0 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,0,0,0,0,0|0,0,0]=0 24 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,0,0,0,0,0|1,0,3]=4 27 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,0,0,0,0,0|0,0,4]=4 29 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,0,0,0,0,0|0,1,0]=1 31 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,0,0,0,0,0|2,1,1]=4 32 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,0,0,0,0,0|2,1,1]=4 33 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,0,0,0,0,0|2,0,2]=4 59 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|0,0,2]=3 73 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|0,0,2]=3 75 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|2,1,0]=4 78 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|2,1,0]=4 84 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|0,1,0]=2 95 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|0,0,1]=2 96 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|0,0,1]=2 97 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|0,0,1]=2 98 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|1,0,0]=2 105 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,2]=4 107 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|0,0,1]=2 121 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|0,1,1]=3 122 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|1,1,0]=3 123 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|2,1,0]=4 124 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|1,1,0]=3 133 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|1,1,1]=4 136 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,1,0,0,0,0|0,0,1]=2 144 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,1,0,0,0,0|0,0,2]=3 145 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.12 N#CC(=CCl)C1=CC=CC=C1 CNP0261686.0 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,1,0,0,0,0|0,0,1]=2 150 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,1,0,0,0,0|1,1,0]=3 153 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,0,0|0,0,0]=1 178 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,0,0|0,0,0]=1 179 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,0,0,0,0|0,0,0]=1 192 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,0,0,0,0|0,0,0]=1 193 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,0,0,0,0|0,0,0]=1 194 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,0,0,0,0|0,0,0]=1 195 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,0,0,0,0|1,1,0]=3 205 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,0,0|1,0,2]=4 207 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,0,0|1,0,2]=4 208 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,0,0|1,0,2]=4 212 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,0,0|1,0,2]=4 213 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,0,0|1,0,2]=4 214 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,0,0|0,0,0]=1 225 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,0,0|0,0,0]=1 226 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,0,0|0,0,0]=1 227 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,0,0|0,0,0]=1 232 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,0,1,0,0,0|2,0,1]=4 233 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,1,0,0|2,0,1]=4 236 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|2,0,0]=3 238 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,1,0,0|3,0,0]=4 240 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|2,0,1]=4 241 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.1 N=C1ON=C2C1=CC=CN2 CNP0272100.0 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.1 N=C1ON=C2C1=CNC=C2 CNP0283866.0 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.1 N=C1ON=C2N1C=CC=C2 CNP0197743.0 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.1 N=C1ONC2=CC=CN=C12 CNP0051116.0 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.1 N=C1ONC2=CC=NC=C12 CNP0173963.0 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.1 N=C1ONC2=CN=CC=C12 CNP0352829.0 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.1 NC1=C2C=CC=NC2=NO1 CNP0001255.0 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.1 NC1=C2C=CN=CC2=NO1 CNP0293891.0 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.1 NC1=C2C=NC=CC2=NO1 CNP0277328.0 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.1 NC1=C2N=CC=CC2=NO1 CNP0001258.0 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,1,0,0|2,0,0]=3 257 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|1,0,0]=2 258 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|2,0,0]=3 259 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|2,0,0]=3 260 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,1,0,0|1,0,1]=3 261 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|1,0,0]=2 262 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,1,0,0|3,0,0]=4 264 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,0,0,1,0,0|3,0,0]=4 265 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,1,0,0|2,0,0]=3 267 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|0,0,0]=1 268 