,1]=4 335 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.2 [0,2,0,0,0,0|0,0,2]=4 336 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.1 [0,2,0,0,0,0|0,0,2]=4 337 B14R1.1107 COC(=O)C(C)(C)CC1=CC=CC=C1 CNP0023760.0 [0,2,0,0,0,0|0,0,2]=4 338 B14R1.150 CC(=C(C)C1=CC=CC(=C1)C)C(=O)O CNP0451332.0 [0,2,0,0,0,0|1,0,0]=3 339 B14R1.542 N#CC(=CC1=CC=CC(=C1)O)C(=O)O CNP0121003.0 [0,2,0,0,0,0|1,0,1]=4 340 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CNP0179026.0 [0,2,0,0,0,0|0,0,2]=4 341 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [1,0,0,1,0,0|0,0,1]=3 342 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [1,0,0,1,0,0|1,0,0]=3 343 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [1,0,0,1,0,0|0,0,2]=4 344 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [1,0,0,1,0,0|0,0,2]=4 345 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [1,0,0,1,0,0|0,0,2]=4 346 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [1,0,0,1,0,0|0,0,2]=4 347 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [1,0,0,1,0,0|2,0,0]=4 348 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [1,0,0,1,0,0|2,0,0]=4 349 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [1,0,0,1,0,0|1,0,1]=4 350 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [1,0,0,1,0,0|0,0,1]=3 351 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [1,0,0,1,0,0|1,0,1]=4 352 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [1,0,0,1,0,0|1,0,1]=4 353 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [1,0,0,1,0,0|1,0,1]=4 354 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [1,0,0,1,0,0|1,0,1]=4 355 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [1,0,0,1,0,0|1,0,0]=3 356 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [1,0,0,1,0,0|1,0,1]=4 359 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [1,0,0,1,0,0|1,0,1]=4 360 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [1,0,0,1,0,0|1,0,1]=4 362 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [1,0,0,1,0,0|1,0,1]=4 364 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [1,0,0,1,0,0|0,0,1]=3 365 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [1,0,0,1,0,0|1,0,1]=4 366 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [1,0,0,1,0,0|1,0,0]=3 367 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [1,0,0,1,0,0|1,0,1]=4 368 B12R2.100 CC1=CC2=C(C=C1C)OC=C2 CNP0161352.0 [0,0,0,1,1,0|2,0,0]=4 369 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,1|1,0,1]=4 370 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,1|0,0,2]=4 371 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,1|0,0,2]=4 372 B14R2.598 CC1=NN(C(=C1)C)C2=CC=CC=C2 CNP0405799.0 [0,0,0,1,0,1|2,0,0]=4 373 B14R2.642 CC(=O)N1C(=O)OC2=CC=CC=C12 CNP0071114.0 [0,0,0,1,0,1|2,0,0]=4 374 B14R2.642 CC(=O)N1C2=CC=CC=C2C[C@@H]1C CNP0052848.1 [0,0,0,1,0,1|0,0,2]=4 375 B14R2.642 CC(=O)N1C2=CC=CC=C2C[C@H]1C CNP0052848.2 [0,0,0,1,0,1|0,0,2]=4 376 B14R2.738 CC1=NC2=CC=CC=C2N=C(C1)C CNP0258064.0 [0,0,0,1,0,1|2,0,0]=4 377 B14R2.768 NC(=O)CC1=CC2=CC=CC=C2N1 CNP0484959.0 [0,0,0,1,0,1|2,0,0]=4 378 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 CNP0583144.0 [0,0,0,1,0,1|2,0,0]=4 379 B14R2.260 O=C1N=C(SC1=O)C2=CC=CC=C2 CNP0474727.0 [0,0,0,1,0,1|2,0,0]=4 380 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O CNP0042113.0 [0,0,0,1,0,1|2,0,0]=4 381 B14R2.781 CC(=O)C1=CC2=CC=NC=C2C=N1 