0 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,0,0|0,0,2]=2 8 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,0,0|1,1,1]=3 9 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|0,0,0]=1 24 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|0,0,2]=3 25 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,0,0,0,0,0|0,0,2]=3 28 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|0,0,0]=1 38 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [1,0,0,0,0,0|0,0,2]=3 40 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|0,0,2]=3 41 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|1,0,1]=3 44 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,1,0,0,0,0|0,0,2]=3 47 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,1,0,0,0,0|0,0,2]=3 48 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,1,0,0,0,0|0,0,2]=3 49 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,1,0,0,0,0|0,0,2]=3 50 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,1,0,0,0,0|0,0,2]=3 51 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,1,0,0,0,0|0,0,2]=3 52 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,0,0|1,0,2]=4 54 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,1,0,0,0,0|0,0,0]=1 55 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,0,0|0,0,2]=3 58 B13R1.14 O=C(C=CC1=CC=C(C=C1)Cl)NO CNP0534943.0 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.15 CCC(=O)C=CC1=CC=CC(=O)O1 CNP0574296.0 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,1,0,0,0,0|0,0,1]=2 63 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,1,0,0,0,0|1,0,2]=4 67 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,1,0,0,0,0|1,1,1]=4 70 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,1,0,0,0,0|0,0,2]=3 72 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,1,0,0,0,0|1,1,1]=4 73 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,1,0,0,0,0|1,0,2]=4 75 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,0,0|1,0,2]=4 76 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,0|0,0,1]=2 78 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,0,0|0,0,2]=3 80 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,0,0|0,0,2]=3 82 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,0,0|0,0,2]=3 84 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,0,0|0,0,2]=3 85 B13R1.351 CC(=O)C(=CNC1=CC=CC=C1)C CNP0106967.0 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.351 CC(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.351 C[C@@H](N)[C@@H](O)/C=C/C1=CC=CC=C1 CNP0287290.1 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 CNP0295050.1 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.351 C[C@H](N)[C@@H](O)/C=C/C1=CC=CC=C1 CNP0287290.3 [0,1,0,0,0,0|1,0,2]=4 91 B13R1.351 C[C@H](N)[C@H](O)/C=C/C1=CC=CC=C1 CNP0287290.2 [0,1,0,0,0,0|1,0,2]=4 92 B13R1.417 COC(C=CC1=CC=CC=C1)OC CNP0250710.0 [0,1,0,0,0,0|0,0,2]=3 93 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,1,0,0,0,0|0,0,0]=1 94 B13R2.10 NC1=CC(=NO1)C2=CC=CC=C2 CNP0342622.0 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,0|0,0,0]=1 96 B13R2.10 O=C1CNC(=N1)C2=CC=CC=C2 CNP0040410.0 [0,0,0,1,0,0|3,0,0]=4 97 B13R2.10 O=C1CSC(=N1)C2=CC=CC=C2 CNP0049999.0 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,0|2,0,1]=4 99 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,0|2,0,1]=4 100 B13R2.10 S=C1C=[N+](NO1)C2=CC=CC=C2 CNP0484887.0 [0,0,0,1,0,0|2,1,0]=4 101 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [0,0,0,1,0,0|2,0,0]=3 102 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [0,0,0,1,0,0|2,0,0]=3 104 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,0,0,1,0,0|1,0,0]=2 106 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,0,0,1,0,0|2,0,0]=3 107 