0 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,0,0,0,0,0|0,0,1]=2 23 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [1,0,0,0,0,0|1,1,1]=4 30 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,0,0,0,0,0|2,1,0]=4 31 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,1,0,0,0,0|0,0,1]=2 32 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.45 CC(=O)OC=C(C)C1=CC=CC=C1 CNP0052211.0 [0,1,0,0,0,0|0,0,2]=3 35 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.45 O=C(O)CCC(O)C1=CC=CN=C1 CNP0334963.0 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.149 CC(=O)CCCC1=CC=CC(=O)O1 CNP0288902.0 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.149 N=C(N)NCCC1=CC=CC(=C1)O CNP0214719.0 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.348 CC(=O)C=C(C)NC1=CC=CC=C1 CNP0070664.0 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CNP0003361.0 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,1,0,0,0,0|1,0,2]=4 55 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.351 CC(=O)C(=CNC1=CC=CC=C1)C CNP0106967.0 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.513 CC(=CCOC1=CC=C(C=C1)O)C CNP0265943.0 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.513 CC(=O)C=CNC1=CC=C(C=C1)Br CNP0465673.0 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [0,1,0,0,0,0|1,0,2]=4 66 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [0,1,0,0,0,0|1,0,2]=4 70 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,1,0,0,0,0|1,0,2]=4 74 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.718 OCN(O)CCCC1=CC=CC=C1 CNP0505008.0 [0,1,0,0,0,0|2,0,1]=4 77 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,0,1,0,0,0|0,0,2]=3 78 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [0,0,0,1,0,0|3,0,0]=4 79 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,0|0,0,2]=3 81 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,0|2,0,0]=3 83 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,0|2,0,0]=3 84 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,0,0,1,0,0|2,0,1]=4 85 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,0,0,1,0,0|2,0,1]=4 86 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,0,0,1,0,0|2,0,1]=4 87 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [0,0,0,1,0,0|2,0,0]=3 88 B13R2.72 CC(=O)C1=CNC2=CC=CC=C12 CNP0402989.0 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.72 CC(=O)N1C=CC2=CC=CC=C12 CNP0113091.0 [0,0,0,1,0,0|1,0,2]=4 90 B13R2.72 CC(=O)N1N=NC2=CC=CC=C12 CNP0041582.0 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [0,0,0,1,0,0|1,0,1]=3 97 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [0,0,0,1,0,0|1,0,0]=2 98 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [0,0,0,1,0,0|1,0,0]=2 99 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [0,0,0,1,0,0|0,0,0]=1 100 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [0,0,0,1,0,0|0,0,0]=1 101 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,1,0|1,0,1]=3 102 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,1,0|0,0,2]=3 103 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,1,0|0,0,0]=1 104 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,1,0|0,0,0]=1 105 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,1,0|1,0,0]=2 106 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,1,0|1,0,1]=3 107 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,1,0|2,0,0]=3 108 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,1,0|0,0,2]=3 109 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,1,0|1,0,2]=4 110 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,1,0|1,0,0]=2 111 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,1,0|2,0,0]=3 112 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,1,0|2,0,0]=3 113 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,1,0|3,0,0]=4 114 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,1,0|2,1,0]=4 115 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,1,0|1,0,2]=4 116 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,1,0|1,0,2]=4 118 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,1,0|1,0,2]=4 119 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,1,0|1,0,0]=2 120 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,1,0|2,0,0]=3 122 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,1,0|2,0,0]=3 123 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,1,0|2,0,1]=4 125 B11R1.172 CC(=CCCC1=COC=C1)C CNP0209969.0 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.172 CC(=CCCC1=CSC=C1)C