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,1,0,0|1,0,1]=3 270 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,1,0,0|2,0,1]=4 271 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,0,0,1,0,0|2,0,1]=4 272 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,0,0,1,0,0|2,0,0]=3 273 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,0,0,1,0,0|2,0,0]=3 274 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,0,0,1,0,0|2,0,0]=3 275 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,0,0,1,0,0|3,0,0]=4 276 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,0,0,1,0|2,0,0]=3 278 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,0,0,0,1,0|1,0,0]=2 282 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,0,0,0,1,0|1,0,0]=2 283 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,0,0,0,1,0|1,0,0]=2 284 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,0,0,1,0|2,0,0]=3 286 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,0,1,0|1,0,2]=4 287 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,0,1,0|0,0,3]=4 289 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,0,0,0,1,0|1,1,0]=3 290 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,0,0,0,1,0|3,0,0]=4 291 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,0,0,0,1,0|3,0,0]=4 292 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,0,0,0,0,1|3,0,0]=4 293 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,1|3,0,0]=4 294 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,0,0,0,0,1|1,0,0]=2 295 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,0,0,0,0,1|1,0,0]=2 296 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,0,0,0,0,1|1,0,0]=2 297 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,0,0,0,0,1|2,0,1]=4 298 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,0,0,0,0,1|1,0,0]=2 299 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,0,0,0,0,1|2,0,1]=4 300 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,0,0,0,0,1|2,0,1]=4 301 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,0,0,0,0,1|0,0,3]=4 302 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,0,0,0,0,1|0,0,0]=1 303 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,0,0,0,0,1|0,1,0]=2 304 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,0,0,0,0,1|2,0,0]=3 305 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,0,0,0,0,1|2,0,0]=3 306 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,0,0,0,0,1|1,0,0]=2 307 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,0,0,0,0,1|2,0,0]=3 309 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,0,0,0,0,1|3,0,0]=4 310 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,0,0,0,1|2,1,0]=4 311 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,0,0,0,0,1|0,0,0]=1 312 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,1,0,0,0|0,0,1]=3 313 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [1,0,1,0,0,0|1,0,1]=4 314 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [1,0,1,0,0,0|1,0,1]=4 315 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|0,0,2]=4 316 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|1,0,0]=3 317 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,1,0,0,0|0,0,2]=4 318 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 319 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|0,0,2]=4 320 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|0,0,2]=4 321 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|0,0,2]=4 322 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 323 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,1]=3 324 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|1,0,1]=4 326 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,1]=3 327 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 328 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,1]=4 330 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,0]=2 332 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,0]=3 334 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,1]=3 335 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,0]=3 337 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 340 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 343 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 345 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,1]=3 349 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,1]=4 350 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,1]=4 351 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 352 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 353 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,1]=3 354 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,2]=4 355 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,1,1,0,0,0|1,0,0]=3 356 B10R0.55 CNC(=O)C=CC=CC(=O)O CNP0109951.0 [0,1,1,0,0,0|2,0,0]=4 357 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [0,1,1,0,0,0|1,0,0]=3 358 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,1,1,0,0,0|0,0,2]=4 359 B10R0.74 CC=CC#CC=CC(=O)OC CNP0382166.0 [0,1,1,0,0,0|0,0,2]=4 360 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|0,0,0]=2 361 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,2]=4 