0 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,0|1,0,0]=1 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|2,0,0]=2 4 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,0|0,0,2]=2 8 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,0,0|0,0,0]=0 10 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,0,0|1,1,0]=2 11 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,0|1,0,2]=3 14 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|0,0,2]=3 36 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|0,0,0]=1 37 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,0,0,0,0,0|0,0,2]=3 42 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [1,0,0,0,0,0|2,1,0]=4 48 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|0,0,2]=3 51 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|0,0,2]=3 52 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|0,0,0]=1 54 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [1,0,0,0,0,0|1,0,1]=3 59 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.11 CCC(O)CC(O)C1=CC=CC=C1 CNP0116597.0 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,1,0,0,0,0|0,0,0]=1 64 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,1,0,0,0,0|0,0,2]=3 71 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,1,0,0,0,0|0,0,2]=3 72 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,1,0,0,0,0|0,0,2]=3 73 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,1,0,0,0,0|0,0,2]=3 75 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,1,0,0,0,0|0,0,2]=3 76 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,1,0,0,0,0|0,0,3]=4 77 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,1,0,0,0,0|1,0,2]=4 78 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,1,0,0,0,0|1,1,0]=3 84 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,1,0,0,0,0|0,0,2]=3 85 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,1,0,0,0,0|0,0,0]=1 86 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,1,0,0,0,0|1,1,0]=3 87 B13R1.42 C[C@H](CCO)CCC1=CC=CC=C1 CNP0269177.1 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,1,0,0,0,0|0,0,2]=3 93 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,0|0,0,1]=2 94 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,0,0|0,0,0]=1 98 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,0,0|0,0,0]=1 100 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,0,0|0,0,0]=1 101 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 CNP0003348.0 [0,1,0,0,0,0|1,0,2]=4 104 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.351 CC(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [0,1,0,0,0,0|1,0,2]=4 106 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 CNP0295050.1 [0,1,0,0,0,0|1,0,2]=4 108 B13R1.417 CCN(CC)CCC1=CC=CC=C1 CNP0207277.0 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.417 CN=C(NC)NCC1=CC=CC=C1 CNP0598029.0 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.417 COC(CCC1=CC=CC=C1)OC CNP0293429.0 [0,1,0,0,0,0|0,0,2]=3 111 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,1,0,0,0,0|0,0,2]=3 112 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,0|0,0,2]=3 114 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,0|2,0,0]=3 116 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,0|2,0,0]=3 117 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,0,0,1,0,0|2,1,0]=4 118 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,0,0,1,0,0|2,1,0]=4 119 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,0,0,1,0,0|2,1,0]=4 120 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,0,0,1,0,0|1,0,2]=4 121 B13R2.32 O=C1COC2=CC=CC=C2N1O CNP0252582.0 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,0,0,1,0,0|2,0,1]=4 123 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,1,0,0|1,0,0]=2 124 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,0,0|2,0,0]=3 125 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,0,0,1,0,0|1,0,2]=4 126 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,0,0,0,1,0|1,0,2]=4 130 B11R1.25 COC(=O)C=CC1=CNC=C1 CNP0269800.0 [0,0,0,0,1,0|1,0,2]=4 131 B11R1.25 COC(=O)CCC1=CN=CN1 CNP0181741.0 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.25 COC(=O)CCC1=CNC=N1 