0 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,0,0,0,0,0|0,0,2]=2 15 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [0,0,0,0,0,0|1,0,1]=2 19 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,0,0,0,0,0|0,0,0]=0 20 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [0,0,0,0,0,0|0,0,2]=2 21 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O CNP0307488.2 [0,0,0,0,0,0|0,0,2]=2 24 B12R1.43 N[C@@H](CC1C=CC=CC1)C(=O)O CNP0486521.1 [0,0,0,0,0,0|0,0,2]=2 25 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,0,0,0,0,0|0,0,0]=0 27 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,0,0,0,0,0|1,0,0]=1 28 B12R1.43 N[C@H](CC1=CCC=CC1)C(=O)O CNP0307488.1 [0,0,0,0,0,0|0,0,2]=2 29 B12R1.43 N[C@H](CC1C=CCC=C1)C(=O)O CNP0412664.1 [0,0,0,0,0,0|0,0,2]=2 30 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,0,0,0,0,0|1,0,2]=3 31 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,0,0,0,0,0|1,0,2]=3 32 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,0,0,0,0,0|1,0,1]=2 35 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,0,0,0,0,0|1,0,0]=1 36 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,0,0,0,0,0|1,0,0]=1 37 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [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|1,0,0]=2 44 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,0,0,0,0,0|0,0,0]=1 46 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,0,0,0,0,0|0,0,0]=1 47 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,0,0,0,0,0|0,0,0]=1 48 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,0,0,0,0,0|0,0,0]=1 49 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [1,0,0,0,0,0|0,0,1]=2 50 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [1,0,0,0,0,0|0,0,1]=2 51 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [1,0,0,0,0,0|1,0,1]=3 55 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,0,0,0,0,0|1,0,1]=3 64 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|1,0,2]=4 65 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [1,0,0,0,0,0|2,1,0]=4 70 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|0,0,2]=3 73 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|0,0,2]=3 74 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,0,0,0,0,0|1,0,2]=4 75 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|0,0,0]=1 76 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,0,0,0,0,0|1,0,1]=3 80 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [1,0,0,0,0,0|1,0,1]=3 81 B13R1.133 CC(=CC1=CC=C(C=C1)I)C(=O)O CNP0438539.0 [0,1,0,0,0,0|1,0,2]=4 82 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.133 CC(O)C(O)CC1=CC=C(C=C1)O CNP0367741.0 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.133 C[C@H](O)[C@@H](O)CC1=CC=C(C=C1)O CNP0367741.2 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.133 C[C@H](O)[C@H](O)CC1=CC=C(C=C1)O CNP0367741.1 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,1,0,0,0,0|0,0,2]=3 91 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.133 NC(CC1=CNC(=O)C=C1)C(=O)O CNP0485960.0 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,1,0,0,0,0|0,0,0]=1 95 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,1,0,0,0,0|0,0,0]=1 98 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,1,0,0,0,0|0,0,0]=1 99 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,1,0,0,0,0|0,0,0]=1 100 B13R1.133 N[C@@H](CC1=CC=C(C=N1)O)C(=O)O CNP0228825.1 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.133 N[C@@H](CC1=CC=C(N=C1)O)C(=O)O CNP0202206.1 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,1,0,0,0,0|0,0,0]=1 104 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,1,0,0,0,0|0,0,0]=1 105 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)O)O CNP0185306.0 [0,1,0,0,0,0|1,0,2]=4 107 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,1,0,0,0,0|0,0,2]=3 113 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,0|1,0,1]=3 114 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,0,0|0,0,0]=1 116 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,0,0|0,0,0]=1 120 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.135 N[C@@H](CC1=CC=CC=C1)[C@@H](O)CCl CNP0541597.1 [0,1,0,0,0,0|1,0,1]=3 124 B13R1.148 CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0530805.1 [0,1,0,0,0,0|0,0,0]=1 125 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.148 N=C1N=C(C=CN1)C[C@H](N)C(=O)O CNP0479244.1 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.148 NC1=NC=CC(=N1)C[C@H](N)C(=O)O CNP0237059.1 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0201266.1 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,1,0,0,0,0|1,0,1]=3 130 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.4 [0,1,0,0,0,0|0,0,0]=1 131 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.1 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.2 [0,1,0,0,0,0|0,0,0]=1 133 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.3 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.3 [0,1,0,0,0,0|0,0,0]=1 135 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.4 [0,1,0,0,0,0|1,0,0]=2 136 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.1 [0,1,0,0,0,0|0,0,0]=1 137 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.2 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.4 [0,1,0,0,0,0|0,0,0]=1 139 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.2 [0,1,0,0,0,0|0,0,0]=1 140 B13R1.152 N[C@H](C(=O)O)C(O)C1=CC=CC=C1 CNP0361341.1 [0,1,0,0,0,0|0,0,0]=1 141 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.3 [0,1,0,0,0,0|0,0,0]=1 142 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.5 [0,1,0,0,0,0|0,0,0]=1 143 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0214237.1 [0,1,0,0,0,0|1,0,0]=2 144 B13R1.152 O=C(O)C(=C(Br)C1=CC=CC=C1)Br CNP0267224.0 [0,1,0,0,0,0|1,0,2]=4 145 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,1,0,0,0,0|1,0,1]=3 146 B13R1.152 O=C(O)[C@@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.3 [0,1,0,0,0,0|1,0,0]=2 147 B13R1.152 O=C(O)[C@@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.4 [0,1,0,0,0,0|1,0,0]=2 148 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0234856.1 [0,1,0,0,0,0|1,0,0]=2 149 B13R1.152 O=C(O)[C@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.1 [0,1,0,0,0,0|1,0,0]=2 150 B13R1.152 O=C(O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.2 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.2 [0,1,0,0,0,0|0,0,0]=1 153 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.1 [0,1,0,0,0,0|0,0,0]=1 154 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,1,0,0,0,0|1,0,1]=3 155 B13R1.202 O=C(O)[C@@H](O)CC1=CC=CC=C1O CNP0312598.1 [0,1,0,0,0,0|1,0,0]=2 156 B13R1.353 N[C@@H](CC1=CC=CC=C1)P(=O)(O)O CNP0096775.2 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.353 N[C@H](CC1=CC=CC=C1)P(=O)(O)O CNP0096775.1 [0,1,0,0,0,0|1,0,0]=2 158 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,1,0,0,0,0|1,0,1]=3 159 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,1,0,0,0,0|2,0,0]=3 160 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,1,0,0,0,0|1,0,2]=4 162 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,1,0,0,0,0|0,0,0]=1 163 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,1,0,0,0,0|0,0,0]=1 164 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,1,0,0,0,0|1,0,2]=4 165 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,1,0,0,0,0|1,0,0]=2 166 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,1,0,0,0,0|1,0,0]=2 167 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,1,0,0,0,0|1,0,2]=4 168 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,1,0,0,0,0|0,0,2]=3 169 B13R1.418 O=C(O)[C@@H](CC1=CC=CC=C1)NO CNP0288777.1 [0,1,0,0,0,0|0,0,0]=1 170 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,1,0,0,0,0|1,0,0]=2 171 B13R1.418 O=C(O)[C@H](CC1=CC=CC=C1)NO CNP0288777.2 [0,1,0,0,0,0|0,0,0]=1 172 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,1,0,0,0,0|1,0,0]=2 173 B13R1.1073 CN(O)C(C)(C)CC1=CC=CC=C1 CNP0321369.0 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,1,0,0,0,0|0,0,0]=1 175 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,1,0,0,0,0|0,0,0]=1 176 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,0,0,1,0,0|1,0,2]=4 177 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,0,0,1,0,0|0,0,2]=3 178 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,0,0,1,0,0|2,0,1]=4 179 B13R2.369 O=C1NC2=CC=CC=C2O[C@H]1O CNP0291912.1 [0,0,0,1,0,0|3,0,0]=4 180 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,0,0,1,0,0|1,0,2]=4 181 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,0,0,1,0,0|1,0,2]=4 182 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,0|1,0,0]=2 183 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,0|1,0,0]=2 184 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,0|1,0,0]=2 185 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,0|1,0,0]=2 186 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,0,0,1,0,0|2,0,1]=4 187 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,0,0,1,0,0|0,0,2]=3 188 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,0,0,1,0,0|1,0,2]=4 189 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,0,0,1,0,0|1,0,2]=4 190 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CNP0500150.0 [0,0,0,1,0,0|1,0,1]=3 191 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,0,0,1,0,0|0,0,0]=1 192 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,0,0,1,0,0|1,0,0]=2 193 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,0,0,1,0,0|1,0,0]=2 194 B11R1.35 CC(CC1=CNC=N1)C(=O)O CNP0226071.0 [0,0,0,0,1,0|3,0,0]=4 195 B11R1.35 N=C(O)[C@@H](N)CC1=CN=CN1 CNP0469484.1 [0,0,0,0,1,0|3,0,0]=4 196 B11R1.35 NC(=O)C(N)CC1=CN=CN1 CNP0554963.0 [0,0,0,0,1,0|3,0,0]=4 197 B11R1.35 NC(CC1=CCCS1)C(=O)O CNP0145161.0 [0,0,0,0,1,0|1,0,2]=4 198 B11R1.35 NC(CC1=NC=CN1)C(=O)O CNP0110226.0 [0,0,0,0,1,0|2,0,0]=3 199 B11R1.35 NC(CC1=NC=CS1)C(=O)O CNP0336095.0 [0,0,0,0,1,0|2,0,0]=3 200 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,0,0,0,1,0|1,0,0]=2 201 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O CNP0584490.2 [0,0,0,0,1,0|2,0,0]=3 202 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O CNP0161367.1 [0,0,0,0,1,0|2,0,0]=3 203 B11R1.35 N[C@@H](CC1=NC=CN1)C(=O)O CNP0110226.1 [0,0,0,0,1,0|2,0,0]=3 204 B11R1.35 N[C@@H](CN1C=CC=C1)C(=O)O CNP0507224.1 [0,0,0,0,1,0|1,0,0]=2 205 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O CNP0296227.1 [0,0,0,0,1,0|2,0,0]=3 206 B11R1.35 N[C@@H](CN1C=NC=N1)C(=O)O CNP0574663.1 [0,0,0,0,1,0|3,0,0]=4 207 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,0,0,0,1,0|1,0,0]=2 208 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O CNP0584490.1 [0,0,0,0,1,0|2,0,0]=3 209 