385 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|0,0,1]=3 392 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|0,0,1]=3 393 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|0,1,0]=3 403 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|0,0,1]=3 404 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|0,0,2]=4 408 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|0,1,1]=4 421 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|0,0,0]=2 440 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|0,0,0]=2 442 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|0,0,1]=3 450 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|0,0,1]=3 451 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|0,0,1]=3 452 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,1,0,0,0,0|0,0,1]=3 453 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|0,0,2]=4 466 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,1,0,0,0,0|0,0,0]=2 492 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [1,1,0,0,0,0|0,0,2]=4 495 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [1,1,0,0,0,0|0,0,2]=4 496 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,1,0,0,0,0|0,0,0]=2 500 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [1,1,0,0,0,0|0,0,2]=4 501 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|0,0,1]=3 512 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|0,0,1]=3 523 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|0,1,1]=4 537 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|0,0,1]=3 539 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|0,0,1]=3 540 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|0,0,1]=3 541 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|0,1,1]=4 542 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|0,1,1]=4 543 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|0,0,2]=4 548 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|0,1,1]=4 553 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|0,1,1]=4 569 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|0,1,1]=4 570 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,1,0,0,1,0|2,0,0]=4 571 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,1,0,0,1,0|1,0,0]=3 573 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.14 COC(=O)C1=CC(=CN1)Br CNP0239770.0 [0,1,0,0,1,0|1,0,0]=3 579 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,1,0,0,1,0|1,0,0]=3 580 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,0,1,0|1,0,1]=4 582 B10R1.14 COC(=O)C1=CCC(=O)N1 CNP0609465.0 [0,1,0,0,1,0|1,0,1]=4 583 B10R1.14 COC(=O)C1=NOC(=C1)C CNP0325290.0 [0,1,0,0,1,0|2,0,0]=4 584 B10R1.14 COC(=O)N1C=CC(=N1)C CNP0037180.0 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,1,0|2,0,0]=4 586 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,1,0,0,1,0|2,0,0]=4 588 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,1,0,0,1,0|2,0,0]=4 589 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [0,1,0,0,1,0|2,0,0]=4 592 B10R1.149 COC(=O)N1N=CC=C1C CNP0206322.0 [0,1,0,0,1,0|2,0,0]=4 593 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,1,0,0,0,1|1,0,1]=4 594 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,1,0,0,0,1|1,0,0]=3 595 B12R1.32 CCCC(=O)OC1=CC=CC=C1 CNP0002394.0 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.32 CCNC(=O)CC1=CC=CC=C1 CNP0069475.0 [0,1,0,0,0,1|1,0,0]=3 597 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CNP0112866.0 [0,1,0,0,0,1|0,0,0]=2 598 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CNP0116883.0 [0,1,0,0,0,1|0,0,0]=2 599 B12R1.32 CCOC(=S)NC1=CC=CC=C1 CNP0226110.0 [0,1,0,0,0,1|0,1,0]=3 600 B12R1.32 CCSC(=NC1=CC=CC=C1)N CNP0557297.0 [0,1,0,0,0,1|1,1,0]=4 601 B12R1.32 CNNC(=O)CC1=CC=CC=C1 CNP0042437.0 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,1,0,0,0,1|1,0,1]=4 603 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,1,0,0,0,1|0,0,0]=2 604 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.34 CNC(=S)N(O)C1=CC=CC=C1 CNP0157171.0 [0,1,0,0,0,1|1,1,0]=4 606 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CNP0304624.0 [0,1,0,0,0,1|0,0,0]=2 607 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CNP0318507.2 [0,1,0,0,0,1|0,0,0]=2 608 B12R1.34 COC(=O)[C@@H](N)C1=CC=CN=C1 CNP0587073.1 [0,1,0,0,0,1|1,0,0]=3 609 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CNP0421747.1 [0,1,0,0,0,1|0,0,0]=2 610 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CNP0318507.1 [0,1,0,0,0,1|0,0,0]=2 611 B12R1.34 COC(=O)[C@H](N)C1=CC=CN=C1 CNP0587073.2 [0,1,0,0,0,1|1,0,0]=3 612 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 CNP0421747.2 [0,1,0,0,0,1|0,0,0]=2 613 B12R1.34 COC(O)C(=O)C1=CC=CC=C1 CNP0536152.0 [0,1,0,0,0,1|0,0,2]=4 614 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,1,0,0,0,1|1,0,1]=4 615 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,1|1,0,0]=3 617 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,1|1,0,0]=3 618 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 CNP0267765.0 [0,1,0,0,0,1|1,0,0]=3 620 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,1,0,0,0,1|1,0,0]=3 621 