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,0,0,1,0,0|1,0,1]=3 109 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,0,0,1,0,0|2,0,0]=3 110 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,1,0,0|1,0,2]=4 111 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,0,0|2,0,1]=4 112 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.57 CCC1=CN=C2C=CC=CC2=N1 CNP0522044.0 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,0,0,1,0,0|1,0,0]=2 116 B13R2.57 COC1=CC=C2C=CCOC2=C1 CNP0590753.0 [0,0,0,1,0,0|2,0,1]=4 117 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [0,0,0,1,0,0|1,0,2]=4 118 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 CNP0294953.0 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 CNP0200433.0 [0,0,0,1,0,0|3,0,0]=4 121 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 CNP0129350.0 [0,0,0,1,0,0|3,0,0]=4 123 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CNP0090515.0 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,0,0,0,1,0|1,0,0]=2 125 B11R1.25 COC(=O)C=CC1=CNC=C1 CNP0269800.0 [0,0,0,0,1,0|1,0,0]=2 126 B11R1.25 COC(=O)C=CC1=CNC=N1 CNP0271540.0 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,1,0|1,0,1]=3 130 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,1,0|1,0,1]=3 133 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,0,0,0,1,0|0,0,3]=4 134 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,1,0|0,0,1]=2 135 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,1,0|1,1,0]=3 136 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,1,0|2,0,1]=4 137 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,1,0|2,0,1]=4 140 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,0,0,0,1,0|3,0,0]=4 142 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,0,1|1,0,2]=4 143 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,0,1|1,0,2]=4 144 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,0,1|0,0,0]=1 145 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,0,1|0,0,0]=1 146 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,0,1|0,0,2]=3 147 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,0,1|0,0,2]=3 148 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|0,0,2]=4 149 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [1,0,1,0,0,0|1,0,1]=4 150 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [1,0,1,0,0,0|1,0,1]=4 151 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [1,0,1,0,0,0|2,0,0]=4 152 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [1,0,1,0,0,0|1,0,1]=4 153 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [1,0,1,0,0,0|0,0,1]=3 154 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 155 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|0,0,1]=3 156 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|0,0,2]=4 157 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,0]=2 162 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,2]=4 163 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [2,0,0,0,0,0|0,0,1]=3 167 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [2,0,0,0,0,0|1,1,0]=4 169 B12R0.248 CCC=CC=CC=CCC(=O)OC CNP0205483.0 [0,1,1,0,0,0|0,0,2]=4 170 B12R0.248 CCC=CCC=CC=CC(=O)OC CNP0018410.0 [0,1,1,0,0,0|0,0,2]=4 171 B12R0.248 CCCC=CC=CC=CC(=O)OC CNP0248466.0 [0,1,1,0,0,0|0,0,2]=4 172 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [1,1,0,0,0,0|0,0,1]=3 173 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.28 CC=CC=CC1=CC=CC(=O)O1 CNP0526558.0 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,1,0,0,0,0|0,0,0]=2 181 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,1,0,0,0,0|0,0,2]=4 187 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [1,1,0,0,0,0|0,0,2]=4 190 