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O CNP0161367.2 [0,0,0,0,1,0|2,0,0]=3 210 B11R1.35 N[C@H](CC1=NC=NN1)C(=O)O CNP0217181.1 [0,0,0,0,1,0|3,0,0]=4 211 B11R1.35 N[C@H](CC1=NNC=N1)C(=O)O CNP0519708.1 [0,0,0,0,1,0|3,0,0]=4 212 B11R1.35 N[C@H](CN1C=CC=C1)C(=O)O CNP0507224.2 [0,0,0,0,1,0|1,0,0]=2 213 B11R1.35 N[C@H](CN1C=CC=N1)C(=O)O CNP0296227.2 [0,0,0,0,1,0|2,0,0]=3 214 B11R1.35 N[C@H](CN1C=NC=N1)C(=O)O CNP0574663.2 [0,0,0,0,1,0|3,0,0]=4 215 B11R1.35 O=C(O)C(O)CC1=CNC=N1 CNP0534180.0 [0,0,0,0,1,0|3,0,0]=4 216 B11R1.35 O=C(O)C(O)CN1C=CN=C1 CNP0041361.0 [0,0,0,0,1,0|3,0,0]=4 217 B11R1.35 O=C(O)[C@@H](O)CC1=CN=CN1 CNP0195524.1 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,0,0,0,1,0|3,0,0]=4 219 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,0,0,0,1,0|2,0,1]=4 220 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,0,0,0,1,0|1,0,0]=2 221 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,0,0,0,1,0|2,0,1]=4 222 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,0,0,0,1,0|2,0,1]=4 223 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,0,0,0,1,0|1,0,0]=2 224 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,0,0,0,1,0|2,0,1]=4 225 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,0,0,0,1,0|2,0,1]=4 226 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,0,0,0,1,0|2,0,1]=4 227 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,0,0,0,1,0|1,0,0]=2 228 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,0,0,0,1,0|1,0,0]=2 229 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,0,0,0,1,0|2,0,0]=3 230 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,0,0,0,1,0|0,0,0]=1 231 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,0,0,0,1,0|1,0,0]=2 232 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,0,0,0,1,0|0,0,0]=1 233 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,0,0,0,1,0|1,0,0]=2 234 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,0,0,0,1,0|2,0,1]=4 235 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,0,0,0,1,0|1,0,1]=3 236 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,0,0,0,1,0|1,0,0]=2 237 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,0,0,0,1,0|1,0,0]=2 238 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,0,0,0,0,1|2,0,0]=3 239 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,0,0,0,0,1|2,0,0]=3 240 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,0,0,0,0,1|2,0,0]=3 241 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,0,0,0,0,1|2,0,1]=4 242 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,0,0,0,0,1|0,0,0]=1 243 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NN=N1 CNP0252040.1 [0,0,0,0,0,1|3,0,0]=4 244 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [0,0,0,0,0,1|2,0,1]=4 245 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,0,0,0,0,1|1,0,0]=2 246 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,0,0,0,0,1|0,0,0]=1 247 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,0,0,0,0,1|0,0,0]=1 248 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,0,0,0,0,1|0,0,0]=1 249 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=N1 CNP0478013.0 [0,0,0,0,0,1|2,0,1]=4 250 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,0,0,0,0,1|1,0,0]=2 251 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|1,0,0]=3 252 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [2,0,0,0,0,0|1,0,0]=3 253 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [2,0,0,0,0,0|1,0,1]=4 257 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [2,0,0,0,0,0|1,0,1]=4 262 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,2]=4 265 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,0]=2 266 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,0]=3 267 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [2,0,0,0,0,0|0,0,1]=3 270 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [2,0,0,0,0,0|1,0,1]=4 272 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [2,0,0,0,0,0|1,0,1]=4 273 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [2,0,0,0,0,0|1,1,0]=4 274 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [2,0,0,0,0,0|1,0,1]=4 275 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [2,0,0,0,0,0|1,0,1]=4 276 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [2,0,0,0,0,0|0,0,1]=3 278 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [2,0,0,0,0,0|0,0,1]=3 279 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [2,0,0,0,0,0|1,0,1]=4 280 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [2,0,0,0,0,0|0,0,1]=3 281 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [2,0,0,0,0,0|1,0,1]=4 283 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [2,0,0,0,0,0|1,0,1]=4 287 B12R0.166 C=CC=C(C=CN)CC(C)C(=O)O CNP0386482.0 [0,1,1,0,0,0|1,0,0]=3 288 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.34 CC(C1=CC=CC=C1)C(N)C=O CNP0518505.1 [1,1,0,0,0,0|0,0,0]=2 291 B12R1.34 C[C@@H](C1=CC=CC=C1)N(C)C=O CNP0565966.1 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [1,1,0,0,0,0|0,0,1]=3 294 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [1,1,0,0,0,0|0,0,0]=2 295 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [1,1,0,0,0,0|0,0,1]=3 296 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.194 CC(C)(CC1=CC=CC=C1)NO CNP0387326.0 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,1,0,0,0,0|0,0,2]=4 304 