0 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,0,0|2,1,0]=3 10 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [1,0,0,0,0,0|0,0,3]=4 16 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCC=CCC1=CC=CCC1 CNP0292833.0 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,0,0,0,0,0|2,0,1]=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|3,0,0]=4 32 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|0,0,0]=1 37 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [1,0,0,0,0,0|2,1,0]=4 47 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.11 CCC(C)OC(=O)C1=CC=CC=C1 CNP0609113.0 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.11 CCC(O)CC(O)C1=CC=CC=C1 CNP0116597.0 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.15 CCC(=O)C=CC1=CC=CC(=O)O1 CNP0574296.0 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,1,0,0,0,0|1,0,2]=4 76 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,1,0,0,0,0|0,0,1]=2 78 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,1,0,0,0,0|1,1,0]=3 82 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,1,0,0,0,0|1,1,0]=3 85 B13R1.42 C[C@H](CCO)CCC1=CC=CC=C1 CNP0269177.1 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,1,0,0,0,0|1,0,2]=4 87 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.42 [O-][S@@+](CCO)SCC1=CC=CC=C1 CNP0575702.1 [0,1,0,0,0,0|1,1,1]=4 90 B13R1.42 [O-][S@@H+](CCO)SCC1=CC=CC=C1 CNP0546954.1 [0,1,0,0,0,0|1,1,1]=4 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|2,0,1]=4 93 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,1,0,0,0,0|2,0,0]=3 101 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|3,0,0]=4 103 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(C)C(=O)C=CC1=CC=CC=C1 CNP0418879.0 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.351 C[C@H](N)C(=O)/C=C/C1=CC=CC=C1 CNP0295050.1 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.417 CCN(CC)CCC1=CC=CC=C1 CNP0207277.0 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.417 CN=C(NC)NCC1=CC=CC=C1 CNP0598029.0 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,1,0,0,0,0|2,0,1]=4 110 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.10 CC1COC(O1)C2=CC=CC=C2 CNP0291344.0 [0,0,0,1,0,0|2,0,1]=4 112 B13R2.10 ClC1=NN(CC1)C2=CC=CC=C2 CNP0415202.0 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 CNP0064573.0 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,0|2,0,1]=4 116 B13R2.10 O=C1CC[C@H](N1)C2=CC=CN=C2 CNP0119552.1 [0,0,0,1,0,0|2,0,0]=3 117 B13R2.10 O=C1CNC(=N1)C2=CC=CC=C2 CNP0040410.0 [0,0,0,1,0,0|2,0,1]=4 118 B13R2.10 O=C1CSC(=N1)C2=CC=CC=C2 CNP0049999.0 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,0|1,0,0]=2 120 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,0|1,0,0]=2 121 B13R2.10 OC1=NC(CC1)C2=CC=CN=C2 CNP0597392.0 [0,0,0,1,0,0|2,0,1]=4 122 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,0,0,1,0,0|1,1,0]=3 123 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,0,0,1,0,0|1,1,0]=3 124 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,0,0,1,0,0|1,1,0]=3 125 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,0,0,1,0,0|2,0,1]=4 126 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,0,0,1,0,0|2,0,1]=4 127 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,0,0,1,0,0|1,0,0]=2 128 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,0,0,1,0,0|2,0,0]=3 129 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,0,0,1,0,0|2,0,1]=4 130 B13R2.57 CCC1=CN=C2C=CC=CC2=N1 CNP0522044.0 [0,0,0,1,0,0|3,0,0]=4 131 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,0,0,0,1,0|1,0,0]=2 133 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,0,0,0,1,0|1,1,0]=3 134 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,1,0|2,0,1]=4 135 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,1,0|0,0,0]=1 136 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,1,0|1,0,0]=2 