CNP0531960.0 [0,0,0,0,1,0|2,0,0]=3 133 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,1,0|1,0,0]=2 134 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,1,0|2,0,0]=3 135 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,1,0|2,0,0]=3 136 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,1,0|2,0,1]=4 137 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,1,0|1,0,0]=2 138 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,1,0|2,0,1]=4 139 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,1,0|2,0,1]=4 140 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,1,0|0,0,0]=1 141 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,1,0|1,1,0]=3 142 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,1,0|2,0,0]=3 143 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,1,0|3,0,0]=4 144 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,1,0|2,0,0]=3 145 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,1,0|2,0,0]=3 146 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,0,0,1,0|2,1,0]=4 148 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,0,1|1,0,0]=2 149 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,0,1|1,0,0]=2 150 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,0,1|0,0,2]=3 151 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,0,1|0,0,1]=2 152 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,0,1|0,0,0]=1 153 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,0,1|0,0,0]=1 154 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|0,0,0]=2 155 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [1,0,1,0,0,0|1,0,1]=4 156 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,1,0,0,0|1,0,1]=4 157 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [1,0,1,0,0,0|0,0,1]=3 158 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [1,0,1,0,0,0|0,0,2]=4 159 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [2,0,0,0,0,0|0,0,1]=3 160 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 163 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [2,0,0,0,0,0|0,0,1]=3 165 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [2,0,0,0,0,0|1,0,1]=4 169 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|0,0,0]=2 173 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [2,0,0,0,0,0|0,1,0]=3 176 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [2,0,0,0,0,0|1,1,0]=4 177 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,2]=4 182 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,0]=2 183 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [2,0,0,0,0,0|0,0,1]=3 187 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [2,0,0,0,0,0|1,1,0]=4 191 B12R0.248 CC=CCCC=CCCC(=O)OC CNP0178350.0 [0,1,1,0,0,0|0,0,2]=4 192 B12R0.248 CCC=CC=CC=CCC(=O)OC CNP0205483.0 [0,1,1,0,0,0|0,0,2]=4 193 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [1,1,0,0,0,0|0,0,1]=3 197 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [1,1,0,0,0,0|0,0,2]=4 204 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,1,0,0,0,0|0,0,2]=4 214 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,1,0,0,0,0|0,0,0]=2 215 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,1,0,0,0,0|0,0,0]=2 216 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,1,0,0,0,0|1,0,0]=3 218 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,1,0,0,0,0|0,0,2]=4 220 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,1,0,0,0,0|0,0,0]=2 221 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [1,1,0,0,0,0|0,0,2]=4 223 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [1,1,0,0,0,0|0,0,2]=4 224 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [1,1,0,0,0,0|0,0,2]=4 228 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [1,1,0,0,0,0|0,0,2]=4 229 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,1,0,0,0,0|0,0,2]=4 230 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,1,0,0,0,0|0,0,0]=2 231 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [1,1,0,0,0,0|0,0,2]=4 237 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [1,1,0,0,0,0|0,0,2]=4 238 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,1,0,0,0,0|0,0,1]=3 239 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [1,1,0,0,0,0|0,0,0]=2 