CNP0148788.0 [0,0,0,0,1,0|3,0,0]=4 127 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.172 CC(=O)NCCC1=CN=CN1 CNP0128477.0 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.172 CC(=O)NCCC1=CNC=N1 CNP0497661.0 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,0,0,0,1,0|3,0,0]=4 131 B13R1.337 CC(=O)C=CC=CC1=CC=CC=C1 CNP0296768.0 [0,0,0,0,0,1|1,0,2]=4 132 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [0,0,0,0,0,1|1,0,0]=2 133 B13R1.337 CC(=O)C=CNCC1=CC=CC=C1 CNP0417107.0 [0,0,0,0,0,1|1,0,1]=3 134 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 CNP0207222.0 [0,0,0,0,0,1|0,0,1]=2 135 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [0,0,0,0,0,1|0,0,0]=1 136 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 CNP0301747.0 [0,0,0,0,0,1|1,0,0]=2 137 B13R1.337 O=C(O)CC=CCC1=CC=CC=C1 CNP0286082.0 [0,0,0,0,0,1|2,0,1]=4 138 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [0,0,0,0,0,1|2,0,1]=4 139 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 CNP0097941.0 [0,0,0,0,0,1|2,0,0]=3 140 B13R1.337 O=C(O)CCCC[N+]1=CC=CC=C1 CNP0541520.0 [0,0,0,0,0,1|3,0,0]=4 141 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|0,0,0]=2 142 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,1,0,0,0|1,0,1]=4 143 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [2,0,0,0,0,0|0,0,1]=3 144 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 147 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [2,0,0,0,0,0|0,0,1]=3 148 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [2,0,0,0,0,0|1,0,1]=4 149 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [2,0,0,0,0,0|0,0,1]=3 152 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [2,0,0,0,0,0|0,1,1]=4 153 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|0,0,0]=2 156 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [2,0,0,0,0,0|0,1,0]=3 159 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [2,0,0,0,0,0|1,1,0]=4 160 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,2]=4 165 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,0]=2 166 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|0,0,0]=2 169 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [2,0,0,0,0,0|0,0,2]=4 170 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [2,0,0,0,0,0|1,1,0]=4 171 B12R0.234 CCC=CCC=CCCOC(=O)C CNP0138980.0 [0,1,1,0,0,0|0,0,2]=4 172 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [1,1,0,0,0,0|0,0,1]=3 183 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [1,1,0,0,0,0|0,0,2]=4 196 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,0,0,1,0|0,0,2]=4 198 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,1,0|0,0,0]=2 199 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,1,0|0,0,0]=2 200 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,1,0|1,0,0]=3 201 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,1,0|0,0,0]=2 202 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,1,0,0,1,0|1,0,1]=4 203 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,1,0,0,1,0|0,0,2]=4 206 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,1,0,0,1,0|0,0,2]=4 207 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,1,0|1,0,0]=3 208 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,1,0,0,1,0|1,0,0]=3 209 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,1,0|1,0,0]=3 211 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,1,0|0,0,2]=4 217 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,1,0|0,0,1]=3 218 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,1,0|1,0,1]=4 219 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,1,0|0,0,0]=2 220 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,1,0|1,0,0]=3 221 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,1,0|0,0,2]=4 222 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,1,0|0,0,2]=4 226 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,1,0|0,0,2]=4 227 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,1,0|1,0,1]=4 229 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,1,0|1,0,0]=3 230 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,1,0|1,0,0]=3 231 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,1,0|1,0,0]=3 232 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,1,0,0,1,0|2,0,0]=4 233 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,1,0|2,0,0]=4 235 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,1,0,0,1,0|2,0,0]=4 237 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,1,0|1,0,1]=4 238 