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [1,1,0,0,0,0|0,0,0]=2 191 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [1,1,0,0,0,0|0,0,2]=4 194 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,1,0,0,0,0|0,0,2]=4 195 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.21 OB(O)C=CC1=CC=C(C=C1)Cl CNP0527100.0 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [1,1,0,0,0,0|0,0,0]=2 202 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [1,1,0,0,0,0|0,0,0]=2 204 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,1,0,0,0,0|0,0,1]=3 205 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [1,1,0,0,0,0|0,0,2]=4 207 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [1,1,0,0,0,0|0,0,2]=4 208 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [1,1,0,0,0,0|0,0,2]=4 210 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [1,1,0,0,0,0|0,0,2]=4 215 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [1,1,0,0,0,0|0,0,2]=4 217 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,1,0,0,0,0|0,0,1]=3 222 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [1,1,0,0,0,0|0,0,2]=4 223 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [1,1,0,0,0,0|0,0,2]=4 224 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|0,0,1]=3 226 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [1,1,0,0,0,0|1,0,1]=4 228 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [1,1,0,0,0,0|0,0,2]=4 229 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [1,1,0,0,0,0|0,0,2]=4 230 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [1,1,0,0,0,0|0,0,2]=4 232 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [1,1,0,0,0,0|0,0,2]=4 233 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [1,1,0,0,0,0|0,0,2]=4 235 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [1,1,0,0,0,0|0,0,0]=2 238 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [1,1,0,0,0,0|0,0,0]=2 240 B12R1.125 O=C(O)/C=C/C1=CC=CC[C@@H]1O CNP0190830.1 [1,1,0,0,0,0|0,0,2]=4 241 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [1,1,0,0,0,0|0,0,0]=2 243 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [1,1,0,0,0,0|0,0,2]=4 244 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [1,1,0,0,0,0|0,0,0]=2 247 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [1,1,0,0,0,0|0,0,0]=2 248 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [1,1,0,0,0,0|0,0,0]=2 249 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [1,1,0,0,0,0|0,0,2]=4 250 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.15 COC(=O)NC(=O)C1=CC=CN1 CNP0432685.0 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.51 CCOC(=O)C=CC1=CC=CO1 CNP0393898.0 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.51 CCOC(=O)C=CC1=CNC=N1 CNP0226961.0 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,1,0|0,0,0]=2 255 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,1,0|0,0,0]=2 256 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,1,0,0,1,0|0,0,1]=3 257 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,1,0,0,1,0|1,0,1]=4 258 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,1,0,0,1,0|0,0,1]=3 259 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,1,0,0,1,0|0,0,1]=3 260 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,1,0,0,1,0|1,0,1]=4 261 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,1,0,0,1,0|0,0,1]=3 262 B12R1.34 COC(O)C(=O)C1=CC=CC=C1 CNP0536152.0 [0,1,0,0,1,0|0,0,2]=4 263 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,1,0|1,0,1]=4 264 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,1,0|0,0,1]=3 265 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,1,0|1,0,1]=4 267 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,1,0|0,0,0]=2 268 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,1,0|0,0,1]=3 269 