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,1,0,0,0,0|0,0,0]=2 305 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [1,1,0,0,0,0|1,0,1]=4 307 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [1,1,0,0,0,0|1,0,0]=3 308 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [1,1,0,0,0,0|0,0,0]=2 310 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [1,1,0,0,0,0|0,0,2]=4 311 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [1,1,0,0,0,0|0,0,2]=4 312 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,1,0,0,0,0|0,0,2]=4 313 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,1,0,0,0,0|0,0,0]=2 314 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [1,1,0,0,0,0|0,0,2]=4 324 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [1,1,0,0,0,0|0,0,0]=2 325 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [1,1,0,0,0,0|1,1,0]=4 326 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [1,1,0,0,0,0|0,0,2]=4 329 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [1,1,0,0,0,0|0,0,0]=2 336 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [1,1,0,0,0,0|1,1,0]=4 337 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [1,1,0,0,0,0|0,0,0]=2 338 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [1,1,0,0,0,0|0,0,0]=2 340 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [1,1,0,0,0,0|0,0,0]=2 342 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [1,1,0,0,0,0|0,0,2]=4 348 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [1,1,0,0,0,0|0,0,2]=4 350 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [1,1,0,0,0,0|0,0,2]=4 351 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [1,1,0,0,0,0|0,0,2]=4 352 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [1,1,0,0,0,0|0,0,0]=2 353 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [1,1,0,0,0,0|0,0,2]=4 356 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [1,1,0,0,0,0|0,0,2]=4 357 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [1,1,0,0,0,0|0,0,2]=4 358 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [1,1,0,0,0,0|0,0,0]=2 359 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.226 O=C(O)CSC1=CC=CC(=N1)Cl CNP0286786.0 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [1,1,0,0,0,0|1,0,1]=4 362 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.104 CC1=CN(N=C1)C[C@@H](N)C(=O)O CNP0511830.1 [0,1,0,0,1,0|2,0,0]=4 364 B12R1.104 CC1=CN(N=C1)C[C@H](N)C(=O)O CNP0511830.2 [0,1,0,0,1,0|2,0,0]=4 365 B12R1.104 CN1C=NC(=C1)C[C@@H](N)C(=O)O CNP0314068.2 [0,1,0,0,1,0|2,0,0]=4 366 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O CNP0314068.1 [0,1,0,0,1,0|2,0,0]=4 367 B12R1.104 N[C@@H](CN1C=CC(=O)O1)C(=O)O CNP0240279.1 [0,1,0,0,1,0|2,0,0]=4 368 B12R1.108 COC(=O)[C@@H](N)CC1=CN=CN1 CNP0532069.2 [0,1,0,0,1,0|2,0,0]=4 369 B12R1.108 COC(=O)[C@@H](N)CN1C=CN=C1 CNP0514777.1 [0,1,0,0,1,0|2,0,0]=4 370 B12R1.108 COC(=O)[C@H](N)CC1=CN=CN1 CNP0532069.1 [0,1,0,0,1,0|2,0,0]=4 371 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 CNP0119120.1 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.108 COC(=O)[C@H](N)CN1C=CN=C1 CNP0514777.2 [0,1,0,0,1,0|2,0,0]=4 373 B12R1.120 N[C@H](C(=O)O)[C@H](O)C1=CN=CN1 CNP0264021.1 [0,1,0,0,1,0|2,0,0]=4 374 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O CNP0255597.2 [0,1,0,0,1,0|2,0,0]=4 375 B12R1.145 CN1C=NC=C1C[C@H](N)C(=O)O CNP0255597.1 [0,1,0,0,1,0|2,0,0]=4 376 B12R1.145 N[C@@H](CC1=CNOC1=O)C(=O)O CNP0273050.1 [0,1,0,0,1,0|2,0,0]=4 377 B12R1.145 N[C@@H](CC1=CONC1=O)C(=O)O CNP0343282.2 [0,1,0,0,1,0|2,0,0]=4 378 B12R1.145 N[C@H](CC1=CONC1=O)C(=O)O CNP0343282.1 [0,1,0,0,1,0|2,0,0]=4 379 B12R1.298 CN[C@@H](CC1=CN=CN1)C(=O)O CNP0539049.1 [0,1,0,0,1,0|2,0,0]=4 380 B12R1.1373 CC(N)(CC1=CN=CN1)C(=O)O CNP0215942.0 [0,1,0,0,1,0|2,0,0]=4 381 B12R1.1373 CC(N)(CC1=NC=CN1)C(=O)O CNP0222036.0 [0,1,0,0,1,0|2,0,0]=4 382 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,1,0,0,1,0|2,0,0]=4 383 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,1,0,0,1,0|1,0,0]=3 384 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,1,0,0,1,0|1,0,0]=3 385 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,1,0,0,1,0|1,0,0]=3 386 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,1,0,0,1,0|1,0,0]=3 387 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,1,0,0,1,0|1,0,0]=3 388 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,1,0,0,1,0|1,0,0]=3 389 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,1,0,0,1,0|0,0,0]=2 390 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,1,0,0,1,0|0,0,0]=2 391 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,1,0,0,1,0|1,0,1]=4 392 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,1,0,0,1,0|1,0,0]=3 393 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,1,0,0,1,0|1,0,0]=3 394 B12R1.124 CC1=CC=CC=C1[C@@H](O)C(=O)O CNP0017568.1 [0,1,0,0,1,0|1,0,0]=3 395 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CNP0082491.0 [0,1,0,0,1,0|1,0,1]=4 396 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.2 [0,1,0,0,1,0|0,0,0]=2 397 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Br CNP0577696.1 [0,1,0,0,1,0|0,0,0]=2 398 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)N CNP0584804.0 [0,1,0,0,1,0|1,0,0]=3 399 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)O CNP0140626.0 [0,1,0,0,1,0|1,0,0]=3 400 B12R1.225 CC1=CC=CC(=C1)[C@@H](N)C(=O)O CNP0581273.1 [0,1,0,0,1,0|0,0,0]=2 401 B12R1.225 CC1=CC=CC(=C1)[C@H](N)C(=O)O CNP0581273.2 [0,1,0,0,1,0|0,0,0]=2 402 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.1 [0,1,0,0,1,0|0,0,0]=2 403 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.2 [0,1,0,0,1,0|0,0,0]=2 404 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)O CNP0183373.1 [0,1,0,0,1,0|0,0,0]=2 405 B12R1.225 O=C(O)[C@@H](O)C1=CC=CC(=C1)O CNP0133718.2 [0,1,0,0,1,0|1,0,0]=3 406 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(=C1)O CNP0133718.1 [0,1,0,0,1,0|1,0,0]=3 407 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CNP0476981.0 [0,1,0,0,1,0|1,0,0]=3 408 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 CNP0021992.1 [0,1,0,0,1,0|1,0,0]=3 409 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 CNP0272279.1 [0,1,0,0,1,0|0,0,0]=2 410 B12R1.478 CC(=O)C(=CN)C1=CC=CC=C1 CNP0043428.0 [0,1,0,0,1,0|1,0,1]=4 411 B12R1.478 CC(=O)[C@@H](C#N)C1=CC=CC=C1 CNP0076616.1 [0,1,0,0,1,0|1,0,1]=4 412 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,1,0,0,1,0|1,0,1]=4 413 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,1,0,0,1,0|2,0,0]=4 414 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,1,0,0,1,0|1,0,0]=3 415 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,1,0,0,1,0|1,0,0]=3 416 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,1,0,0,1,0|0,0,0]=2 417 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CN=C1 CNP0487776.2 [0,1,0,0,1,0|1,0,0]=3 418 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,1,0,0,1,0|0,0,0]=2 419 B12R1.478 CN[C@H](C(=O)O)C1=CC=CN=C1 CNP0487776.1 [0,1,0,0,1,0|1,0,0]=3 420 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,1,0,0,1,0|1,0,0]=3 421 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,1,0,0,1,0|1,0,0]=3 423 B12R1.478 NC(=O)[C@@H](CO)C1=CC=CC=C1 CNP0503539.1 [0,1,0,0,1,0|2,0,0]=4 424 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 CNP0185259.1 [0,1,0,0,1,0|1,0,0]=3 425 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 CNP0185259.2 [0,1,0,0,1,0|1,0,0]=3 426 B12R1.564 N[C@@H](C1=CC=CC=C1)P(=O)(O)O CNP0411999.2 [0,1,0,0,1,0|1,0,0]=3 427 B12R1.564 N[C@H](C1=CC=CC=C1)P(=O)(O)O CNP0411999.1 [0,1,0,0,1,0|1,0,0]=3 428 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O CNP0400824.1 [0,1,0,0,0,1|0,0,0]=2 429 B14R1.549 CC(=O)N[C@@H](CO)CC1=CC=CC=C1 CNP0129737.2 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 CNP0129737.1 [0,1,0,0,0,1|2,0,0]=4 431 B14R1.549 CC[C@@H](CC1=CC=CC=C1)NC(=O)C CNP0026513.1 [0,1,0,0,0,1|2,0,0]=4 432 B14R1.549 CC[C@H](CC1=CC=CC=C1)NC(=O)C CNP0026513.2 [0,1,0,0,0,1|2,0,0]=4 433 B14R1.698 NC(CC(=O)O)CC1=CC=C(C=C1)O CNP0415764.0 [0,1,0,0,0,1|0,0,0]=2 434 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 CNP0003360.0 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.161 NC1=CC=CC=C1CC[C@@H](N)C(=O)O CNP0183073.1 [0,1,0,0,0,1|0,0,0]=2 436 B14R1.415 CN(C[C@@H](N)C(=O)O)C1=CC=CC=C1 CNP0517587.2 [0,1,0,0,0,1|0,0,0]=2 437 B14R1.415 CN(C[C@H](N)C(=O)O)C1=CC=CC=C1 CNP0517587.1 [0,1,0,0,0,1|0,0,0]=2 438 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]=4 439 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]=4 440 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O CNP0292373.0 [0,1,0,0,0,1|0,0,0]=2 441 B14R1.415 NC(CC(O)C1=CC=CC=N1)C(=O)O CNP0342477.0 [0,1,0,0,0,1|1,0,0]=3 442 B14R1.415 NC(NC(=O)C1=CC=CC=C1)C(=O)O CNP0530335.0 [0,1,0,0,0,1|0,0,1]=3 443 B14R1.415 N[C@@H](C[S@+]([O-])C1=CC=CC=N1)C(=O)O CNP0569173.1 [0,1,0,0,0,1|1,0,0]=3 444 B14R1.415 N[C@@H](C[S@H+]([O-])C1=CC=CC=N1)C(=O)O CNP0581248.1 [0,1,0,0,0,1|1,0,0]=3 445 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 CNP0032416.0 [0,1,0,0,0,1|1,0,1]=4 446 B14R1.679 NC1C=CC(C=C1)CC[C@H](N)C(=O)O CNP0104076.2 [0,1,0,0,0,1|0,0,2]=4 447 B14R1.679 N[C@@H](CC[C@H]1C=C[C@@H](C=C1)N)C(=O)O CNP0104076.1 [0,1,0,0,0,1|0,0,2]=4 448 B14R1.679 N[C@@H](CC[C@H]1C=C[C@H](C=C1)N)C(=O)O CNP0104076.4 [0,1,0,0,0,1|0,0,2]=4 449 B14R1.679 N[C@H](CC[C@H]1C=C[C@@H](C=C1)N)C(=O)O CNP0104076.3 [0,1,0,0,0,1|0,0,2]=4 450 B14R1.679 O=C(O)C(O)COC1=CC=C(C=C1)Cl CNP0076718.0 [0,1,0,0,0,1|1,0,0]=3 451 B14R1.679 O=C(O)[C@@H](O)CCC1=CC=C(C=C1)O CNP0157305.2 [0,1,0,0,0,1|1,0,0]=3 452 B14R1.679 O=C(O)[C@H](O)CCC1=CC=C(C=C1)O CNP0157305.1 [0,1,0,0,0,1|1,0,0]=3 453 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,1|1,0,0]=3 454 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,1|1,0,0]=3 455 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,1|1,0,0]=3 456 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,1|1,0,0]=3 457 B14R1.3 COC1=CC=C(C=C1)CC(=O)C(=O)O CNP0018016.0 [0,2,0,0,0,0|1,0,1]=4 458 B14R1.3 COC1=CC=C(C=C1)CC(=S)C(=O)O CNP0443715.0 [0,2,0,0,0,0|1,0,1]=4 459 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0402588.2 [0,2,0,0,0,0|0,0,0]=2 460 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)N CNP0201099.1 [0,2,0,0,0,0|2,0,0]=4 461 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)O CNP0320715.1 [0,2,0,0,0,0|1,0,0]=3 462 B14R1.3 COC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0402588.1 [0,2,0,0,0,0|0,0,0]=2 463 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O CNP0050337.0 [0,2,0,0,0,0|2,0,0]=4 464 B14R1.3 C[C@@H](OC1=CC=C(C=C1)C=O)C(=O)O CNP0374570.1 [0,2,0,0,0,0|2,0,0]=4 465 B14R1.3 C[C@H](OC1=CC=C(C=C1)C=O)C(=O)O CNP0374570.2 [0,2,0,0,0,0|2,0,0]=4 466 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O