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,1,0|1,0,0]=3 239 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,1,0|1,0,0]=3 240 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,1,0|0,0,1]=3 241 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,1,0,0,1,0|2,0,0]=4 245 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,1,0|0,0,0]=2 246 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,1,0,0,1,0|1,1,0]=4 250 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,1,0|1,0,0]=3 251 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,1,0|1,0,0]=3 255 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,1,0|1,0,0]=3 256 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,0,0,1,0|0,0,2]=4 257 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,1,0|0,0,0]=2 258 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,1,0|0,0,0]=2 262 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,0,1,0|1,0,1]=4 263 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,1,0|1,0,0]=3 264 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,1,0|1,0,0]=3 265 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,1,0|0,0,0]=2 267 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,1,0|1,0,0]=3 268 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,1,0,0,1,0|0,0,2]=4 270 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.54 CC(=O)CC[C@H](O)C1=COC=C1 CNP0324592.1 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.130 CC(=O)OCCC1=C(N=CS1)C CNP0396246.0 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.477 CC(=CCCC1=COC=C1)C=O CNP0181007.0 [0,1,0,0,1,0|2,0,0]=4 275 B14R1.148 O=C(O)CCCCC1=CC=CC(=C1)O CNP0179534.0 [0,1,0,0,0,1|2,0,0]=4 276 B14R1.159 CC(=O)OCC=CC1=CC=CC=C1O CNP0108630.0 [0,1,0,0,0,1|0,0,1]=3 277 B14R1.159 O=C(O)CCCCC1=CC=CC=C1O CNP0211877.0 [0,1,0,0,0,1|2,0,0]=4 278 B14R1.420 C[C@@H](CCCC(=O)O)C1=CC=CC=C1 CNP0446549.1 [0,1,0,0,0,1|2,0,0]=4 279 B14R1.420 C[C@H](CCCC(=O)O)C1=CC=CC=C1 CNP0446549.2 [0,1,0,0,0,1|2,0,0]=4 280 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 CNP0117112.0 [0,1,0,0,0,1|2,0,0]=4 281 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 CNP0467044.0 [0,1,0,0,0,1|2,0,0]=4 282 B14R1.423 CC(=O)NC[C@@H](O)CC1=CC=CC=C1 CNP0429280.1 [0,1,0,0,0,1|1,0,0]=3 283 B14R1.423 C[C@@H](CCC(=O)O)CC1=CC=CC=C1 CNP0459573.2 [0,1,0,0,0,1|2,0,0]=4 284 B14R1.423 C[C@H](CCC(=O)O)CC1=CC=CC=C1 CNP0459573.1 [0,1,0,0,0,1|2,0,0]=4 285 B14R1.423 O=C(O)CCC(=O)CC1=CC=CC=C1 CNP0167736.0 [0,1,0,0,0,1|2,0,0]=4 286 B14R1.677 CC(=O)CCC=CC1=CC=C(C=C1)O CNP0249738.0 [0,1,0,0,0,1|1,0,1]=4 287 B14R1.677 CC(=O)OCC=CC1=CC=C(C=C1)O CNP0136768.0 [0,1,0,0,0,1|0,0,1]=3 288 B14R1.677 CC(=O)OCCCC1=CC=C(C=C1)O CNP0197993.0 [0,1,0,0,0,1|0,0,0]=2 289 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,1,0,0,0,1|1,0,0]=3 290 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,1,0,0,0,1|1,0,0]=3 291 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,1,0,0,0,1|0,0,1]=3 292 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,1,0,0,0,1|0,0,0]=2 293 B14R1.818 CC(=C[C@@H](C)OCC1=CC=CC=C1)C CNP0049240.1 [0,1,0,0,0,1|2,0,0]=4 294 B14R1.818 CC(=C[C@H](C)OCC1=CC=CC=C1)C CNP0049240.2 [0,1,0,0,0,1|2,0,0]=4 295 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,1,0,0,0,1|1,0,1]=4 296 B14R1.818 CC(=O)CC(C)OCC1=CC=CC=C1 CNP0184746.0 [0,1,0,0,0,1|1,0,0]=3 297 B14R1.818 CC(=O)O[C@H](C)CCC1=CC=CC=C1 CNP0146654.1 [0,1,0,0,0,1|0,0,0]=2 298 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,1,0,0,0,1|1,0,1]=4 299 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O CNP0526108.0 [0,1,0,0,0,1|2,0,0]=4 300 B14R1.818 O=C(O)C[C@H](O)CCC1=CC=CC=C1 CNP0246395.1 [0,1,0,0,0,1|2,0,0]=4 301 B14R1.6449 CC(=O)C(C)NCCC1=CC=CC=C1 CNP0204331.0 [0,1,0,0,0,1|1,0,0]=3 302 B14R1.6449 CC(=O)[C@@H](N)COCC1=CC=CC=C1 CNP0507142.1 [0,1,0,0,0,1|1,0,0]=3 303 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 CNP0142246.0 [0,1,0,0,0,1|1,0,1]=4 304 B14R1.6449 CC(O)C(=O)OCCC1=CC=CC=C1 CNP0489052.0 [0,1,0,0,0,1|0,0,2]=4 305 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.2 [0,1,0,0,0,1|2,0,0]=4 306 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.1 [0,1,0,0,0,1|2,0,0]=4 307 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.1 [0,1,0,0,0,1|2,0,0]=4 308 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.2 [0,1,0,0,0,1|2,0,0]=4 309 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 CNP0593415.0 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.160 CC(=O)ONC(=O)C1=CC=CC=C1O CNP0497326.0 [0,2,0,0,0,0|1,0,1]=4 