0 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,0,0,0,0,0|1,0,3]=4 13 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,0,0,0,0|0,0,1]=2 66 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,1,0,0,0,0|0,0,2]=3 101 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.509 C[Si](C)(C)NC1=CC=CC=C1 CNP0589865.0 [0,1,0,0,0,0|2,1,0]=4 109 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,0,1,0,0,0|2,0,1]=4 110 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,0,1,0,0,0|2,0,1]=4 111 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,0,1,0,0,0|2,0,1]=4 112 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,0|2,0,0]=3 115 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,1,0,0|2,0,0]=3 116 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,1,0,0|2,0,0]=3 117 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,0,0,1,0,0|1,0,0]=2 118 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,0,0|2,0,0]=3 119 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,0,0|2,0,0]=3 120 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,1,0|1,0,2]=4 122 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,0,0,1,0|1,0,2]=4 123 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,1,0|2,0,1]=4 124 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,1,0|1,0,1]=3 125 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,1,0|2,0,1]=4 126 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,1,0|1,0,0]=2 127 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,0,0,0,1,0|1,0,1]=3 129 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,0,0,0,1,0|1,0,0]=2 130 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,1,0|2,0,0]=3 131 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,1,0|2,0,0]=3 132 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,0,0,0,1,0|3,0,0]=4 133 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,1,0|2,0,0]=3 135 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,1,0|2,0,0]=3 136 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,1,0|2,0,0]=3 137 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,1,0|3,0,0]=4 138 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,1,0|2,0,1]=4 139 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,1,0|2,0,1]=4 140 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,1,0|2,0,1]=4 141 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,1,0|2,0,1]=4 142 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,1,0|2,0,1]=4 143 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,1,0|1,0,0]=2 144 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,0,0,0,1,0|0,0,3]=4 145 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,0,0,0,1,0|1,0,0]=2 146 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,1|1,0,1]=3 147 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,1|2,0,1]=4 148 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,1|2,0,1]=4 149 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,1|1,0,0]=2 150 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,0,0,0,0,1|1,0,0]=2 151 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,1|2,0,1]=4 152 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,0,0,0,1|2,0,1]=4 153 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,1|2,0,0]=3 154 B11R1.91 CN(C)N=NC1=CC=CC=C1 CNP0594797.0 [0,0,0,0,0,1|3,0,0]=4 155 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,0,0,0,0,1|1,0,1]=3 156 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,0,0,0,0,1|1,0,1]=3 157 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,1|2,0,0]=3 158 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,1,0,0,0|1,0,1]=4 159 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|1,0,0]=3 160 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,1,0,0,0|1,0,1]=4 161 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 162 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [1,0,1,0,0,0|1,0,1]=4 163 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,0]=3 165 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|0,0,0]=2 166 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 172 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [2,0,0,0,0,0|1,0,1]=4 177 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,1]=4 180 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 187 B10R0.75 C=C/C=C/C=C/[C@H](O)[C@H](C)O CNP0243909.1 [0,1,1,0,0,0|2,0,0]=4 188 B10R0.97 CC(C)CC=CC=CC(=O)N CNP0168929.0 [0,1,1,0,0,0|0,0,1]=3 189 B10R0.44 C=CC(=C)CC(=O)CC(C)C CNP0179446.0 [0,1,1,0,0,0|1,0,1]=4 190 B10R0.44 C=CC(=CC(=O)CC(C)C)C CNP0231823.0 [0,1,1,0,0,0|1,0,0]=3 191 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.10 CCSC1=NC(=O)C=CN1 CNP0293731.0 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,1,0,0,0,0|0,0,0]=2 244 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,1,0,0,0,0|0,0,0]=2 251 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,1,0|1,0,1]=4 265 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,1,0|1,0,0]=3 266 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,1,0|1,0,0]=3 267 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,1,0|2,0,0]=4 268 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,1,0|2,0,0]=4 271 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [0,1,0,0,1,0|1,0,1]=4 272 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [0,1,0,0,1,0|1,0,1]=4 273 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,1,0,0,1,0|1,0,1]=4 274 