CNP0304718.1 [0,2,0,0,0,0|0,0,0]=2 467 B14R1.132 C[C@H](C1=CC=C(C=C1)O)[C@H](O)C(=O)O CNP0597363.1 [0,2,0,0,0,0|1,0,0]=3 468 B14R1.132 O=C(O)[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0602438.4 [0,2,0,0,0,0|1,0,0]=3 469 B14R1.132 O=C(O)[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0602438.2 [0,2,0,0,0,0|1,0,0]=3 470 B14R1.132 O=C(O)[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0602438.1 [0,2,0,0,0,0|1,0,0]=3 471 B14R1.132 O=C(O)[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0602438.3 [0,2,0,0,0,0|1,0,0]=3 472 B14R1.132 [2H]C(C1=CC=C(C=C1)O)[C@H](N)C(=O)C CNP0265098.1 [0,2,0,0,0,0|1,0,0]=3 473 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl CNP0355431.0 [0,2,0,0,0,0|0,0,0]=2 474 B14R1.134 COC(=O)C(O)CC1=CC=C(C=C1)O CNP0118416.0 [0,2,0,0,0,0|1,0,0]=3 475 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [0,2,0,0,0,0|1,0,0]=3 476 B14R1.134 COC(=O)[C@@H](C)NC1=CC=C(C=C1)C CNP0481771.2 [0,2,0,0,0,0|2,0,0]=4 477 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0122998.1 [0,2,0,0,0,0|0,0,0]=2 478 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=N1)O CNP0236104.1 [0,2,0,0,0,0|1,0,0]=3 479 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [0,2,0,0,0,0|1,0,0]=3 480 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(C=C1)C CNP0481771.1 [0,2,0,0,0,0|2,0,0]=4 481 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0118416.1 [0,2,0,0,0,0|1,0,0]=3 482 B14R1.134 N[C@H](CC1=CC=C(C=C1)I)C(=O)NO CNP0602089.1 [0,2,0,0,0,0|0,0,0]=2 483 B14R1.536 CNC(CC1=CC=C(C=C1)I)C(=O)O CNP0421391.0 [0,2,0,0,0,0|0,0,0]=2 484 B14R1.536 CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0259108.2 [0,2,0,0,0,0|0,0,0]=2 485 B14R1.536 CN[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0259108.1 [0,2,0,0,0,0|0,0,0]=2 486 B14R1.536 CO[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0255437.1 [0,2,0,0,0,0|1,0,0]=3 487 B14R1.536 O=C(O)C(=NO)CC1=CC=C(C=C1)O CNP0341137.0 [0,2,0,0,0,0|0,0,2]=4 488 B14R1.536 O=C(O)[C@H](CC1=CC=C(C=C1)O)NO CNP0247200.1 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.686 C[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0236065.1 [0,2,0,0,0,0|1,0,0]=3 490 B14R1.686 N=C(CC1=CC=C(C(=C1)O)O)C(=O)O CNP0486723.0 [0,2,0,0,0,0|0,0,2]=4 491 B14R1.686 NC(=O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0369894.2 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.686 NC(=O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0369894.1 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.686 NC1=CC(=CC=C1O)C[C@H](N)C(=O)O CNP0194206.2 [0,2,0,0,0,0|0,0,0]=2 494 B14R1.686 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O CNP0118108.1 [0,2,0,0,0,0|0,0,0]=2 495 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Br)O)C(=O)O CNP0139461.1 [0,2,0,0,0,0|0,0,0]=2 496 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Cl)O)C(=O)O CNP0342895.1 [0,2,0,0,0,0|0,0,0]=2 497 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)I)O)C(=O)O CNP0354293.1 [0,2,0,0,0,0|0,0,0]=2 498 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.1 [0,2,0,0,0,0|0,0,0]=2 499 B14R1.686 N[C@@H](CN1C=CC(=O)C(=C1)O)C(=O)O CNP0144413.1 [0,2,0,0,0,0|1,0,0]=3 500 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O CNP0354293.2 [0,2,0,0,0,0|0,0,0]=2 501 B14R1.686 N[C@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.2 [0,2,0,0,0,0|0,0,0]=2 502 B14R1.686 N[C@H](CN1C=CC(=O)C(=C1)O)C(=O)O CNP0144413.2 [0,2,0,0,0,0|1,0,0]=3 503 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)I)O CNP0275421.0 [0,2,0,0,0,0|1,0,1]=4 504 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)O)O CNP0017898.0 [0,2,0,0,0,0|1,0,1]=4 505 B14R1.686 O=C(O)C(=S)CC1=CC=C(C(=C1)Cl)Cl CNP0194088.0 [0,2,0,0,0,0|1,0,1]=4 506 B14R1.686 O=C(O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.2 [0,2,0,0,0,0|1,0,0]=3 507 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.3 [0,2,0,0,0,0|1,0,0]=3 508 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)[O-] CNP0265014.1 [0,2,0,0,0,0|1,0,0]=3 509 B14R1.700 N[C@@H](CC1=CC=C(C=C1)O)P(=O)(O)O CNP0575707.1 [0,2,0,0,0,0|1,0,0]=3 510 B14R1.6049 C[C@@H](OC1=CC=C(C=C1Cl)Cl)C(=O)O CNP0045049.2 [0,2,0,0,0,0|2,0,0]=4 511 B14R1.6049 C[C@H](OC1=CC=C(C=C1Cl)Cl)C(=O)O CNP0045049.1 [0,2,0,0,0,0|2,0,0]=4 512 B14R1.6049 NC1=CC(=CC=C1C[C@@H](N)C(=O)O)O CNP0602905.1 [0,2,0,0,0,0|0,0,0]=2 513 B14R1.6049 NC1=CC(=CC=C1C[C@H](N)C(=O)O)O CNP0602905.2 [0,2,0,0,0,0|0,0,0]=2 514 B14R1.6049 N[C@@H](CN1C=CC(=NC1=O)O)C(=O)O CNP0204042.1 [0,2,0,0,0,0|2,0,0]=4 515 B14R1.6049 N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O CNP0491202.1 [0,2,0,0,0,0|2,0,0]=4 516 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)O CNP0231869.0 [0,2,0,0,0,0|2,0,0]=4 517 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O CNP0340484.1 [0,2,0,0,0,0|0,0,0]=2 518 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [0,2,0,0,0,0|0,0,0]=2 520 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [0,2,0,0,0,0|1,0,0]=3 521 B14R1.85 COC(=O)[C@@H](N)[C@@H](C)C1=CC=CC=C1 CNP0524984.3 [0,2,0,0,0,0|0,0,0]=2 522 B14R1.85 COC(=O)[C@@H](N)[C@H](C)C1=CC=CC=C1 CNP0524984.1 [0,2,0,0,0,0|0,0,0]=2 523 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)C1=CC=CC=C1 CNP0036227.1 [0,2,0,0,0,0|1,0,0]=3 524 B14R1.85 COC(=O)[C@H](N)[C@@H](C)C1=CC=CC=C1 CNP0524984.4 [0,2,0,0,0,0|0,0,0]=2 525 