CNP0259406.0 [0,0,0,1,0,1|1,0,1]=4 382 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0163282.0 [0,0,0,1,0,1|0,0,1]=3 383 B14R2.781 CC(=O)N1CCC2=CC=CC=C2C1 CNP0009865.0 [0,0,0,1,0,1|1,0,1]=4 384 B14R2.781 NC(=O)C1=CN=C2C=CC=CC2=C1 CNP0181073.0 [0,0,0,1,0,1|1,0,1]=4 385 B14R2.781 NC(=O)C1=CN=C2C=CC=CC2=N1 CNP0040211.0 [0,0,0,1,0,1|2,0,0]=4 386 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 CNP0083467.0 [0,0,0,1,0,1|1,0,1]=4 387 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 CNP0097420.0 [0,0,0,1,0,1|2,0,0]=4 388 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=C1 CNP0507176.0 [0,0,0,1,0,1|1,0,1]=4 389 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 CNP0212397.0 [0,0,0,1,0,1|2,0,0]=4 390 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 CNP0513879.0 [0,0,0,1,0,1|1,0,1]=4 391 B14R2.4529 C=C(C)C1=CC2=CC=C(C=C2O1)O CNP0526112.0 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)Cl CNP0340466.0 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)O CNP0609129.0 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2O1)Br CNP0463700.0 [0,1,0,1,0,0|2,0,0]=4 395 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CNP0575573.0 [0,1,0,1,0,0|2,0,0]=4 396 B14R2.8239 CC1=CC2=CC=C(C=C2OC1=O)O CNP0245727.0 [0,1,0,1,0,0|1,0,0]=3 397 B14R2.8239 CC1=CC=C2C=C(C(=CC2=C1)C)C CNP0159718.0 [0,1,0,1,0,0|1,0,0]=3 398 B14R2.8239 O=C1OC2=CC(=CC=C2C=C1O)O CNP0410081.0 [0,1,0,1,0,0|2,0,0]=4 399 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 CNP0071140.0 [0,1,0,1,0,0|1,0,1]=4 400 B14R2.972 CNC(=O)C1=CC2=CC=CC=C2N1 CNP0429248.0 [0,1,0,1,0,0|1,0,0]=3 401 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 CNP0358811.0 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CBr CNP0063133.0 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CCl CNP0202766.0 [0,1,0,1,0,0|1,0,0]=3 404 B14R2.1128 CC1=NC2=CC=CC=C2N=C1C=O CNP0508295.0 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O CNP0565978.0 [0,1,0,1,0,0|0,0,2]=4 406 B14R2.1128 COC1=CC2=CC=CC=C2OC1=O CNP0191557.0 [0,1,0,1,0,0|1,0,0]=3 407 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O CNP0385602.0 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O CNP0373883.0 [0,1,0,1,0,0|1,0,1]=4 409 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,1,0,1,0,0|0,0,2]=4 410 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,1,0,1,0,0|1,0,1]=4 411 B14R2.8188 CC1=C(C(=O)C2=CC=CC=C2N1)C CNP0174314.0 [0,1,0,1,0,0|1,0,0]=3 412 B14R2.8188 CC1=C(C2=CC=CC=C2OC1=O)O CNP0333808.0 [0,1,0,1,0,0|1,0,0]=3 413 B14R2.8188 CC1=C(OC2=CC=CC=C2C1=O)O CNP0071048.0 [0,1,0,1,0,0|1,0,1]=4 414 B14R2.8188 CC1=CC2=CC=CC=C2C(=C1C)Br CNP0065862.0 [0,1,0,1,0,0|1,0,0]=3 415 B14R2.8188 CC1=CC2=NC=CC=C2C(=C1O)C CNP0284419.0 [0,1,0,1,0,0|1,0,1]=4 416 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1O)O CNP0263942.0 [0,1,0,1,0,0|2,0,0]=4 417 B14R2.8188 O=C1NC2=CC=CC=C2C(=C1O)O CNP0343165.0 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.8188 O=C1OC2=CC=CC=C2C(=C1Br)O CNP0451403.0 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.28472 CC1=CC2=CC=CC(=C2C=C1C)C CNP0265529.0 [0,1,0,1,0,0|1,0,0]=3 420 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1C)C CNP0320200.0 [0,1,0,1,0,0|1,0,0]=3 421 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1O)O CNP0085136.0 [0,1,0,1,0,0|1,0,1]=4 422 B14R2.450 CC(=O)C1=C(C2=CC=CC=C2N1)C CNP0128213.0 [0,1,0,1,0,0|1,0,0]=3 423 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CNP0353602.0 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O CNP0476209.0 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.450 CN1C(=CC2=CC=CC=C12)C(=O)O CNP0075697.0 [0,1,0,1,0,0|1,0,0]=3 426 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,0,0,0,1,0|0,0,1]=3 427 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,0,0,0,1,0|0,0,2]=4 428 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,0,0,0,1,0|1,0,1]=4 429 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,0,0,0,1,0|1,0,1]=4 430 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,0,0,0,1,0|0,0,1]=3 431 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,0,0,0,1,0|0,0,0]=2 432 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,0,0,0,1,0|1,0,1]=4 433 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,0,0,0,1,0|0,0,2]=4 434 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,0,0,0,1,0|1,0,0]=3 435 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,0,0,0,1,0|2,0,0]=4 436 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,0,0,0,1,0|1,0,1]=4 437 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,0,0,0,1,0|2,0,0]=4 438 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,0,0,0,1,0|1,0,1]=4 439 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,0,0,1,0|1,0,0]=3 441 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,0,0,0,1,0|1,0,1]=4 442 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,0,0,0,1,0|1,0,1]=4 443 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [1,0,0,0,1,0|1,0,0]=3 444 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [1,0,0,0,1,0|1,0,0]=3 445 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [1,0,0,0,1,0|1,0,0]=3 446 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [1,0,0,0,1,0|2,0,0]=4 447 B10R1.66 NC(=O)C=CC1=CNC=C1 CNP0558804.0 [1,0,0,0,1,0|2,0,0]=4 448 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [1,0,0,0,1,0|2,0,0]=4 449 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [1,0,0,0,1,0|2,0,0]=4 450 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,0,0,0,2,0|2,0,0]=4 452 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,0,0,0,2,0|2,0,0]=4 453 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,0,0,0,0,1|1,0,1]=4 454 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [1,0,0,0,0,1|1,0,0]=3 455 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,0,0,0,0,1|0,0,2]=4 456 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,0,0,0,0,1|0,0,2]=4 457 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [1,0,0,0,0,1|1,0,0]=3 458 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [1,0,0,0,0,1|2,0,0]=4 459 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [1,0,0,0,0,1|1,0,0]=3 460 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [1,0,0,0,0,1|2,0,0]=4 461 B14R1.423 CC(=NNC(=O)N)CC1=CC=CC=C1 CNP0111079.0 [0,0,0,0,0,2|1,0,1]=4 462 B14R1.818 CC(=CC(=O)O)C=CC1=CC=CC=C1 CNP0513009.0 [0,0,0,0,0,2|1,0,0]=3 463 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,0,0,0,0,2|1,0,1]=4 464 B14R1.818 CC(=O)CC(C)OCC1=CC=CC=C1 CNP0184746.0 [0,0,0,0,0,2|0,0,2]=4 465 B14R1.818 CC(=O)O[C@H](C)CCC1=CC=CC=C1 CNP0146654.1 [0,0,0,0,0,2|0,0,2]=4 466 B14R1.6449 CC(=CC=CC1=CC=CC=C1)C(=O)O CNP0472457.0 [0,0,0,0,0,2|1,0,0]=3 467 B14R1.6449 CC(=O)C(C)NCCC1=CC=CC=C1 CNP0204331.0 [0,0,0,0,0,2|0,0,2]=4