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,1,0,0,1,0|1,0,1]=4 275 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,1,0,0,1,0|1,0,0]=3 276 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,1,0|2,0,0]=4 277 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,1,0|2,0,0]=4 278 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,1,0,0,1,0|1,0,0]=3 280 B10R1.28 CC(C)(C)C1=CC=CCC1 CNP0063000.0 [0,1,0,0,1,0|1,0,1]=4 281 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,1,0,0,1,0|1,0,0]=3 282 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,1,0,0,1,0|2,0,0]=4 283 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,1,0,0,1,0|1,0,0]=3 284 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [0,1,0,0,1,0|1,0,1]=4 286 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,1,0|1,0,0]=3 287 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,1,0|1,0,1]=4 289 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,1,0|1,0,1]=4 290 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,1,0,0,1,0|1,0,0]=3 295 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.113 CC1=CC=CC(=N1)C(Br)Br CNP0382790.0 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,1,0,0,1,0|0,0,0]=2 298 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [0,1,0,0,1,0|1,0,0]=3 299 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,1,0,0,1,0|2,0,0]=4 301 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,1,0,0,1,0|1,0,1]=4 302 B10R1.23 C[C@@H](O)[C@H](N)C1=NC=CS1 CNP0540575.1 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.27 N[C@H](CO)CC1=CNC=N1 CNP0500405.1 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.281 CC(C)(N)CC1=CN=CN1 CNP0176584.0 [0,1,0,0,1,0|1,0,1]=4 305 B10R1.281 C[N+](C)(C)CC1=CC=CO1 CNP0606756.0 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,1,0,0,0,1|1,0,0]=3 307 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,1,0,0,0,1|2,0,0]=4 309 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,1,0,0,0,1|2,0,0]=4 310 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,1|1,0,1]=4 311 B12R1.27 CC(COC1=CC=CC=C1)NN CNP0561827.0 [0,1,0,0,0,1|2,0,0]=4 312 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,1|1,0,0]=3 313 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,0,0,1|2,0,0]=4 314 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CNP0524813.0 [0,1,0,0,0,1|1,0,1]=4 315 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,1,0,0,0,1|2,0,0]=4 316 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,1|2,0,0]=4 317 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,1|2,0,0]=4 318 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,1|2,0,0]=4 319 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,1|1,0,1]=4 320 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,1|1,0,1]=4 321 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,1,0,0,0,1|1,0,1]=4 322 B12R1.107 CN(C)CC(=O)C1=CC=CC=C1 CNP0183220.0 [0,1,0,0,0,1|2,0,0]=4 323 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,0,0,1|1,0,0]=3 326 B12R1.125 CC(C)COC1=CC=CC=C1N CNP0436425.0 [0,1,0,0,0,1|1,0,0]=3 327 B12R1.226 CC1=CN=CC(=N1)CCC(C)C CNP0287921.0 [0,1,0,0,0,1|1,0,0]=3 328 B12R1.891 CC(C)(O)C#CC1=CC=CC=N1 CNP0406536.0 [0,1,0,0,0,1|0,0,1]=3 329 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,1,0,0,0,1|1,0,0]=3 330 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,1,0,0,0,1|2,0,0]=4 331 B12R1.210 CC(C)NC1=CC=CC=CC1=O CNP0242817.0 [0,1,0,0,0,1|2,0,0]=4 332 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Cl CNP0568459.0 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.106 C[N+](C)(C)CC1=CC=C(C=C1)O CNP0553852.0 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.233 CC1=CN=C(C(=N1)C)CC(C)C CNP0086327.0 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.34 CN=C(C)C(O)C1=CC=CC=C1 CNP0472629.0 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.34 CNC(C)[C@@H](O)C1=CC=CC=C1 CNP0171581.6 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.34 CNC(C)[C@H](O)C1=CC=CC=C1 CNP0171581.7 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.5 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.4 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 CNP0171581.2 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.34 CN[C@H](C)[C@H](O)C1=CC=CC=C1 CNP0171581.1 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.225 C[C@@H](C1=CC=CC(=C1)O)N(C)C CNP0551992.1 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(=C1)O CNP0262047.1 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 CNP0415741.0 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.564 CC(C)(C)B(O)C1=CC=CC=C1 CNP0520582.0 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.564 CC(C)(C)[S@+]([O-])C1=CC=CC=C1 CNP0571258.2 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.564 CC(C)(C)[S@@+]([O-])C1=CC=CC=C1 CNP0571258.1 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.564 CC(C)(C)[S@@H+]([O-])C1=CC=CC=C1 CNP0582013.1 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.564 CC(C)(O)[C@@H](O)C1=CC=CC=C1 CNP0049467.2 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.564 CC(C)(O)[C@H](O)C1=CC=CC=C1 CNP0049467.1 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.32 C#CCN(C)CC1=CC=CC=C1 CNP0312462.0 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.50 CCC(C)CC1=CN=CC(=N1)C CNP0195951.0 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.118 CNC(=NC1=CC=CC=N1)SC CNP0039638.0 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.118 COC(CC1=CC=CC=C1)OC CNP0268816.0 