241 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [1,1,0,0,0,0|0,0,2]=4 243 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [1,1,0,0,0,0|0,0,0]=2 245 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [1,1,0,0,0,0|0,0,2]=4 247 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [1,1,0,0,0,0|0,0,2]=4 248 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [1,1,0,0,0,0|0,0,2]=4 250 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O CNP0504436.1 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [1,1,0,0,0,0|0,0,0]=2 255 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)O CNP0571051.1 [1,1,0,0,0,0|0,0,2]=4 256 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O CNP0307488.2 [1,1,0,0,0,0|0,0,2]=4 259 B12R1.43 N[C@@H](CC1C=CC=CC1)C(=O)O CNP0486521.1 [1,1,0,0,0,0|0,0,2]=4 260 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [1,1,0,0,0,0|0,0,0]=2 262 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.43 N[C@H](CC1=CCC=CC1)C(=O)O CNP0307488.1 [1,1,0,0,0,0|0,0,2]=4 264 B12R1.43 N[C@H](CC1C=CCC=C1)C(=O)O CNP0412664.1 [1,1,0,0,0,0|0,0,2]=4 265 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [1,1,0,0,0,0|0,0,2]=4 266 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [1,1,0,0,0,0|0,0,2]=4 267 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,1,0,0,0,0|0,0,1]=3 268 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [1,1,0,0,0,0|0,0,0]=2 269 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|0,0,1]=3 271 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [1,1,0,0,0,0|0,0,0]=2 277 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [1,1,0,0,0,0|1,1,0]=4 280 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [1,1,0,0,0,0|0,0,0]=2 281 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [1,1,0,0,0,0|0,0,0]=2 286 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [1,1,0,0,0,0|0,0,2]=4 287 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [1,1,0,0,0,0|0,0,0]=2 288 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [1,1,0,0,0,0|0,0,2]=4 294 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [1,1,0,0,0,0|0,0,2]=4 296 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [1,1,0,0,0,0|0,0,2]=4 297 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [1,1,0,0,0,0|0,0,2]=4 298 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [1,1,0,0,0,0|0,0,0]=2 299 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [1,1,0,0,0,0|0,0,2]=4 302 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [1,1,0,0,0,0|0,0,2]=4 303 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [1,1,0,0,0,0|0,0,2]=4 304 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [1,1,0,0,0,0|0,0,0]=2 305 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.226 O=C(O)CSC1=CC=CC(=N1)Cl CNP0286786.0 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [1,1,0,0,0,0|0,0,2]=4 308 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,1,0,0,1,0|1,0,0]=3 312 B12R1.51 CCOC(=O)CCC1=CNC=N1 CNP0306422.0 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,1,0,0,1,0|2,0,0]=4 314 B12R1.108 COC(=O)N(C)CC1=CC=CO1 CNP0143530.0 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.108 COC(=O)[C@@H](N)CC1=CN=CN1 CNP0532069.2 [0,1,0,0,1,0|2,0,0]=4 316 B12R1.108 COC(=O)[C@@H](N)CN1C=CN=C1 CNP0514777.1 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.108 COC(=O)[C@H](N)CC1=CN=CN1 CNP0532069.1 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 CNP0119120.1 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.108 COC(=O)[C@H](N)CN1C=CN=C1 CNP0514777.2 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.264 C=C(C)C(=O)CCC1=COC=C1 CNP0209805.0 [0,1,0,0,1,0|2,0,0]=4 321 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,1,0|0,0,1]=3 322 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,1,0|0,0,1]=3 324 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,1,0,0,1,0|0,0,0]=2 325 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,1,0,0,1,0|1,0,0]=3 326 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,1,0,0,1,0|0,0,0]=2 327 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,1,0,0,1,0|0,0,0]=2 328 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,1,0,0,1,0|1,0,0]=3 