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,1,0|1,0,1]=4 270 B14R1.13 CSC(=NC=CC1=CC=C(C=C1)O)S CNP0609232.0 [0,1,0,0,0,1|0,2,0]=4 271 B14R1.13 CSC(=S)NC=CC1=CC=C(C=C1)O CNP0409416.0 [0,1,0,0,0,1|0,2,0]=4 272 B14R1.163 COC(=O)CC[C@H](O)C1=CC=CC=C1 CNP0285839.1 [0,1,0,0,0,1|0,0,2]=4 273 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 CNP0071110.0 [0,1,0,0,0,1|0,0,1]=3 274 B14R1.520 CC(=CC=CC1=CC=CC=C1)CCO CNP0170958.0 [0,1,0,0,0,1|2,0,0]=4 275 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,1,0,0,0,1|0,0,2]=4 276 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,1,0,0,0,1|0,0,2]=4 277 B14R1.546 CSC(=NC=CC1=CC=CC=C1)SC CNP0562772.0 [0,1,0,0,0,1|0,2,0]=4 278 B14R1.743 CNC(=CC(=O)OC1=CC=CC=C1)C CNP0061493.0 [0,1,0,0,0,1|2,0,0]=4 279 B14R1.743 COC(=O)C=C(C)NC1=CC=CC=C1 CNP0099886.0 [0,1,0,0,0,1|0,0,0]=2 280 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,1|0,0,2]=4 281 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,1|0,0,2]=4 282 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,1|0,0,2]=4 283 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,1|0,0,2]=4 284 B14R1.756 CSC(=O)N(C)C=CC1=CC=CC=C1 CNP0078029.0 [0,1,0,0,0,1|0,1,0]=3 285 B14R1.837 COC(=O)NCCC1=CC=CC=C1N CNP0030218.0 [0,1,0,0,0,1|0,0,2]=4 286 B14R1.6449 CC(O)C(=O)NC=CC1=CC=CC=C1 CNP0535102.0 [0,1,0,0,0,1|1,0,0]=3 287 B14R1.10 CCC(=CC(=O)C1=CC=C(C=C1)Br)O CNP0506968.0 [0,2,0,0,0,0|1,0,1]=4 288 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CNP0317330.0 [0,2,0,0,0,0|0,0,1]=3 289 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CNP0238620.0 [0,2,0,0,0,0|0,0,1]=3 290 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 CNP0417882.1 [0,2,0,0,0,0|1,0,1]=4 291 B14R1.85 COC(=O)[C@@H](N)[C@@H](C)C1=CC=CC=C1 CNP0524984.3 [0,2,0,0,0,0|0,0,2]=4 292 B14R1.85 COC(=O)[C@@H](N)[C@H](C)C1=CC=CC=C1 CNP0524984.1 [0,2,0,0,0,0|0,0,2]=4 293 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)C1=CC=CC=C1 CNP0036227.1 [0,2,0,0,0,0|0,0,2]=4 294 B14R1.85 COC(=O)[C@H](N)[C@@H](C)C1=CC=CC=C1 CNP0524984.4 [0,2,0,0,0,0|0,0,2]=4 295 B14R1.85 COC(=O)[C@H](N)[C@H](C)C1=CC=CC=C1 CNP0524984.2 [0,2,0,0,0,0|0,0,2]=4 296 B14R1.415 CC(C)C(=O)C=C(O)C1=CC=CC=C1 CNP0258159.0 [0,2,0,0,0,0|1,0,0]=3 297 B14R1.415 CC(C)C(=O)CC(=O)C1=CC=CC=C1 CNP0104621.0 [0,2,0,0,0,0|1,0,1]=4 298 B14R1.415 CC(C)C(=O)OC(=O)C1=CC=CC=C1 CNP0166188.0 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.3297 COC(=O)C[C@@H](OC)C1=CC=CC=C1 CNP0247806.1 [0,2,0,0,0,0|0,0,2]=4 300 B14R1.5 CCC(=O)C=CC1=CC=C(C=C1)OC CNP0191076.0 [0,2,0,0,0,0|1,0,0]=3 301 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)OC CNP0135555.0 [0,2,0,0,0,0|0,0,0]=2 302 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)SC CNP0506631.0 [0,2,0,0,0,0|0,0,0]=2 303 B14R1.5 COC(=O)CCC1=CC=C(C=C1)OC CNP0273183.0 [0,2,0,0,0,0|0,0,2]=4 304 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O CNP0480251.0 [0,2,0,0,0,0|1,0,1]=4 305 B14R1.5 COC(=O)COC1=CC=C(C=C1)OC CNP0482350.0 [0,2,0,0,0,0|1,0,1]=4 306 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)NN CNP0513524.0 [0,2,0,0,0,0|2,0,0]=4 307 B14R1.134 COC(=O)C(=CC1=CC=C(C=C1)O)O CNP0199127.0 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl CNP0355431.0 [0,2,0,0,0,0|0,0,2]=4 309 B14R1.134 COC(=O)C(O)CC1=CC=C(C=C1)O CNP0118416.0 [0,2,0,0,0,0|0,0,2]=4 310 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [0,2,0,0,0,0|0,0,2]=4 311 B14R1.134 COC(=O)[C@@H](C)NC1=CC=C(C=C1)C CNP0481771.2 [0,2,0,0,0,0|1,0,1]=4 312 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0122998.1 [0,2,0,0,0,0|0,0,2]=4 313 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [0,2,0,0,0,0|0,0,2]=4 314 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(C=C1)C CNP0481771.1 [0,2,0,0,0,0|1,0,1]=4 