137 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,1,0|0,0,0]=1 138 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,1,0|1,0,1]=3 139 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,1,0|1,0,0]=2 140 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,1,0|2,0,1]=4 141 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,1,0|2,0,1]=4 142 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,1,0|1,0,0]=2 143 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,1,0|2,1,0]=4 144 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,1,0|1,0,1]=3 145 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,0,0,0,1,0|2,0,1]=4 148 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,0,0,0,1,0|2,0,1]=4 149 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,1,0|2,0,0]=3 150 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,1,0|2,0,0]=3 151 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,0,0,0,1,0|1,0,2]=4 152 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,0,0,0,1,0|1,0,2]=4 153 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,0,0,1,0|2,1,0]=4 154 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,0,0,0,0,1|1,0,0]=2 155 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,0,0,0,0,1|0,0,0]=1 156 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,0,0,0,0,1|2,0,1]=4 157 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,0,0,0,0,1|2,0,1]=4 158 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,0,0,0,0,1|2,0,0]=3 160 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|1,0,0]=3 161 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [1,0,1,0,0,0|1,0,0]=3 162 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,1,0,0,0|1,0,1]=4 163 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 166 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|0,0,1]=3 167 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [2,0,0,0,0,0|0,0,1]=3 168 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [2,0,0,0,0,0|1,0,1]=4 169 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [2,0,0,0,0,0|0,0,0]=2 172 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [2,0,0,0,0,0|0,1,0]=3 173 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [2,0,0,0,0,0|1,0,1]=4 176 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [2,0,0,0,0,0|1,1,0]=4 178 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [2,0,0,0,0,0|1,0,1]=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|1,0,1]=4 182 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|1,0,0]=3 183 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|0,0,0]=2 186 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [2,0,0,0,0,0|1,1,0]=4 190 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [2,0,0,0,0,0|1,1,0]=4 192 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,1,0,0,0,0|0,0,1]=3 198 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.28 CCC=CCC1=CC=CC(=O)O1 CNP0355411.0 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [1,1,0,0,0,0|0,0,2]=4 204 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,1,0,0,0,0|0,0,0]=2 214 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|1,0,1]=4 234 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [1,1,0,0,0,0|0,0,0]=2 239 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [1,1,0,0,0,0|0,0,0]=2 250 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [1,1,0,0,0,0|0,0,0]=2 253 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [0,1,0,0,1,0|1,0,1]=4 256 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [0,1,0,0,1,0|1,0,0]=3 257 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,1,0,0,1,0|1,1,0]=4 259 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,1,0|1,0,1]=4 260 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,1,0|1,0,1]=4 262 