329 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,1,0,0,1,0|0,0,0]=2 330 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,1,0|1,0,0]=3 331 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,1,0|0,0,0]=2 332 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,1,0|1,0,0]=3 333 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,1,0|1,0,0]=3 334 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,1,0|0,0,1]=3 335 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,1,0,0,1,0|0,0,2]=4 336 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,1,0,0,1,0|2,0,0]=4 337 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,1,0|0,0,0]=2 338 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,1,0|1,0,0]=3 339 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,1,0,0,0,1|1,0,0]=3 340 B14R1.163 CCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0242418.1 [0,1,0,0,0,1|1,0,0]=3 341 B14R1.163 CNC(=O)CCC(=O)C1=CC=CN=C1 CNP0177719.0 [0,1,0,0,0,1|2,0,0]=4 342 B14R1.163 COC(=O)CC[C@H](O)C1=CC=CC=C1 CNP0285839.1 [0,1,0,0,0,1|0,0,0]=2 343 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 CNP0071110.0 [0,1,0,0,0,1|0,0,1]=3 344 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,1,0,0,0,1|1,0,0]=3 345 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,1,0,0,0,1|1,0,0]=3 346 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,1,0,0,0,1|0,0,0]=2 347 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,1,0,0,0,1|0,0,0]=2 348 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,1,0,0,0,1|1,0,0]=3 349 B14R1.743 CNC(=O)CC(=O)CC1=CC=CN=C1 CNP0325410.0 [0,1,0,0,0,1|2,0,0]=4 350 B14R1.743 COC(=O)C=C(C)NC1=CC=CC=C1 CNP0099886.0 [0,1,0,0,0,1|0,0,2]=4 351 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,1|0,0,0]=2 352 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,1|0,0,0]=2 353 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,1|0,0,0]=2 354 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,1|0,0,0]=2 355 B14R1.756 CSC(=O)N(C)CCC1=CC=CC=C1 CNP0078296.0 [0,1,0,0,0,1|0,1,0]=3 356 B14R1.837 COC(=O)NCCC1=CC=CC=C1N CNP0030218.0 [0,1,0,0,0,1|0,0,0]=2 357 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 CNP0103437.0 [0,1,0,0,0,1|1,0,0]=3 358 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 CNP0142246.0 [0,1,0,0,0,1|1,0,0]=3 359 B14R1.6449 CC(O)C(=O)OCCC1=CC=CC=C1 CNP0489052.0 [0,1,0,0,0,1|1,0,0]=3 360 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 CNP0593415.0 [0,1,0,0,0,1|2,0,0]=4 361 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CNP0317330.0 [0,2,0,0,0,0|0,0,1]=3 362 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 CNP0002786.0 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CNP0238620.0 [0,2,0,0,0,0|0,0,1]=3 364 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 CNP0417882.1 [0,2,0,0,0,0|1,0,0]=3 365 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]=2 366 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]=2 367 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)C1=CC=CC=C1 CNP0036227.1 [0,2,0,0,0,0|0,0,0]=2 368 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]=2 369 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]=2 370 B14R1.415 CC(C)C(=O)CC(=O)C1=CC=CC=C1 CNP0104621.0 [0,2,0,0,0,0|1,0,1]=4 371 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 CNP0002787.0 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.3297 COC(=O)C[C@@H](OC)C1=CC=CC=C1 CNP0247806.1 [0,2,0,0,0,0|0,0,0]=2 373 B14R1.5 CCC(=O)OCC1=CC=C(C=C1)OC CNP0085659.0 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.5 COC(=NCC1=CC=C(C=C1)OC)S CNP0609364.0 [0,2,0,0,0,0|1,1,0]=4 375 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)OC CNP0135555.0 [0,2,0,0,0,0|0,0,2]=4 376 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)SC CNP0506631.0 [0,2,0,0,0,0|0,0,2]=4 377 B14R1.5 COC(=O)CCC1=CC=C(C=C1)OC CNP0273183.0 [0,2,0,0,0,0|0,0,0]=2 378 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O CNP0480251.0 [0,2,0,0,0,0|1,0,0]=3 379 B14R1.5 COC(=O)COC1=CC=C(C=C1)OC CNP0482350.0 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.5 COC(=S)NCC1=CC=C(C=C1)OC CNP0378334.0 [0,2,0,0,0,0|1,1,0]=4 381 