315 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0118416.1 [0,2,0,0,0,0|0,0,2]=4 316 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C CNP0157244.0 [0,2,0,0,0,0|0,0,0]=2 317 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [0,2,0,0,0,0|0,0,0]=2 318 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [0,2,0,0,0,0|0,0,2]=4 319 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [0,2,0,0,0,0|1,0,1]=4 320 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [0,2,0,0,0,0|1,0,1]=4 321 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [0,2,0,0,0,0|1,0,1]=4 322 B14R1.727 COC(=O)C=CC1=CC=C(C=C1O)O CNP0266971.0 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.727 COC(=O)CCC1=CC=C(C=C1O)O CNP0594204.0 [0,2,0,0,0,0|0,0,2]=4 324 B14R1.727 COC(=O)COC1=CC=C(C=C1Cl)Cl CNP0124604.0 [0,2,0,0,0,0|1,0,1]=4 325 B14R1.727 O=C(C=CC1=CC=C(C=C1Cl)Cl)NO CNP0575037.0 [0,2,0,0,0,0|2,0,0]=4 326 B14R1.833 COC(=O)C=CC1=CC=C(C(=C1)O)O CNP0274791.0 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [0,2,0,0,0,0|0,0,2]=4 328 B14R1.19592 COC(=O)C=CC1(C=CC(=O)C=C1)O CNP0256692.0 [0,2,0,0,0,0|0,0,1]=3 329 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 B14R1.820 COC(=O)C=CC1=CC(=CC=C1O)O CNP0327092.0 [0,2,0,0,0,0|0,0,0]=2 334 B14R1.825 COC(=O)C=CC1=CC(=CC(=C1)O)O CNP0270285.0 [0,2,0,0,0,0|0,0,0]=2 335 B14R1.5956 C[C@@H](O)C(=O)/C=C/C1=CC=CC(=O)O1 CNP0262897.2 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.5956 C[C@H](O)C(=O)/C=C/C1=CC=CC(=O)O1 CNP0262897.1 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,2,0,0,0,0|0,0,1]=3 338 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [0,2,0,0,0,0|1,0,0]=3 339 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [0,2,0,0,0,0|0,0,2]=4 340 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [0,2,0,0,0,0|0,0,2]=4 341 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 CNP0240721.0 [0,2,0,0,0,0|0,0,0]=2 342 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 CNP0402399.0 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [0,2,0,0,0,0|0,0,0]=2 344 B14R1.156 CCCOC(=O)CCC1=CC=CC=C1 CNP0546590.0 [0,2,0,0,0,0|0,0,2]=4 345 B14R1.156 O=C(C=CC1=CC=CC=C1)NCCO CNP0209791.0 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.156 O=C(CCC1=CC=CC=C1)OCCO CNP0364264.0 [0,2,0,0,0,0|0,0,2]=4 347 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1C CNP0298915.0 [0,2,0,0,0,0|0,0,0]=2 348 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1N CNP0070575.0 [0,2,0,0,0,0|0,0,0]=2 349 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1O CNP0145722.0 [0,2,0,0,0,0|0,0,0]=2 350 B14R1.598 CCOC(=O)CCC1=CC=CC=C1O CNP0147042.0 [0,2,0,0,0,0|0,0,2]=4 351 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl CNP0301851.0 [0,2,0,0,0,0|1,0,1]=4 352 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 CNP0180499.0 [0,2,0,0,0,0|0,0,0]=2 353 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,2,0,0,0,0|0,0,2]=4 354 B14R1.1031 CC[C@@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.2 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.1031 CC[C@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.1 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.2 [0,2,0,0,0,0|0,0,2]=4 357 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.1 [0,2,0,0,0,0|0,0,2]=4 358 B14R1.1031 COC(=O)[C@H](CC1=CC=CC=C1)NO CNP0292156.1 [0,2,0,0,0,0|0,0,2]=4 359 B14R1.1107 COC(=O)C(C)(C)CC1=CC=CC=C1 CNP0023760.0 [0,2,0,0,0,0|0,0,2]=4 360 B14R1.161 O=C(O)C(=O)C=CC1=CC=CC=C1O CNP0605638.0 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.863 COC(=O)C=CC1=CC=CC=C1OC CNP0229234.0 [0,2,0,0,0,0|0,0,0]=2 362 B14R1.863 COC(=O)CCC1=CC=CC=C1OC CNP0311057.0 [0,2,0,0,0,0|0,0,2]=4 363 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,0,1,1,0,0|1,0,1]=4 