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 CNP0348092.0 [0,1,0,0,0,1|1,0,0]=3 622 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,1|1,0,0]=3 623 B12R1.43 C[C@@H](Cl)C(=O)NC1=CC=CC=C1 CNP0267765.1 [0,1,0,0,0,1|1,0,0]=3 624 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,0,1|1,0,0]=3 628 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,0,1|0,0,0]=2 629 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,0,1|1,0,0]=3 630 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,0,1|1,0,0]=3 631 B12R1.49 CSC(=NC1=CC=C(C=C1)N)S CNP0056621.0 [0,1,0,0,0,1|0,2,0]=4 632 B12R1.49 CSC(=S)NC1=CC=C(C=C1)Br CNP0058991.0 [0,1,0,0,0,1|0,2,0]=4 633 B12R1.49 CSC(=S)NC1=CC=C(C=C1)C CNP0048196.0 [0,1,0,0,0,1|0,2,0]=4 634 B12R1.49 CSC(=S)NC1=CC=C(C=C1)Cl CNP0031684.0 [0,1,0,0,0,1|0,2,0]=4 635 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,0,0,0,1|0,0,0]=2 637 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,1,0,0,0,1|0,0,2]=4 638 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 CNP0017641.0 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,1,0,0,0,1|0,0,0]=2 640 B12R1.371 COC(=O)CC1=COC=CC1=O CNP0157606.0 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.371 CSC(=S)NC1=CC=CC=C1C CNP0055826.0 [0,1,0,0,0,1|0,2,0]=4 642 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.9 COC(C)(C)C1=CC=C(C=C1)C CNP0279513.0 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 CNP0359925.0 [0,2,0,0,0,0|1,1,0]=4 645 B12R1.3 CCO[C@H](C#N)C1=CC=CC=C1 CNP0140613.1 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.3 O=CC(=CNO)C1=CC=CC=C1 CNP0028719.0 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|0,0,2]=4 649 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|0,0,2]=4 650 B12R1.13 COC(OC)C1=CC=CC(=C1)C CNP0611238.0 [0,2,0,0,0,0|0,0,2]=4 651 B12R1.478 CC(=O)C(=CN)C1=CC=CC=C1 CNP0043428.0 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 CNP0415741.0 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,2,0,0,0,0|0,0,1]=3 660 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,2,0,0,0,0|0,0,1]=3 661 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,2,0,0,0,0|0,0,1]=3 662 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|0,0,0]=2 664 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,2,0,0,0,0|0,0,0]=2 665 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|0,0,0]=2 666 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|0,0,2]=4 668 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,2,0,0,0,0|0,0,0]=2 672 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|0,0,0]=2 673 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|0,0,0]=2 674 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.30 C#CC#CC(=O)C1=CC=CC=C1 CNP0203539.0 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [0,2,0,0,0,0|0,0,0]=2 683 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.30 NCCNC(=O)C1=CC=CC=N1 CNP0456305.0 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [0,2,0,0,0,0|0,0,0]=2 689 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [0,2,0,0,0,0|0,0,1]=3 695 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|0,0,0]=2 697 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,2,0,0,0,0|0,0,0]=2 702 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,2,0,0,0,0|0,0,0]=2 705 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N CNP0062891.0 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.5 NNC(=O)C1=CC=C(C=C1)CBr CNP0035551.0 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C CNP0202223.0 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.20 CN(O)C(=O)C1=CC=C(C=C1)Br CNP0048624.0 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O CNP0491895.0 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)Cl CNP0533621.0 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.367 COC(=O)C1=CC=C(C(=C1)N)O CNP0023118.0 [0,2,0,0,0,0|0,0,0]=2 720 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)N CNP0083419.0 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)O CNP0279680.0 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.367 COC(=O)C1=COC(=O)C(=C1)Br CNP0152101.0 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.367 NCC(=O)C1=CC=C(C(=C1)O)O CNP0133774.0 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O CNP0501868.0 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,2,0,0,0,0|0,0,0]=2 729 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,2,0,0,0,0|0,0,0]=2 730 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,2,0,0,0,0|0,0,0]=2 731 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl CNP0071041.0 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.3435 COC(=O)C1(C=CC(=O)C=C1)O CNP0590041.0 [0,2,0,0,0,0|0,0,1]=3 735 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.225 CC1=CC=CC(=C1)C(=O)N(C)C CNP0208738.0 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,2,0,0,0,0|0,0,0]=2 738 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.358 CCC(=O)C1=CC(=CC(=C1)O)O CNP0081565.0 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)C CNP0134842.0 [0,2,0,0,0,0|0,0,0]=2 741 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)N CNP0330742.0 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)O