B14R1.134 COC(=O)C(=CC1=CC=C(C=C1)O)O CNP0199127.0 [0,2,0,0,0,0|0,0,2]=4 382 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl CNP0355431.0 [0,2,0,0,0,0|0,0,0]=2 383 B14R1.134 COC(=O)C(O)CC1=CC=C(C=C1)O CNP0118416.0 [0,2,0,0,0,0|0,0,0]=2 384 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [0,2,0,0,0,0|0,0,0]=2 385 B14R1.134 COC(=O)[C@@H](C)NC1=CC=C(C=C1)C CNP0481771.2 [0,2,0,0,0,0|1,0,0]=3 386 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0122998.1 [0,2,0,0,0,0|0,0,0]=2 387 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=N1)O CNP0236104.1 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [0,2,0,0,0,0|0,0,0]=2 389 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(C=C1)C CNP0481771.1 [0,2,0,0,0,0|1,0,0]=3 390 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0118416.1 [0,2,0,0,0,0|0,0,0]=2 391 B14R1.134 N[C@H](CC1=CC=C(C=C1)I)C(=O)NO CNP0602089.1 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C CNP0157244.0 [0,2,0,0,0,0|0,0,2]=4 393 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [0,2,0,0,0,0|0,0,2]=4 394 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [0,2,0,0,0,0|0,0,0]=2 395 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [0,2,0,0,0,0|1,0,0]=3 396 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [0,2,0,0,0,0|1,0,0]=3 398 B14R1.727 COC(=O)C=CC1=CC=C(C=C1O)O CNP0266971.0 [0,2,0,0,0,0|0,0,2]=4 399 B14R1.727 COC(=O)CCC1=CC=C(C=C1O)O CNP0594204.0 [0,2,0,0,0,0|0,0,0]=2 400 B14R1.727 COC(=O)COC1=CC=C(C=C1Cl)Cl CNP0124604.0 [0,2,0,0,0,0|1,0,0]=3 401 B14R1.833 COC(=O)C=CC1=CC=C(C(=C1)O)O CNP0274791.0 [0,2,0,0,0,0|0,0,2]=4 402 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [0,2,0,0,0,0|0,0,0]=2 403 B14R1.32 CCOC(=O)CSC1=CC=CC(=N1)Cl CNP0173697.0 [0,2,0,0,0,0|2,0,0]=4 404 B14R1.135 COC(=O)[C@@H](C)NC1=CC=CC(=C1)Br CNP0482696.2 [0,2,0,0,0,0|1,0,0]=3 405 B14R1.135 COC(=O)[C@@H](C)NC1=CC=CC(=C1)C CNP0521176.2 [0,2,0,0,0,0|1,0,0]=3 406 B14R1.135 COC(=O)[C@H](C)NC1=CC=CC(=C1)Br CNP0482696.1 [0,2,0,0,0,0|1,0,0]=3 407 B14R1.135 COC(=O)[C@H](C)NC1=CC=CC(=C1)C CNP0521176.1 [0,2,0,0,0,0|1,0,0]=3 408 B14R1.820 COC(=O)C=CC1=CC(=CC=C1O)O CNP0327092.0 [0,2,0,0,0,0|0,0,2]=4 409 B14R1.825 COC(=O)C=CC1=CC(=CC(=C1)O)O CNP0270285.0 [0,2,0,0,0,0|0,0,2]=4 410 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,2,0,0,0,0|0,0,1]=3 411 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [0,2,0,0,0,0|1,0,1]=4 412 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [0,2,0,0,0,0|0,0,0]=2 413 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [0,2,0,0,0,0|0,0,0]=2 414 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 CNP0240721.0 [0,2,0,0,0,0|0,0,2]=4 415 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 CNP0402399.0 [0,2,0,0,0,0|1,0,0]=3 416 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CNP0222285.0 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [0,2,0,0,0,0|0,0,2]=4 418 B14R1.156 CCCOC(=O)CCC1=CC=CC=C1 CNP0546590.0 [0,2,0,0,0,0|0,0,0]=2 419 B14R1.156 CSC=CC(=O)OCC1=CC=CC=C1 CNP0107090.0 [0,2,0,0,0,0|1,1,0]=4 420 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CNP0036736.0 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.156 O=C(CCC1=CC=CC=C1)OCCO CNP0364264.0 [0,2,0,0,0,0|0,0,0]=2 422 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CNP0242577.0 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1C CNP0298915.0 [0,2,0,0,0,0|0,0,2]=4 424 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1N CNP0070575.0 [0,2,0,0,0,0|0,0,2]=4 425 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1O CNP0145722.0 [0,2,0,0,0,0|0,0,2]=4 426 B14R1.598 CCOC(=O)CCC1=CC=CC=C1O CNP0147042.0 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl CNP0301851.0 [0,2,0,0,0,0|1,0,0]=3 428 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C CNP0329881.0 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.818 CC(=O)O[C@H](C)CCC1=CC=CC=C1 CNP0146654.1 [0,2,0,0,0,0|1,0,1]=4 431 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 CNP0227794.0 [0,2,0,0,0,0|2,0,0]=4 432 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 CNP0180499.0 [0,2,0,0,0,0|0,0,2]=4 433 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,2,0,0,0,0|0,0,0]=2 