B14R1.85 COC(=O)[C@H](N)[C@H](C)C1=CC=CC=C1 CNP0524984.2 [0,2,0,0,0,0|0,0,0]=2 526 B14R1.135 COC(=O)[C@@H](C)NC1=CC=CC(=C1)Br CNP0482696.2 [0,2,0,0,0,0|2,0,0]=4 527 B14R1.135 COC(=O)[C@@H](C)NC1=CC=CC(=C1)C CNP0521176.2 [0,2,0,0,0,0|2,0,0]=4 528 B14R1.135 COC(=O)[C@H](C)NC1=CC=CC(=C1)Br CNP0482696.1 [0,2,0,0,0,0|2,0,0]=4 529 B14R1.135 COC(=O)[C@H](C)NC1=CC=CC(=C1)C CNP0521176.1 [0,2,0,0,0,0|2,0,0]=4 530 B14R1.1031 CC[C@@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.2 [0,2,0,0,0,0|2,0,0]=4 531 B14R1.1031 CC[C@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.1 [0,2,0,0,0,0|2,0,0]=4 532 B14R1.1031 CNC(=O)C(CC1=CC=CC=C1)NO CNP0244726.0 [0,2,0,0,0,0|1,0,0]=3 533 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.2 [0,2,0,0,0,0|0,0,0]=2 534 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.1 [0,2,0,0,0,0|0,0,0]=2 535 B14R1.1031 COC(=O)[C@H](CC1=CC=CC=C1)NO CNP0292156.1 [0,2,0,0,0,0|0,0,0]=2 536 B14R1.1107 COC(=O)C(C)(C)CC1=CC=CC=C1 CNP0023760.0 [0,2,0,0,0,0|1,0,0]=3 537 B14R1.75 N#CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0199493.1 [0,2,0,0,0,0|0,0,0]=2 538 B14R1.75 NCC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0225493.1 [0,2,0,0,0,0|0,0,0]=2 539 B14R1.75 N[C@@H](CC1=CC=CC(=C1)CO)C(=O)O CNP0157139.2 [0,2,0,0,0,0|0,0,0]=2 540 B14R1.75 N[C@H](CC1=CC=CC(=C1)CO)C(=O)O CNP0157139.1 [0,2,0,0,0,0|0,0,0]=2 541 B14R1.150 C[N+]1=CC=CC(=C1)C(=O)C(N)C(=O)O CNP0536808.0 [0,2,0,0,0,0|1,0,1]=4 542 B14R1.153 N[C@@H](CC1=CC=CC(=C1O)O)C(=O)O CNP0355050.1 [0,2,0,0,0,0|0,0,0]=2 543 B14R1.4404 CC(N)(CC1=CC=CC(=C1)O)C(=O)O CNP0050866.0 [0,2,0,0,0,0|0,0,0]=2 544 B14R1.4474 N[C@@H](CC1=CC(=CC=C1O)O)C(=O)O CNP0146679.1 [0,2,0,0,0,0|0,0,0]=2 545 B14R1.3135 COC1=CC=CC=C1O[C@@H](C)C(=O)O CNP0486879.2 [0,2,0,0,0,0|2,0,0]=4 546 B14R1.3135 COC1=CC=CC=C1O[C@H](C)C(=O)O CNP0486879.1 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.5971 N[C@@H](CN1C(=NC=CC1=O)O)C(=O)O CNP0340356.1 [0,2,0,0,0,0|2,0,0]=4 548 B14R1.5971 N[C@@H](CN1C(=O)C=CNC1=O)C(=O)O CNP0503262.1 [0,2,0,0,0,0|2,0,0]=4 549 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0207541.2 [0,2,0,0,0,0|0,0,0]=2 550 B14R1.980 O=CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0207541.1 [0,2,0,0,0,0|0,0,0]=2 551 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(=O)C CNP0179026.0 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.4513 CC(N)C(CC1=CC=CC=C1)C(=O)O CNP0599225.0 [0,2,0,0,0,0|0,0,0]=2 553 B14R1.4513 CN(C)[C@@H](CC1=CC=CC=C1)C(=O)N CNP0293943.1 [0,2,0,0,0,0|1,0,0]=3 554 B14R1.4513 CN(C)[C@@H](CC1=CC=CC=C1)C(=O)O CNP0141586.1 [0,2,0,0,0,0|0,0,0]=2 555 B14R1.4513 CN(C)[C@H](CC1=CC=CC=C1)C(=O)O CNP0141586.2 [0,2,0,0,0,0|0,0,0]=2 556 B14R1.4513 NC(=O)C(CC1=CC=CC=C1)[N+](=O)[O-] CNP0518449.0 [0,2,0,0,0,0|1,0,1]=4 557 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)N(O)O CNP0030247.0 [0,2,0,0,0,0|0,0,0]=2 558 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [1,0,0,1,0,0|1,0,0]=3 559 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [1,0,0,1,0,0|1,0,0]=3 560 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [1,0,0,1,0,0|1,0,1]=4 561 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [1,0,0,1,0,0|1,0,1]=4 562 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [1,0,0,1,0,0|2,0,0]=4 563 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [1,0,0,1,0,0|2,0,0]=4 564 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [1,0,0,1,0,0|0,0,0]=2 565 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [1,0,0,1,0,0|0,0,0]=2 566 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,1|1,0,1]=4 567 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,1|2,0,0]=4 568 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,1|2,0,0]=4 569 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,1|1,0,0]=3 570 B14R2.598 CC1N=C(OC1C2=CC=CC=C2)N CNP0480991.0 [0,0,0,1,0,1|2,0,0]=4 571 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.2 [0,0,0,1,0,1|1,0,0]=3 572 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.4 [0,0,0,1,0,1|1,0,0]=3 573 B14R2.598 C[C@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.3 [0,0,0,1,0,1|1,0,0]=3 574 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.1 [0,0,0,1,0,1|1,0,0]=3 575 B14R2.642 CC(=O)N1C2=CC=CC=C2C[C@@H]1C CNP0052848.1 [0,0,0,1,0,1|2,0,0]=4 576 B14R2.642 CC(=O)N1C2=CC=CC=C2C[C@H]1C CNP0052848.2 [0,0,0,1,0,1|2,0,0]=4 577 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 CNP0583144.0 [0,0,0,1,0,1|0,0,2]=4 578 B14R2.260 O=C1OC(CC1O)C2=CC=CC=C2 CNP0557942.0 [0,0,0,1,0,1|1,0,0]=3 579 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CNP0256854.0 [0,0,0,1,0,1|1,0,1]=4 580 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 CNP0360235.2 [0,0,0,1,0,1|1,0,0]=3 581 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2C1 CNP0198581.2 [0,0,0,1,0,1|1,0,0]=3 582 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 CNP0360235.1 [0,0,0,1,0,1|1,0,0]=3 583 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2C1 CNP0198581.1 [0,0,0,1,0,1|1,0,0]=3 584 B14R2.9535 N[C@@]1(CCC2=CC=CC=C12)C(=O)O CNP0479506.2 [0,0,0,1,0,1|0,0,0]=2 585 B14R2.9535 N[C@]1(CCC2=CC=CC=C12)C(=O)O CNP0479506.1 [0,0,0,1,0,1|0,0,0]=2 586 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)Cl CNP0340466.0 [0,1,0,1,0,0|0,0,2]=4 587 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)O CNP0609129.0 [0,1,0,1,0,0|0,0,2]=4 588 