CNP0192698.0 [0,2,0,0,0,0|0,0,0]=2 743 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,2,0,0,0,0|0,0,0]=2 747 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CNP0244459.0 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CNP0082491.0 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,2,0,0,0,0|0,0,0]=2 752 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [0,2,0,0,0,0|0,0,0]=2 753 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,2,0,0,0,0|0,0,0]=2 754 B12R1.77 NNC(=O)C1=CC=CC=C1CO CNP0075383.0 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.3441 COC(=O)C1=C(C=CC=C1O)C CNP0214787.0 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O CNP0175842.0 [0,2,0,0,0,0|0,0,0]=2 757 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,0,1,1,0,0|2,0,0]=4 758 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,0,1,1,0,0|1,0,0]=3 759 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,0,1,1,0,0|2,0,0]=4 760 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,0,1,1,0,0|2,0,0]=4 761 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|0,0,2]=4 762 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|0,0,2]=4 763 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,1]=4 764 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,1]=4 765 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,1]=4 766 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,1]=4 767 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,1]=4 768 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,1]=4 769 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|0,0,0]=2 770 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|0,0,2]=4 771 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|0,0,2]=4 772 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,0]=3 773 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|2,0,0]=4 774 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|0,0,1]=3 775 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|1,0,0]=3 776 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|0,1,1]=4 777 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|2,0,0]=4 778 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,1]=4 779 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|0,0,1]=3 780 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|2,0,0]=4 781 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|2,0,0]=4 782 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 783 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|2,0,0]=4 784 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|2,0,0]=4 785 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|2,0,0]=4 786 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|2,0,0]=4 787 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|2,0,0]=4 788 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,1,0|2,0,0]=4 789 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,0,0,1,0,1|1,0,1]=4 790 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,0,0,1,0,1|2,0,0]=4 791 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,0,0,1,0,1|2,0,0]=4 792 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,0,0,1,0,1|2,0,0]=4 793 B12R2.18 CC1C(=O)OC2=CN=CC=C12 CNP0564077.0 [0,0,0,1,0,1|2,0,0]=4 794 B12R2.18 CN1C(=NC2=CC=CC=C12)N CNP0056889.0 [0,0,0,1,0,1|2,0,0]=4 795 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,0,0,1,0,1|1,0,0]=3 796 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,0,0,1,0,1|1,0,0]=3 797 B12R2.18 CN1C(=S)SC2=CC=CC=C12 CNP0018105.0 [0,0,0,1,0,1|1,1,0]=4 798 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,0,0,1,0,1|1,0,1]=4 799 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,0,0,1,0,1|1,0,0]=3 800 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,0,0,1,0,1|2,0,0]=4 801 B12R2.18 O=C1NC2=CC=CC=C2[C@@H]1O CNP0273186.1 [0,0,0,1,0,1|2,0,0]=4 802 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,1|1,0,1]=4 803 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,1|1,0,1]=4 804 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,1|1,0,1]=4 805 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,1|0,0,0]=2 806 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|1,0,0]=3 807 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|1,0,0]=3 808 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|1,0,0]=3 809 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,1|2,0,0]=4 810 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,1|2,0,0]=4 811 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,1|1,0,1]=4 812 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,0,0,1,0,1|2,0,0]=4 813 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,0,0,1,0,1|1,1,0]=4 814 B12R2.32 CNC1=NC2=CC=CC=C2S1 CNP0054495.0 [0,0,0,1,0,1|1,1,0]=4 815 B12R2.32 COC1=NC2=CC=CC=C2S1 CNP0023995.0 [0,0,0,1,0,1|0,1,0]=3 816 B12R2.32 CSC1=NC2=CC=CC=C2S1 CNP0071009.0 [0,0,0,1,0,1|0,2,0]=4 817 B12R2.1541 COC(=O)C12C=CC=CC1O2 CNP0242156.0 [0,0,0,1,0,1|0,0,2]=4 818 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,1,0,0|2,0,0]=4 824 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,1,0,1,0,0|1,0,1]=4 