311 B14R1.160 CC1=CC=CC=C1C(O)CCC(=O)N CNP0560252.0 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.160 NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl CNP0570968.1 [0,2,0,0,0,0|1,0,0]=3 313 B14R1.160 O=C(O)CC[C@@H](O)C1=CC=CC=C1O CNP0228657.1 [0,2,0,0,0,0|2,0,0]=4 314 B14R1.163 CCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0242418.1 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.163 COC(=O)CC[C@H](O)C1=CC=CC=C1 CNP0285839.1 [0,2,0,0,0,0|1,0,0]=3 316 B14R1.417 CC(=O)CC(O)C(=O)C1=CC=CC=C1 CNP0105514.0 [0,2,0,0,0,0|1,0,1]=4 317 B14R1.417 CC(=O)C[C@@H](O)C(=O)C1=CC=CC=C1 CNP0105514.1 [0,2,0,0,0,0|1,0,1]=4 318 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)O CNP0408370.0 [0,2,0,0,0,0|1,0,1]=4 319 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)O CNP0233235.0 [0,2,0,0,0,0|0,0,1]=3 320 B14R1.678 CC1=CC=C(C=C1)[C@@H](C)CCC(=O)O CNP0138560.2 [0,2,0,0,0,0|2,0,0]=4 321 B14R1.678 CC1=CC=C(C=C1)[C@H](C)CCC(=O)O CNP0138560.1 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.687 CC(=O)NCCC1=CC=C(C(=C1)Br)O CNP0428169.0 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.687 CC(=O)NCCC1=CC=C(C(=C1)O)O CNP0164999.0 [0,2,0,0,0,0|1,0,0]=3 324 B14R1.687 CC(=O)OCCC1=CC=C(C(=C1)O)O CNP0307573.0 [0,2,0,0,0,0|0,0,0]=2 325 B14R1.687 O=C(O)OCCC1=CC=C(C(=C1)O)O CNP0378082.0 [0,2,0,0,0,0|1,0,0]=3 326 B14R1.161 NC1=CC=CC=C1CC[C@@H](N)C(=O)O CNP0183073.1 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.837 COC(=O)NCCC1=CC=CC=C1N CNP0030218.0 [0,2,0,0,0,0|1,0,0]=3 328 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O CNP0400824.1 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.549 CC(=O)N[C@@H](CO)CC1=CC=CC=C1 CNP0129737.2 [0,2,0,0,0,0|1,0,0]=3 330 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 CNP0129737.1 [0,2,0,0,0,0|1,0,0]=3 331 B14R1.549 CC[C@@H](CC1=CC=CC=C1)NC(=O)C CNP0026513.1 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.549 CC[C@H](CC1=CC=CC=C1)NC(=O)C CNP0026513.2 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.698 NC(CC(=O)O)CC1=CC=C(C=C1)O CNP0415764.0 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 CNP0003360.0 [0,2,0,0,0,0|0,0,0]=2 335 B14R1.679 O=C(O)[C@@H](O)CCC1=CC=C(C=C1)O CNP0157305.2 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.679 O=C(O)[C@H](O)CCC1=CC=C(C=C1)O CNP0157305.1 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,2,0,0,0,0|1,0,0]=3 338 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,2,0,0,0,0|1,0,0]=3 340 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.756 CSC(=O)N(C)CCC1=CC=CC=C1 CNP0078296.0 [0,2,0,0,0,0|1,0,0]=3 342 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O CNP0292767.0 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.4 COC1=CC=C(C=C1)CCNC(=O)C CNP0041220.0 [0,2,0,0,0,0|1,0,0]=3 344 B14R1.4 COC1=CC=C(C=C1)CCOC(=O)C CNP0162222.0 [0,2,0,0,0,0|0,0,0]=2 345 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,2,0,0,0,0|0,0,0]=2 346 B14R1.690 CC(=O)OCCC1(C=CC(=O)C=C1)O CNP0216848.0 [0,2,0,0,0,0|0,0,1]=3 347 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,2,0,0,0,0|0,0,0]=2 349 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.127 C=C1CC(C(=C)CO1)OC(=O)C CNP0433403.0 [0,0,1,1,0,0|1,0,1]=4 353 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [1,0,0,1,0,0|2,0,0]=4 355 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [1,0,0,1,0,0|1,0,0]=3 356 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [1,0,0,1,0,0|1,0,0]=3 360 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [1,0,0,1,0,0|0,0,2]=4 361 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [1,0,0,1,0,0|0,0,0]=2 362 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [1,0,0,1,0,0|1,0,0]=3 363 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [1,0,0,1,0,0|2,0,0]=4 364 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [1,0,0,1,0,0|1,0,1]=4 365 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,1,0|2,0,0]=4 366 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,1,0|0,0,2]=4 367 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,1,0|0,0,0]=2 368 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,1,0|0,0,0]=2 369 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,1,0|1,0,0]=3 370 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,1,0|1,0,0]=3 371 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,1,0|2,0,0]=4 372 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,1,0|2,0,0]=4 373 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,1,0|1,0,0]=3 