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,1,0,0,1,0|1,0,0]=3 265 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,1,0,0,1,0|1,0,0]=3 266 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,1,0,0,1,0|1,0,0]=3 268 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,1,0|0,0,0]=2 270 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,1,0|1,0,1]=4 274 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,1,0,0,1,0|1,0,0]=3 275 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,1,0|1,0,0]=3 276 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,1,0,0,1,0|2,0,0]=4 278 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,1,0,0,0,1|0,0,0]=2 279 B14R1.163 CCC(=O)OC[C@H](O)C1=CC=CC=C1 CNP0242418.1 [0,1,0,0,0,1|0,0,0]=2 280 B14R1.163 COC(=O)CC[C@H](O)C1=CC=CC=C1 CNP0285839.1 [0,1,0,0,0,1|2,0,0]=4 281 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 CNP0403031.0 [0,1,0,0,0,1|1,0,0]=3 282 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 CNP0079810.0 [0,1,0,0,0,1|0,0,0]=2 283 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CNP0003357.0 [0,1,0,0,0,1|1,0,0]=3 284 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CNP0190638.0 [0,1,0,0,0,1|1,0,0]=3 285 B14R1.520 O=C(CCO)OCCC1=CC=CC=C1 CNP0118006.0 [0,1,0,0,0,1|0,0,0]=2 286 B14R1.756 CC=C(C)C(=O)OCC1=CC=CC=C1 CNP0244771.0 [0,1,0,0,0,1|1,0,1]=4 287 B14R1.756 CC[C@@H](C)C(=O)OCC1=CC=CC=C1 CNP0174832.1 [0,1,0,0,0,1|1,0,1]=4 288 B14R1.756 COC(=O)[C@@H](C)CCC1=CC=CC=C1 CNP0179092.2 [0,1,0,0,0,1|2,0,0]=4 289 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CNP0313908.1 [0,1,0,0,0,1|2,0,0]=4 290 B14R1.756 COC(=O)[C@H](C)CCC1=CC=CC=C1 CNP0179092.1 [0,1,0,0,0,1|2,0,0]=4 291 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CNP0313908.2 [0,1,0,0,0,1|2,0,0]=4 292 B14R1.756 CSC(=O)N(C)CCC1=CC=CC=C1 CNP0078296.0 [0,1,0,0,0,1|2,0,0]=4 293 B14R1.837 COC(=O)NCCC1=CC=CC=C1N CNP0030218.0 [0,1,0,0,0,1|2,0,0]=4 294 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 CNP0103437.0 [0,1,0,0,0,1|1,0,0]=3 295 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 CNP0142246.0 [0,1,0,0,0,1|0,0,0]=2 296 B14R1.6449 CC(O)C(=O)NC=CC1=CC=CC=C1 CNP0535102.0 [0,1,0,0,0,1|1,0,1]=4 297 B14R1.6449 CC(O)C(=O)OCCC1=CC=CC=C1 CNP0489052.0 [0,1,0,0,0,1|0,0,0]=2 298 B14R1.29 CCCC(=O)NN(C)C1=CC=CC=C1 CNP0022032.0 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 CNP0002786.0 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CNP0238620.0 [0,2,0,0,0,0|1,0,1]=4 301 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 CNP0417882.1 [0,2,0,0,0,0|1,0,0]=3 302 B14R1.85 COC(=O)[C@@H](N)[C@@H](C)C1=CC=CC=C1 CNP0524984.3 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.85 COC(=O)[C@@H](N)[C@H](C)C1=CC=CC=C1 CNP0524984.1 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)C1=CC=CC=C1 CNP0036227.1 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.85 COC(=O)[C@H](N)[C@@H](C)C1=CC=CC=C1 CNP0524984.4 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.85 COC(=O)[C@H](N)[C@H](C)C1=CC=CC=C1 CNP0524984.2 [0,2,0,0,0,0|2,0,0]=4 307 B14R1.415 CC(C)C(=O)C=C(O)C1=CC=CC=C1 CNP0258159.0 [0,2,0,0,0,0|1,0,1]=4 308 B14R1.415 CC(C)C(=O)CC(=O)C1=CC=CC=C1 CNP0104621.0 [0,2,0,0,0,0|1,0,1]=4 309 B14R1.415 CC(C)C(=O)OC(=O)C1=CC=CC=C1 CNP0166188.0 [0,2,0,0,0,0|0,0,1]=3 310 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 CNP0002787.0 [0,2,0,0,0,0|0,0,0]=2 311 B14R1.3297 COC(=O)C[C@@H](OC)C1=CC=CC=C1 CNP0247806.1 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.5 CCC(=O)C=CC1=CC=C(C=C1)OC CNP0191076.0 [0,2,0,0,0,0|1,0,1]=4 313 B14R1.5 CCC(=O)OCC1=CC=C(C=C1)OC CNP0085659.0 [0,2,0,0,0,0|0,0,0]=2 314 B14R1.5 COC(=O)CCC1=CC=C(C=C1)OC CNP0273183.0 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl CNP0355431.0 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.134 COC(=O)C(O)CC1=CC=C(C=C1)O CNP0118416.0 [0,2,0,0,0,0|2,0,0]=4 317 