434 B14R1.1031 CC[C@@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.2 [0,2,0,0,0,0|1,0,0]=3 435 B14R1.1031 CC[C@H](NC1=CC=CC=C1)C(=O)OC CNP0570229.1 [0,2,0,0,0,0|1,0,0]=3 436 B14R1.1031 CNC(=O)C(CC1=CC=CC=C1)NO CNP0244726.0 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.2 [0,2,0,0,0,0|0,0,0]=2 438 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.1 [0,2,0,0,0,0|0,0,0]=2 439 B14R1.1031 COC(=O)[C@H](CC1=CC=CC=C1)NO CNP0292156.1 [0,2,0,0,0,0|0,0,0]=2 440 B14R1.1107 COC(=O)C(C)(C)CC1=CC=CC=C1 CNP0023760.0 [0,2,0,0,0,0|0,0,0]=2 441 B14R1.3099 CC(C)(C)C(=O)OCC1=CC=CC=C1 CNP0510182.0 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.3099 O=C(CCC1=CC=CC=C1)C(Br)(Br)Br CNP0503741.0 [0,2,0,0,0,0|2,0,0]=4 443 B14R1.863 COC(=O)C=CC1=CC=CC=C1OC CNP0229234.0 [0,2,0,0,0,0|0,0,2]=4 444 B14R1.863 COC(=O)CCC1=CC=CC=C1OC CNP0311057.0 [0,2,0,0,0,0|0,0,0]=2 445 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [1,0,0,1,0,0|0,0,1]=3 446 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [1,0,0,1,0,0|2,0,0]=4 447 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [1,0,0,1,0,0|1,0,1]=4 448 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [1,0,0,1,0,0|1,0,1]=4 449 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,0,0,1,0,0|0,0,2]=4 451 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [1,0,0,1,0,0|0,0,2]=4 452 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [1,0,0,1,0,0|1,0,0]=3 453 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [1,0,0,1,0,0|0,0,0]=2 454 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [1,0,0,1,0,0|1,0,0]=3 455 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [1,0,0,1,0,0|0,0,0]=2 456 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [1,0,0,1,0,0|1,0,0]=3 458 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [1,0,0,1,0,0|0,0,0]=2 459 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [1,0,0,1,0,0|0,0,0]=2 460 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,0,0,1,1,0|2,0,0]=4 461 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,0,0,1,1,0|1,0,0]=3 462 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,0,0,1,1,0|2,0,0]=4 463 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,1,0|2,0,0]=4 464 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,0,0,1,1,0|1,1,0]=4 465 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,1|0,0,1]=3 466 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,1|1,0,0]=3 467 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,1|1,0,0]=3 468 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,1|0,0,0]=2 469 B14R2.95 COC(=O)C1=CNC2=CC=CC=C12 CNP0153897.0 [0,0,0,1,0,1|0,0,2]=4 470 B14R2.958 CNC(=O)[C@H]1O[C@@H]1C2=CC=CC=C2 CNP0208614.1 [0,0,0,1,0,1|1,0,0]=3 471 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,0,0,1,0,1|1,0,0]=3 472 B14R2.4514 CN1C(=O)CC[C@@H]1C2=CC=CN=C2 CNP0148535.2 [0,0,0,1,0,1|2,0,0]=4 473 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 CNP0148535.1 [0,0,0,1,0,1|2,0,0]=4 474 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,0,0,1,0,1|1,0,0]=3 475 B14R2.21 O=C1CCN[C@H](C1)C2=CC=CC=C2 CNP0102925.1 [0,1,0,1,0,0|1,0,0]=3 476 B14R2.21 O=C1CCO[C@H](C1)C2=CC=CC=C2 CNP0112018.1 [0,1,0,1,0,0|1,0,0]=3 477 B14R2.260 O=C1OC(CC1O)C2=CC=CC=C2 CNP0557942.0 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.2950 CC1CC(CO1)(C)C2=CC=CC=C2 CNP0350839.0 [0,1,0,1,0,0|1,0,1]=4 479 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 CNP0209784.0 [0,1,0,1,0,0|1,0,1]=4 480 B14R2.5632 O=C1C=CC2=CC=CC(=C2CO1)O CNP0282456.0 [0,1,0,1,0,0|0,0,2]=4 481 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]=4 482 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]=4 483 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]=4 484 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]=4 485 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 CNP0071140.0 [0,1,0,1,0,0|2,0,0]=4 486 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]=4 487 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]=4 488 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]=4 489 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]=4 490 B14R2.598 O=C1C=C([C@@H](O1)O)C2=CC=CC=C2 