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CNP0575573.0 [0,1,0,1,0,0|0,0,2]=4 589 B14R2.8239 CN1CC2=CC(=CC=C2OC1=O)Br CNP0056386.0 [0,1,0,1,0,0|2,0,0]=4 590 B14R2.958 CNC(=O)[C@H]1O[C@@H]1C2=CC=CC=C2 CNP0208614.1 [0,1,0,1,0,0|2,0,0]=4 591 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,1,0,1,0,0|2,0,0]=4 592 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,1,0,1,0,0|2,0,0]=4 593 B14R2.8188 O=C1[C@@H](OC2=CC=CC=C2N1O)O CNP0423168.1 [0,1,0,1,0,0|2,0,0]=4 594 B14R2.8188 O=C1[C@H](OC2=CC=CC=C2N1O)O CNP0423168.2 [0,1,0,1,0,0|2,0,0]=4 595 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CNP0353602.0 [0,1,0,1,0,0|0,0,2]=4 596 B14R2.450 CN1C(=CC2=CC=CC=C12)C(=O)O CNP0075697.0 [0,1,0,1,0,0|0,0,2]=4 597 B14R2.789 NC1(CC2=CC=CC=C2C1)C(=O)O CNP0556631.0 [0,1,0,1,0,0|0,0,0]=2 598 B14R2.15 CC[C@@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.3 [0,1,0,1,0,0|2,0,0]=4 599 B14R2.15 CC[C@@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.1 [0,1,0,1,0,0|2,0,0]=4 600 B14R2.15 CC[C@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.4 [0,1,0,1,0,0|2,0,0]=4 601 B14R2.15 CC[C@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.2 [0,1,0,1,0,0|2,0,0]=4 602 B14R3.697 O=C1OC2=CC=CC=C2[C@@H]3[C@H]1C3 CNP0028024.1 [0,0,0,2,0,0|1,0,0]=3 603 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,0,0,0,1,0|1,0,1]=4 604 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,0,0,0,1,0|2,0,0]=4 605 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,0,0,0,1,0|1,0,0]=3 606 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,0,0,0,1,0|1,0,1]=4 607 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,0,0,0,1,0|1,0,1]=4 608 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,0,0,0,1,0|2,0,0]=4 609 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,0,0,0,1,0|1,0,1]=4 610 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,0,0,0,1,0|1,0,1]=4 611 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,0,0,1,0|1,0,1]=4 612 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,0,0,0,1,0|1,0,0]=3 613 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,0,0,0,1,0|1,0,1]=4 614 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,0,0,0,1,0|1,0,1]=4 615 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,0,0,0,1,0|1,0,1]=4 616 B10R1.27 N[C@H](C=O)CC1=CN=CN1 CNP0338079.1 [1,0,0,0,1,0|2,0,0]=4 617 B10R1.27 N[C@H](C=O)CC1=CNC=N1 CNP0586262.1 [1,0,0,0,1,0|2,0,0]=4 618 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [1,0,0,0,1,0|2,0,0]=4 619 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [1,0,0,0,1,0|2,0,0]=4 620 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [1,0,0,0,1,0|2,0,0]=4 621 B10R1.66 O=C(O)CCN1C=CN=C1 CNP0153546.0 [1,0,0,0,1,0|2,0,0]=4 622 B10R1.23 NC(C(=O)O)C1=CNC=N1 CNP0311493.0 [0,0,0,0,2,0|2,0,0]=4 623 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 CNP0491951.1 [0,0,0,0,2,0|1,0,0]=3 624 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 CNP0491951.2 [0,0,0,0,2,0|1,0,0]=3 625 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,0,0,0,0,1|2,0,0]=4 626 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,0,0,0,0,1|1,0,0]=3 627 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,0,0,0,0,1|1,0,0]=3 628 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [1,0,0,0,0,1|1,0,1]=4 629 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [1,0,0,0,0,1|1,0,0]=3 630 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [1,0,0,0,0,1|0,0,1]=3 631 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [1,0,0,0,0,1|1,0,1]=4 632 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [1,0,0,0,0,1|0,0,0]=2 633 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [1,0,0,0,0,1|1,0,0]=3 634 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [1,0,0,0,0,1|0,0,0]=2 635 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [1,0,0,0,0,1|0,0,0]=2 636 B14R1.423 CC(=O)NC[C@@H](O)CC1=CC=CC=C1 CNP0429280.1 [0,0,0,0,0,2|2,0,0]=4 637 B14R1.423 C[C@@H](CCC(=O)O)CC1=CC=CC=C1 CNP0459573.2 [0,0,0,0,0,2|1,0,0]=3 638 B14R1.423 C[C@H](CCC(=O)O)CC1=CC=CC=C1 CNP0459573.1 [0,0,0,0,0,2|1,0,0]=3 639 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 CNP0167736.0 [0,0,0,0,0,2|1,0,1]=4 640 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 CNP0183978.0 [0,0,0,0,0,2|1,0,1]=4 641 B14R1.818 CC(=O)CC(C)OCC1=CC=CC=C1 CNP0184746.0 [0,0,0,0,0,2|2,0,0]=4 642 B14R1.818 CC(=O)O[C@H](C)CCC1=CC=CC=C1 CNP0146654.1 [0,0,0,0,0,2|2,0,0]=4 643 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O CNP0526108.0 [0,0,0,0,0,2|1,0,0]=3 644 B14R1.818 O=C(O)C[C@@H](O)/C=C/C1=CC=CC=C1 CNP0104971.1 [0,0,0,0,0,2|1,0,1]=4 645 B14R1.818 O=C(O)C[C@H](O)CCC1=CC=CC=C1 CNP0246395.1 [0,0,0,0,0,2|1,0,0]=3 646 B14R1.6449 CC(=O)C(C)NCCC1=CC=CC=C1 CNP0204331.0 [0,0,0,0,0,2|2,0,0]=4 647 B14R1.6449 CC(=O)[C@@H](N)COCC1=CC=CC=C1 CNP0507142.1 [0,0,0,0,0,2|1,0,0]=3 648 B14R1.6449 C[C@H](NOCC1=CC=CC=C1)C(=O)O CNP0138190.1 [0,0,0,0,0,2|1,0,0]=3 649 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.2 [0,0,0,0,0,2|0,0,0]=2 650 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.1 [0,0,0,0,0,2|0,0,0]=2 651 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.1 [0,0,0,0,0,2|0,0,0]=2 652 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.2 [0,0,0,0,0,2|0,0,0]=2 653 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 CNP0593415.0 [0,0,0,0,0,2|1,0,1]=4