827 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [0,1,0,1,0,0|1,0,1]=4 828 B12R2.2 C1=CC=C(C=C1)C2=CON=C2 CNP0452957.0 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,1,0,1,0,0|1,0,1]=4 831 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,1,0,1,0,0|1,0,1]=4 832 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|1,0,0]=3 834 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|1,0,0]=3 835 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|0,0,0]=2 836 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,1,0,1,0,0|1,0,1]=4 838 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,1,0,1,0,0|1,0,1]=4 839 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|1,0,0]=3 840 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,1,0,1,0,0|0,0,1]=3 841 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|0,0,0]=2 842 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|1,0,1]=4 845 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|1,0,0]=3 849 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|1,0,0]=3 852 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,1,0,1,0,0|2,0,0]=4 853 B12R2.2028 N=C1OC(=O)C2=CC=CN=C12 CNP0140879.0 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,1,0,0|0,0,1]=3 856 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [0,1,0,1,0,0|1,0,1]=4 857 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [0,1,0,1,0,0|0,0,0]=2 858 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [0,1,0,1,0,0|0,0,0]=2 859 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [0,1,0,1,0,0|0,0,0]=2 860 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,1,0,0|0,1,1]=4 861 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|1,0,0]=3 862 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|1,0,0]=3 863 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|0,0,0]=2 864 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|1,0,0]=3 865 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|2,0,0]=4 866 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.612 OB1OCC2=CC(=CC=C12)Cl CNP0572392.0 [0,1,0,1,0,0|1,0,1]=4 868 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|1,0,0]=3 870 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|2,0,0]=4 871 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|1,0,0]=3 872 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|0,0,0]=2 873 B12R2.1094 CC1=CC=CC2=C1C(=O)C2=O CNP0039191.0 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|0,0,0]=2 875 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|1,0,0]=3 876 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|0,0,0]=2 877 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|1,0,0]=3 878 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|1,0,0]=3 879 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|1,0,0]=3 880 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|1,0,0]=3 881 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|1,0,0]=3 882 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,0,0,0,1,0|2,0,0]=4 883 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,0,0,0,1,0|2,0,0]=4 884 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|1,0,0]=3 885 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [1,0,0,0,1,0|2,0,0]=4 886 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|2,0,0]=4 887 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 888 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 889 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|1,0,0]=3 890 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|1,0,0]=3 891 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,0,0,0,1,0|2,0,0]=4 892 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|1,0,0]=3 893 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,0,0,0,1,0|2,0,0]=4 894 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|1,0,0]=3 895 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|2,0,0]=4 896 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|1,0,0]=3 897 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,0,0,0,1,0|2,0,0]=4 898 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,0,0,0,1,0|2,0,0]=4 899 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|1,0,1]=4 901 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,0,0,0,0,2|1,0,0]=3 902 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,0,0,0,0,2|1,0,0]=3 903 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,0,0,0,0,2|1,0,0]=3 904 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,0,0,0,0,2|1,0,0]=3 905 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,0,0,0,2|0,0,0]=2 906 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,0,0,0,2|1,0,0]=3 907 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,0,0,0,0,2|0,0,0]=2 908 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,0,0,0,0,2|0,1,0]=3 909 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,0,0,0,0,2|2,0,0]=4 910 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,0,0,0,0,2|2,0,0]=4 911 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,0,0,0,0,2|1,0,0]=3 912 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,0,0,0,0,2|2,0,0]=4