CNP0314934.1 [0,1,0,1,0,0|0,0,2]=4 491 B14R2.5548 O=S1(=O)CCC2=CC=CC=C2CC1 CNP0057633.0 [0,1,0,1,0,0|2,0,0]=4 492 B14R2.441 CC1(C(=O)N[C@@H]1C2=CC=CC=C2)C CNP0117080.2 [0,1,0,1,0,0|2,0,0]=4 493 B14R2.441 CC1(C(=O)N[C@H]1C2=CC=CC=C2)C CNP0117080.1 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,1,0|1,0,0]=3 495 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,1,0|1,0,1]=4 496 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,1,0|0,0,0]=2 498 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,1,0|1,0,0]=3 499 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,1,0|1,0,0]=3 500 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,1,0|1,1,0]=4 502 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,1,0|1,0,1]=4 503 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,1,0|2,0,0]=4 504 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,1,0|1,0,1]=4 505 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,1,0|1,0,1]=4 506 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,1,0|1,0,1]=4 507 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,1,0|1,0,1]=4 508 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,1,0|2,0,0]=4 509 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,1,0|1,0,0]=3 510 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,1,0|2,0,0]=4 511 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,1,0|2,0,0]=4 512 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,1,0|1,0,0]=3 513 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,1,0|1,0,0]=3 514 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,1,0|0,0,0]=2 515 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,1,0|1,0,0]=3 516 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,1,0|1,0,0]=3 517 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [1,0,0,0,1,0|2,0,0]=4 518 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [1,0,0,0,1,0|2,0,0]=4 519 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [1,0,0,0,1,0|2,0,0]=4 520 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [1,0,0,0,1,0|2,0,0]=4 521 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [1,0,0,0,1,0|2,0,0]=4 522 B10R1.66 O=C(O)CCN1C=CN=C1 CNP0153546.0 [1,0,0,0,1,0|2,0,0]=4 523 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,0,0,0,2,0|2,0,0]=4 524 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,2,0|1,0,1]=4 525 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,2,0|1,0,1]=4 526 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,2,0|2,0,0]=4 527 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,2,0|1,0,0]=3 528 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,2,0|2,0,0]=4 529 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,2,0|1,0,0]=3 530 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,2,0|2,0,0]=4 531 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,2,0|0,0,0]=2 532 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,2,0|1,0,0]=3 533 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,2,0|1,0,0]=3 534 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,0,0,0,2,0|2,0,0]=4 535 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,2,0|1,0,1]=4 536 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,2,0|0,1,0]=3 537 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,2,0|2,0,0]=4 538 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,2,0|2,0,0]=4 539 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,2,0|2,0,0]=4 540 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,2,0|2,0,0]=4 541 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,2,0|2,0,0]=4 542 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,2,0|2,0,0]=4 543 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,2,0|2,0,0]=4 544 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,0,0,0,0,2|1,0,0]=3 545 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,0,0,0,0,2|1,0,0]=3 546 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,0,0,0,0,2|1,0,1]=4 547 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,0,0,0,0,2|1,0,0]=3 548 B14R1.716 COC(=O)C=CC=CC1=CC=CC=C1 CNP0143962.0 [0,0,0,0,0,2|0,0,2]=4 549 B14R1.716 COC(O)CCCCC1=CC=CC=C1 CNP0609221.0 [0,0,0,0,0,2|0,0,2]=4