364 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [0,0,1,1,0,0|1,0,0]=3 365 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,0,1,1,0,0|1,0,1]=4 366 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,0,1,1,0,0|2,0,0]=4 367 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,0,1,1,0,0|2,0,0]=4 368 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,0,1,1,0,0|2,0,0]=4 369 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,0,1,1,0,0|1,0,0]=3 370 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,0,1,1,0,0|1,0,1]=4 371 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [1,0,0,1,0,0|1,0,0]=3 372 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [1,0,0,1,0,0|0,0,1]=3 374 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [1,0,0,1,0,0|0,0,1]=3 376 B12R2.2 C1=CC=C(C=C1)C2=CON=C2 CNP0452957.0 [1,0,0,1,0,0|1,0,1]=4 377 B12R2.41 C1=CC2=CC=CC=C2NN=C1 CNP0558669.0 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [1,0,0,1,0,0|1,0,0]=3 379 B12R2.1081 CC1=CC=CC2=CC=CN=C12 CNP0256900.0 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.1081 CC1=CC=CC2=CN=CC=C12 CNP0132588.0 [1,0,0,1,0,0|2,0,0]=4 381 B12R2.1081 CC1=CC=CC2=NC=CC=C12 CNP0205038.0 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CNP0138798.0 [1,0,0,1,0,0|2,0,0]=4 383 B12R2.1081 CC1=NC=CC2=CC=CC=C12 CNP0255450.0 [1,0,0,1,0,0|2,0,0]=4 384 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [1,0,0,1,0,0|1,0,1]=4 385 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [1,0,0,1,0,0|2,0,0]=4 386 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [1,0,0,1,0,0|1,0,1]=4 388 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [1,0,0,1,0,0|1,0,0]=3 390 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [1,0,0,1,0,0|1,0,0]=3 391 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [1,0,0,1,0,0|2,0,0]=4 394 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [1,0,0,1,0,0|2,0,0]=4 396 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [1,0,0,1,0,0|2,0,0]=4 397 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [1,0,0,1,0,0|2,0,0]=4 398 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [1,0,0,1,0,0|1,0,1]=4 399 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [1,0,0,1,0,0|2,0,0]=4 400 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,0,0,1,0,0|0,0,0]=2 401 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [1,0,0,1,0,0|1,0,0]=3 402 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [1,0,0,1,0,0|0,0,0]=2 403 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [1,0,0,1,0,0|1,0,1]=4 404 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [1,0,0,1,0,0|0,0,2]=4 405 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [1,0,0,1,0,0|0,0,2]=4 406 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [1,0,0,1,0,0|1,0,1]=4 407 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [1,0,0,1,0,0|2,0,0]=4 408 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [1,0,0,1,0,0|1,0,0]=3 409 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [1,0,0,1,0,0|1,0,0]=3 410 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [1,0,0,1,0,0|2,0,0]=4 411 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [1,0,0,1,0,0|2,0,0]=4 412 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [1,0,0,1,0,0|0,1,1]=4 413 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [1,0,0,1,0,0|1,0,0]=3 414 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [1,0,0,1,0,0|1,0,1]=4 415 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [1,0,0,1,0,0|0,0,2]=4 416 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [1,0,0,1,0,0|0,0,2]=4 417 B12R2.6 O=C1C=C(CO1)C2=CC=CO2 CNP0215277.0 [0,0,0,1,1,0|1,0,0]=3 418 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,0,0,1,1,0|2,0,0]=4 