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [0,2,0,0,0,0|2,0,0]=4 318 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0122998.1 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0118416.1 [0,2,0,0,0,0|2,0,0]=4 321 B14R1.502 CCCC(=O)NNC1=CC=C(C=C1)C CNP0160302.0 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C CNP0157244.0 [0,2,0,0,0,0|1,0,1]=4 323 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [0,2,0,0,0,0|1,0,1]=4 324 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [0,2,0,0,0,0|1,0,0]=3 325 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [0,2,0,0,0,0|2,0,0]=4 326 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.727 COC(=O)CCC1=CC=C(C=C1O)O CNP0594204.0 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [0,2,0,0,0,0|2,0,0]=4 330 B14R1.32 CCCC(=O)NNC1=CC=CC(=C1)Cl CNP0047837.0 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [0,2,0,0,0,0|1,0,0]=3 334 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [0,2,0,0,0,0|1,0,0]=3 335 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CNP0222285.0 [0,2,0,0,0,0|0,0,0]=2 336 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 CNP0077243.0 [0,2,0,0,0,0|1,0,1]=4 337 B14R1.156 CCCOC(=O)CCC1=CC=CC=C1 CNP0546590.0 [0,2,0,0,0,0|1,0,0]=3 338 B14R1.156 CSC=CC(=O)OCC1=CC=CC=C1 CNP0107090.0 [0,2,0,0,0,0|0,0,1]=3 339 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CNP0036736.0 [0,2,0,0,0,0|0,0,0]=2 340 B14R1.156 O=C(C=CC1=CC=CC=C1)NCCO CNP0209791.0 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.156 O=C(CCC1=CC=CC=C1)OCCO CNP0364264.0 [0,2,0,0,0,0|1,0,0]=3 342 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CNP0242577.0 [0,2,0,0,0,0|0,0,0]=2 343 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1C CNP0298915.0 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1N CNP0070575.0 [0,2,0,0,0,0|1,0,1]=4 345 B14R1.598 CCOC(=O)C=CC1=CC=CC=C1O CNP0145722.0 [0,2,0,0,0,0|1,0,1]=4 346 B14R1.598 CCOC(=O)CCC1=CC=CC=C1O CNP0147042.0 [0,2,0,0,0,0|1,0,0]=3 347 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl CNP0301851.0 [0,2,0,0,0,0|2,0,0]=4 348 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C CNP0329881.0 [0,2,0,0,0,0|0,0,1]=3 349 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 CNP0232463.0 [0,2,0,0,0,0|0,0,0]=2 350 B14R1.818 CC(=O)CC(C)OCC1=CC=CC=C1 CNP0184746.0 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 CNP0227794.0 [0,2,0,0,0,0|0,0,0]=2 352 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 CNP0180499.0 [0,2,0,0,0,0|1,0,1]=4 353 B14R1.818 CC(C)OC(=O)CCC1=CC=CC=C1 CNP0542232.0 [0,2,0,0,0,0|1,0,0]=3 354 B14R1.818 NC(=O)NC(=O)OCC1=CC=CC=C1 CNP0227608.0 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.1031 CNC(=O)C(CC1=CC=CC=C1)NO CNP0244726.0 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.2 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC CNP0040111.1 [0,2,0,0,0,0|2,0,0]=4 358 B14R1.1031 COC(=O)[C@H](CC1=CC=CC=C1)NO CNP0292156.1 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.1107 COC(=O)C(C)(C)CC1=CC=CC=C1 CNP0023760.0 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.3099 CC(C)(C)C(=O)OCC1=CC=CC=C1 CNP0510182.0 [0,2,0,0,0,0|0,0,0]=2 361 B14R1.3099 O=C(CCC1=CC=CC=C1)C(Br)(Br)Br CNP0503741.0 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.863 COC(=O)CCC1=CC=CC=C1OC CNP0311057.0 [0,2,0,0,0,0|2,0,0]=4 363 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [1,0,0,1,0,0|2,0,0]=4 364 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [1,0,0,1,0,0|2,0,0]=4 365 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [1,0,0,1,0,0|2,0,0]=4 366 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,0,0,1,0,0|1,0,1]=4 367 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [1,0,0,1,0,0|0,0,0]=2 368 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [1,0,0,1,0,0|1,0,0]=3 369 