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.118 CSC(=NC1=CC=CC=N1)SC CNP0039113.0 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 CNP0070973.0 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.194 CC(C)(CC1=CC=CC=C1)NO CNP0387326.0 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 CNP0208726.0 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.127 CC1=CN=C(C(=N1)CC(C)C)C CNP0331264.0 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.151 CC(C)(N)CC1=CC=CC=C1Cl CNP0487708.0 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.224 C[C@H](O)CC1=CC=CC(=C1O)O CNP0207246.1 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.101 CC(C)CC1=CC(=CC(=O)O1)O CNP0442597.0 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.101 CC1=CC(=CC(=C1)OC(C)C)O CNP0583120.0 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.101 CC1=CC(=NC(=S)N1)NC(C)C CNP0345084.0 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.101 C[C@H](O)CC1=CC(=CC(=C1)O)O CNP0275743.1 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.438 COC1=CC=CC(=C1)CC(C)N CNP0080010.0 [0,2,0,0,0,0|2,0,0]=4 389 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|2,0,0]=4 390 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|2,0,0]=4 391 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|2,0,0]=4 392 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|0,0,2]=4 393 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,0]=3 394 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|2,0,0]=4 395 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|2,0,0]=4 396 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|2,0,0]=4 397 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [1,0,0,1,0,0|1,0,1]=4 398 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|0,0,0]=2 399 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,0]=3 400 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,0]=3 401 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|2,0,0]=4 402 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|2,0,0]=4 403 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|2,0,0]=4 404 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|2,0,0]=4 405 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|2,0,0]=4 406 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|2,0,0]=4 407 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,1|2,0,0]=4 408 B12R2.24 O[C@H]1CN=C2C=CC=CN2C1 CNP0248864.2 [0,0,0,1,0,1|1,0,1]=4 409 B12R2.24 O[C@H]1C[NH+]=C2C=CC=CN2C1 CNP0545554.1 [0,0,0,1,0,1|1,0,1]=4 410 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 CNP0261518.0 [0,0,0,1,0,1|2,0,0]=4 411 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,0,0,1,0,1|1,0,1]=4 412 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [0,0,0,1,0,1|1,0,1]=4 413 B12R2.2403 CC1(CNC2=CC=CC=C12)C CNP0335282.0 [0,0,0,1,0,1|1,0,0]=3 414 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|2,0,0]=4 415 B12R2.606 CC1=CN=C2CC(CC2=N1)C CNP0214911.0 [0,1,0,1,0,0|1,0,0]=3 416 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|1,0,1]=4 417 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|1,0,1]=4 418 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|1,0,1]=4 419 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,1,0,1,0,0|2,0,0]=4 420 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,1,0,0|2,0,0]=4 421 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,1,0,0|2,0,0]=4 422 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 CNP0172198.0 [0,1,0,1,0,0|1,0,1]=4 423 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [0,1,0,1,0,0|1,0,1]=4 424 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [0,1,0,1,0,0|1,0,1]=4 425 B12R2.202 C[C@@H]1CC2=CC=CC(=C2C1)O CNP0223083.1 [0,1,0,1,0,0|1,0,0]=3 426 B12R2.1095 C[C@@]1(CC2=CC=CC(=C12)Br)O CNP0062135.2 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.1095 C[C@@]1(CC2=CC=CC(=C12)Cl)O CNP0054451.1 [0,1,0,1,0,0|2,0,0]=4 428 B12R2.1095 C[C@]1(CC2=CC=CC(=C12)Br)O CNP0062135.1 [0,1,0,1,0,0|2,0,0]=4 429 B12R2.1095 C[C@]1(CC2=CC=CC(=C12)Cl)O CNP0054451.2 [0,1,0,1,0,0|2,0,0]=4 430 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,0,1,0,1,0|1,0,1]=4 431 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|1,0,0]=3 432 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|1,0,0]=3 433 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|1,0,0]=3 434 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [1,0,0,0,1,0|2,0,0]=4 435 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|2,0,0]=4 436 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,1,0|2,0,0]=4 437 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [1,0,0,0,1,0|2,0,0]=4 438 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|2,0,0]=4 439 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [1,0,0,0,1,0|2,0,0]=4 440 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|2,0,0]=4 441 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,2,0|0,0,1]=3 442 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,2,0|1,0,0]=3 443 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,0,0,0,2,0|1,0,0]=3 444 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,2,0|2,0,0]=4 445 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,0,0,0,2,0|2,0,0]=4 446 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,2,0|2,0,0]=4 447 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,2|1,0,1]=4 448 B12R1.252 CC(C)CN=CC1=CC=CC=C1 CNP0478741.0 [0,0,0,0,0,2|1,0,0]=3