419 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,0,0,1,1,0|1,0,1]=4 420 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,0,0,1,1,0|2,0,0]=4 421 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,0,0,1,1,0|2,0,0]=4 422 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,0,0,1,1,0|1,0,1]=4 423 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,0,0,1,1,0|2,0,0]=4 424 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,1,0|2,0,0]=4 425 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,0,0,1,1,0|1,1,0]=4 426 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,1|0,0,0]=2 427 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,1|0,0,2]=4 428 B14R2.95 COC(=O)C1=CNC2=CC=CC=C12 CNP0153897.0 [0,0,0,1,0,1|0,0,0]=2 429 B14R2.95 CSC(=O)C1=CNC2=CC=CC=C12 CNP0186809.0 [0,0,0,1,0,1|0,1,0]=3 430 B14R2.95 N#CC(=O)C1=CNC2=CC=CC=C12 CNP0252722.0 [0,0,0,1,0,1|2,0,0]=4 431 B14R2.95 NNC(=O)C1=CNC2=CC=CC=C12 CNP0589839.0 [0,0,0,1,0,1|2,0,0]=4 432 B14R2.95 O=C(CO)C1=CNC2=CC=CC=C12 CNP0306348.0 [0,0,0,1,0,1|2,0,0]=4 433 B14R2.95 O=CC(=O)C1=CNC2=CC=CC=C12 CNP0083847.0 [0,0,0,1,0,1|2,0,0]=4 434 B14R2.5672 O=C1C=CC2=CC=CC=C(C2)C=C1 CNP0466307.0 [0,0,0,1,0,1|1,0,1]=4 435 B14R2.21 O=C1C=C(SCC1)C2=CC=CC=C2 CNP0044156.0 [0,1,0,1,0,0|1,0,0]=3 436 B14R2.21 O=C1C=COC(=C1)C2=CC=CC=C2 CNP0351593.0 [0,1,0,1,0,0|1,0,1]=4 437 B14R2.21 O=C1CCC=C(O1)C2=CC=CC=C2 CNP0057103.0 [0,1,0,1,0,0|2,0,0]=4 438 B14R2.1019 COC1=CC(=C2C=NC=CC2=C1)O CNP0574756.0 [0,1,0,1,0,0|2,0,0]=4 439 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2N1C CNP0288264.0 [0,1,0,1,0,0|2,0,0]=4 440 B14R2.7724 CC1=CC(=O)N(C2=CC=CC=C12)C CNP0256321.0 [0,1,0,1,0,0|1,0,0]=3 441 B14R2.7724 CN1C(=O)C=C(C2=CC=CC=C12)O CNP0184684.0 [0,1,0,1,0,0|1,0,0]=3 442 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 CNP0209784.0 [0,1,0,1,0,0|1,0,1]=4 443 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C12 CNP0246233.0 [0,1,0,1,0,0|2,0,0]=4 444 B14R2.7724 O=C1C=C(C2=CC=CC=C2C1=O)O CNP0303808.0 [0,1,0,1,0,0|2,0,0]=4 445 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 CNP0107419.0 [0,1,0,1,0,0|2,0,0]=4 446 B14R2.134 COC1=CC=C2C=NC(=CC2=C1)C CNP0292494.0 [0,1,0,1,0,0|2,0,0]=4 447 B14R2.142 CCC1=CC=C2C=CC=C(C2=C1)C CNP0611604.0 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.142 COC1=CC=C2C=CC=C(C2=N1)O CNP0383374.0 [0,1,0,1,0,0|1,0,0]=3 449 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)C CNP0235585.0 [0,1,0,1,0,0|2,0,0]=4 450 B14R2.142 COC1=CC=C2OC=CC(=O)C2=C1 CNP0021965.0 [0,1,0,1,0,0|2,0,0]=4 451 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)C CNP0021947.0 [0,1,0,1,0,0|2,0,0]=4 452 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 CNP0309169.0 [0,1,0,1,0,0|2,0,0]=4 453 B14R2.5632 O=C1C=CC2=CC=CC(=C2CO1)O CNP0282456.0 [0,1,0,1,0,0|0,0,0]=2 454 B14R2.28523 O=C1C=CC2=CC=CC(=C2C1=O)O CNP0335813.0 [0,1,0,1,0,0|2,0,0]=4 455 B14R2.29369 CC1=CC=C2C(=C(C=CC2=C1)C)C CNP0397817.0 [0,1,0,1,0,0|2,0,0]=4 456 B14R2.101 C(=CC1OCCO1)C2=CC=CC=C2 CNP0002857.0 [0,1,0,1,0,0|0,0,2]=4 457 B14R2.112 CC=CC1=CC=C2C=CC=CC2=N1 CNP0312111.0 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.112 CCCC1=CC=C2C=CC=CC2=N1 CNP0276038.0 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 CNP0003641.0 [0,1,0,1,0,0|1,0,0]=3 460 B14R2.112 CSSC1=CC=C2C=CC=CC2=N1 CNP0077863.0 [0,1,0,1,0,0|1,1,0]=4 461 B14R2.203 CCC1=C(C=CC2=CC=CC=C12)C CNP0567644.0 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.203 NCC1=C(C=CC2=CC=CC=C12)O CNP0452658.0 [0,1,0,1,0,0|1,0,1]=4 463 B14R2.598 O=C1C=C([C@@H](O1)O)C2=CC=CC=C2 CNP0314934.1 [0,1,0,1,0,0|0,0,0]=2 464 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O CNP0042113.0 [0,1,0,1,0,0|1,0,0]=3 465 B14R2.741 O=C1N=NC2=CC=CC=C2C=C1O CNP0545745.0 [0,1,0,1,0,0|2,0,0]=4 