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [1,0,0,1,0,0|2,0,0]=4 370 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,0,0,1,1,0|1,0,1]=4 374 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,0,0,1,1,0|1,0,1]=4 375 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,0,0,1,1,0|1,0,1]=4 376 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [0,0,0,1,1,0|1,0,0]=3 377 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,0,0,1,1,0|1,0,0]=3 378 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,0,0,1,1,0|1,0,0]=3 379 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,0,0,1,1,0|1,0,1]=4 380 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,1,0|1,0,0]=3 381 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,0,0,1,1,0|2,0,0]=4 382 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,0,0,1,1,0|2,0,0]=4 383 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,0,0,1,1,0|1,1,0]=4 384 B14R2.19 O=C1C=C(CO1)CC2=CC=CC=C2 CNP0220173.0 [0,0,0,1,0,1|2,0,0]=4 385 B14R2.19 O=C1CC[C@@H](N1)CC2=CC=CC=C2 CNP0343477.1 [0,0,0,1,0,1|1,0,0]=3 386 B14R2.19 O=C1CC[C@@H](O1)CC2=CC=CC=C2 CNP0280677.1 [0,0,0,1,0,1|0,0,0]=2 387 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 CNP0490847.1 [0,0,0,1,0,1|2,0,0]=4 388 B14R2.958 CNC(=O)[C@H]1O[C@@H]1C2=CC=CC=C2 CNP0208614.1 [0,0,0,1,0,1|1,0,0]=3 389 B14R2.4514 CC1C(=O)CCC1C2=CC=CC=C2 CNP0138853.0 [0,0,0,1,0,1|1,0,0]=3 390 B14R2.4514 CN1C(=O)OC[C@@H]1C2=CC=CC=C2 CNP0331634.1 [0,0,0,1,0,1|1,0,0]=3 391 B14R2.4514 C[C@@H]1[C@H](OCN1C)C2=CC=CC=C2 CNP0279171.2 [0,0,0,1,0,1|2,0,0]=4 392 B14R2.4514 C[C@H]1[C@@H](OCN1C)C2=CC=CC=C2 CNP0279171.1 [0,0,0,1,0,1|2,0,0]=4 393 B14R2.21 O=C1C=C(SCC1)C2=CC=CC=C2 CNP0044156.0 [0,1,0,1,0,0|1,0,1]=4 394 B14R2.21 O=C1CCC=C(O1)C2=CC=CC=C2 CNP0057103.0 [0,1,0,1,0,0|0,0,1]=3 395 B14R2.21 O=C1CCN[C@H](C1)C2=CC=CC=C2 CNP0102925.1 [0,1,0,1,0,0|1,0,0]=3 396 B14R2.21 O=C1CCO[C@H](C1)C2=CC=CC=C2 CNP0112018.1 [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|0,0,0]=2 398 B14R2.1019 CCC1=CC2=CC=CC=C2C(=O)O1 CNP0426577.0 [0,1,0,1,0,0|1,0,1]=4 399 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)O1 CNP0034319.0 [0,1,0,1,0,0|1,0,1]=4 400 B14R2.20 CC1=CC=C(C=C1)N2CCC(=O)N2 CNP0034344.0 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.20 O=C1CCN(N1)C2=CC=C(C=C2)Br CNP0180652.0 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.22 CC1=CC=CC(=C1)N2CCC(=O)N2 CNP0033755.0 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.5632 O=C1C=CC2=CC=CC(=C2CO1)O CNP0282456.0 [0,1,0,1,0,0|0,0,2]=4 404 B14R2.15 CC[C@@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.3 [0,1,0,1,0,0|1,0,0]=3 405 B14R2.15 CC[C@@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.1 [0,1,0,1,0,0|1,0,0]=3 406 B14R2.15 CC[C@H]1C(=O)N[C@@H]1C2=CC=CC=C2 CNP0065289.4 [0,1,0,1,0,0|1,0,0]=3 407 B14R2.15 CC[C@H]1C(=O)N[C@H]1C2=CC=CC=C2 CNP0065289.2 [0,1,0,1,0,0|1,0,0]=3 408 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 CNP0071140.0 [0,1,0,1,0,0|1,0,0]=3 409 B14R2.598 CC1N=C(OC1C2=CC=CC=C2)N CNP0480991.0 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.2 [0,1,0,1,0,0|0,0,0]=2 411 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.4 [0,1,0,1,0,0|0,0,0]=2 412 B14R2.598 C[C@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 CNP0138800.3 [0,1,0,1,0,0|0,0,0]=2 413 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 CNP0138800.1 [0,1,0,1,0,0|0,0,0]=2 414 B14R2.5548 O=S1(=O)CCC2=CC=CC=C2CC1 CNP0057633.0 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.441 CC1(C(=O)N[C@@H]1C2=CC=CC=C2)C CNP0117080.2 [0,1,0,1,0,0|1,0,0]=3 416 B14R2.441 CC1(C(=O)N[C@H]1C2=CC=CC=C2)C CNP0117080.1 [0,1,0,1,0,0|1,0,0]=3 417 B14R2.256 CC1=CC=CC=C1N2CCC(=O)N2 CNP0321253.0 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.256 O=C1CCN(N1)C2=CC=CC=C2Br CNP0228577.0 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.256 