374 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,1,0|1,0,0]=3 375 B14R2.2 CC(=O)NN1CCC2=CC=CC=C12 CNP0134818.0 [0,0,0,1,0,1|1,0,0]=3 376 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C12 CNP0174179.0 [0,0,0,1,0,1|0,0,2]=4 377 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,1|0,0,1]=3 378 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,1|2,0,0]=4 379 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,1|2,0,0]=4 380 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,1|1,0,0]=3 381 B14R2.21 O=C1CCN[C@H](C1)C2=CC=CC=C2 CNP0102925.1 [0,0,0,1,0,1|1,0,0]=3 382 B14R2.21 O=C1CCO[C@H](C1)C2=CC=CC=C2 CNP0112018.1 [0,0,0,1,0,1|1,0,0]=3 383 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C12 CNP0523932.2 [0,0,0,1,0,1|2,0,0]=4 384 B14R2.31359 O=C(O)[C@@H]1NCCC2=CC=CC=C12 CNP0009805.2 [0,0,0,1,0,1|2,0,0]=4 385 B14R2.31359 O=C(O)[C@H]1CCCC2=CC=CC=C12 CNP0523932.1 [0,0,0,1,0,1|2,0,0]=4 386 B14R2.31359 O=C(O)[C@H]1NCCC2=CC=CC=C12 CNP0009805.1 [0,0,0,1,0,1|2,0,0]=4 387 B14R2.403 CC1(OC[C@H](O1)C2=CC=CC=C2)C CNP0018437.1 [0,1,0,1,0,0|0,0,2]=4 388 B14R2.2950 CC1CC(CO1)(C)C2=CC=CC=C2 CNP0350839.0 [0,1,0,1,0,0|1,0,1]=4 389 B14R2.781 CC(=O)N1CCC2=CC=CC=C2C1 CNP0009865.0 [0,1,0,1,0,0|1,0,0]=3 390 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.2 [0,1,0,1,0,0|2,0,0]=4 391 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.4 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.598 C[C@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.3 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.1 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.598 O=C1C=C([C@@H](O1)O)C2=CC=CC=C2 CNP0314934.1 [0,1,0,1,0,0|0,0,2]=4 395 B14R2.642 CC(=O)N1C2=CC=CC=C2C[C@@H]1C CNP0052848.1 [0,1,0,1,0,0|1,0,0]=3 396 B14R2.642 CC(=O)N1C2=CC=CC=C2C[C@H]1C CNP0052848.2 [0,1,0,1,0,0|1,0,0]=3 397 B14R2.260 O=C1OC(CC1O)C2=CC=CC=C2 CNP0557942.0 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.9535 N[C@@]1(CCC2=CC=CC=C12)C(=O)O CNP0479506.2 [0,1,0,1,0,0|2,0,0]=4 399 B14R2.9535 N[C@]1(CCC2=CC=CC=C12)C(=O)O CNP0479506.1 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.958 CNC(=O)[C@H]1O[C@@H]1C2=CC=CC=C2 CNP0208614.1 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,1,0,1,0,0|1,0,0]=3 402 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 CNP0148535.2 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 CNP0148535.1 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,1,0,1,0,0|0,0,0]=2 405 B14R3.697 O=C1OC2=CC=CC=C2[C@@H]3[C@H]1C3 CNP0028024.1 [0,0,0,2,0,0|2,0,0]=4 406 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,2,0|1,0,0]=3 407 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,2,0|1,0,1]=4 408 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,2,0|2,0,0]=4 409 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,2,0|0,0,0]=2 410 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,2,0|1,0,0]=3 411 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,2,0|0,0,0]=2 412 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,2,0|1,0,0]=3 413 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,2,0|1,0,1]=4 414 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,2,0|1,1,0]=4 415 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,2,0|1,0,1]=4 416 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,2,0|2,0,0]=4 417 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,2,0|1,0,1]=4 418 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,2,0|1,0,1]=4 419 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,2,0|1,0,1]=4 420 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,2,0|1,0,1]=4 421 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,2,0|2,0,0]=4 422 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,2,0|1,0,0]=3 423 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,2,0|2,0,0]=4 424 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,2,0|2,0,0]=4 425 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,2,0|1,0,0]=3 426 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,2,0|1,0,0]=3 427 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,2,0|1,0,0]=3 428 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,2,0|2,0,0]=4 429 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,2,0|1,0,0]=3 430 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,2,0|1,0,0]=3 431 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,2,0|1,1,0]=4 432 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 CNP0002392.0 [0,0,0,0,0,2|1,0,1]=4