466 B14R2.972 CNC(=O)C1=CC2=CC=CC=C2N1 CNP0429248.0 [0,1,0,1,0,0|1,0,0]=3 467 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 CNP0358811.0 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O CNP0565978.0 [0,1,0,1,0,0|1,0,0]=3 469 B14R2.1128 COC1=CC2=CC=CC=C2OC1=O CNP0191557.0 [0,1,0,1,0,0|2,0,0]=4 470 B14R2.1128 COC1=CC2=CC=NC=C2C=C1O CNP0040035.0 [0,1,0,1,0,0|2,0,0]=4 471 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0163282.0 [0,1,0,1,0,0|2,0,0]=4 472 B14R2.92 COC1=CC=C2C=CC=CC2=C1C CNP0031037.0 [0,1,0,1,0,0|1,0,0]=3 473 B14R2.1801 COC1=CC=C2C(=O)C=CCC2=C1 CNP0065010.0 [0,1,0,1,0,0|1,0,1]=4 474 B14R2.8038 CC1=CC=C2C(=CC=CC2=C1C)C CNP0243514.0 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,1,0|1,0,1]=4 477 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,1,0|1,0,0]=3 478 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,1,0|2,0,0]=4 479 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,1,0|0,0,1]=3 480 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,1,0|1,0,0]=3 481 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,1,0|1,0,0]=3 482 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,1,0|2,0,0]=4 483 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,1,0|1,1,0]=4 484 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,1,0|1,0,1]=4 485 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,1,0|2,0,0]=4 486 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,1,0|1,0,1]=4 487 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,1,0|1,0,1]=4 488 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,1,0|0,0,1]=3 489 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,1,0|1,0,1]=4 490 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,1,0|1,0,1]=4 491 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [1,0,0,0,1,0|1,0,0]=3 492 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [1,0,0,0,1,0|2,0,0]=4 493 B10R1.66 NC(=O)C=CC1=CNC=C1 CNP0558804.0 [1,0,0,0,1,0|2,0,0]=4 494 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [1,0,0,0,1,0|1,0,0]=3 495 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [1,0,0,0,1,0|1,0,0]=3 497 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [1,0,0,0,1,0|2,0,0]=4 498 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,2,0|1,0,1]=4 499 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,2,0|1,0,1]=4 500 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,2,0|1,0,0]=3 502 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,2,0|2,0,0]=4 503 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,2,0|1,0,0]=3 504 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,2,0|0,0,0]=2 506 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,2,0|1,0,0]=3 507 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,2,0|1,0,0]=3 508 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,0,0,0,2,0|2,0,0]=4 509 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,2,0|1,0,1]=4 510 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,2,0|0,1,0]=3 511 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,2,0|2,0,0]=4 512 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,2,0|2,0,0]=4 513 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,2,0|2,0,0]=4 514 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,2,0|2,0,0]=4 515 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,2,0|2,0,0]=4 516 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,2,0|2,0,0]=4 517 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,2,0|2,0,0]=4 518 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,0,0,0,0,2|1,0,0]=3 519 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,0,0,0,0,2|1,0,0]=3 520 B14R1.716 COC(=O)C=CC=CC1=CC=CC=C1 CNP0143962.0 [0,0,0,0,0,2|0,0,0]=2