O=C1CCN(N1)C2=CC=CC=C2Cl CNP0039736.0 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,0,0,0,1,0|2,0,0]=4 421 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,1,0|1,0,0]=3 422 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,1,0|1,0,1]=4 423 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,1,0|0,0,0]=2 425 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,1,0|1,0,0]=3 426 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,1,0|0,0,0]=2 427 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,1,0|1,0,0]=3 428 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [1,0,0,0,1,0|1,0,1]=4 429 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,1,0|1,1,0]=4 430 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,1,0|1,0,1]=4 431 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,1,0|2,0,0]=4 432 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,1,0|1,0,1]=4 433 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,1,0|1,0,1]=4 434 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,1,0|1,0,1]=4 435 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,1,0|1,0,1]=4 436 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,1,0|2,0,0]=4 437 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,1,0|1,0,0]=3 438 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,1,0|2,0,0]=4 439 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,1,0|1,0,0]=3 441 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,1,0|1,0,0]=3 442 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,1,0|1,0,0]=3 443 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,1,0|2,0,0]=4 444 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,1,0|1,0,0]=3 445 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [1,0,0,0,1,0|1,0,0]=3 446 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [1,0,0,0,1,0|1,1,0]=4 447 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,0,0,0,2,0|1,0,0]=3 448 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,2,0|0,0,2]=4 449 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,2,0|0,0,2]=4 450 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,2,0|1,0,1]=4 451 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,2,0|0,0,0]=2 452 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,2,0|1,0,0]=3 453 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,2,0|1,0,1]=4 454 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,2,0|1,0,1]=4 455 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,2,0|0,0,2]=4 456 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,2,0|1,0,1]=4 457 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,2,0|1,0,0]=3 458 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,2,0|2,0,0]=4 459 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,2,0|1,0,0]=3 460 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,2,0|2,0,0]=4 461 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,2,0|2,0,0]=4 462 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,2,0|1,0,0]=3 463 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,2,0|1,0,1]=4 464 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,2,0|1,0,0]=3 465 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,2,0|2,0,0]=4 466 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,2,0|1,0,0]=3 467 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,2,0|1,0,0]=3 468 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,2,0|2,0,0]=4 469 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,2,0|1,0,1]=4 470 B14R1.716 CCC(=O)C=CCCC1=CC=CC=C1 CNP0331645.0 [0,0,0,0,0,2|1,0,0]=3 471 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,0,0,0,0,2|1,0,0]=3 472 B14R1.716 CCC(=O)OCC=CC1=CC=CC=C1 CNP0002421.0 [0,0,0,0,0,2|0,0,0]=2 473 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CNP0147172.0 [0,0,0,0,0,2|0,0,0]=2