0 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.113 C[N+]1=CC=CC(=C1)[N+](=O)[O-] CNP0526184.0 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.113 N=C1C=CC[C@@H](N1)C(=O)O CNP0181839.1 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,0,0,0,0,0|1,0,2]=3 42 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,0,0,0,0,0|1,0,2]=3 43 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,0,0,0,0,0|0,0,0]=0 47 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,0,0,0,0,0|1,0,2]=3 48 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,0,0,0,0,0|1,0,1]=2 49 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,0,0,0,0,0|1,0,0]=1 50 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,0,0,0,0,0|0,0,0]=1 66 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,0,0,0,0,0|0,0,1]=2 68 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|2,1,0]=4 84 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|0,0,0]=1 94 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|0,1,0]=2 101 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|0,0,1]=2 102 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|0,0,1]=2 103 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|0,0,1]=2 104 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|1,0,1]=3 112 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O CNP0490875.0 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.21 NC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0484931.0 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O CNP0398097.0 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [0,1,0,0,0,0|0,0,0]=1 165 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.74 O=C(O)C1=CC(=NC(=C1)Cl)Cl CNP0611630.0 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)O CNP0569904.0 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)[O-] CNP0579704.0 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.74 O=C(O)C1=CC(=O)NC(=O)N1 CNP0403686.0 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.74 O=C(O)C1=NC(=NC(=N1)O)O CNP0546328.0 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.74 O=C1C=C(CC(=O)O1)C(=O)O CNP0095523.0 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)O)O CNP0561927.0 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.155 CC(C)(C)C1=CC=CC(=C1)O CNP0077275.0 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)O CNP0197644.0 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.155 O=P(O)(O)C1=CC=CC(=C1)O CNP0441003.0 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.155 O=S(=O)(O)C1=CC=CC(=C1)O CNP0166325.0 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.159 N[C@@H]1C(=CC=C[C@H]1O)C(=O)O CNP0161245.1 [0,1,0,0,0,0|0,0,2]=3 191 B11R1.159 N[C@H]1C(=CC=C[C@@H]1O)C(=O)O CNP0161245.2 [0,1,0,0,0,0|0,0,2]=3 192 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,1,0,0,0,0|0,0,0]=1 194 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,1,0,0,0,0|0,0,1]=2 195 B11R1.159 O=C(O)C1=CC=C[C@@H]([C@H]1O)O CNP0176375.1 [0,1,0,0,0,0|0,0,2]=3 196 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,1,0,0,0,0|0,0,1]=2 198 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.167 CN1C=CC(=O)C(=C1)C(=O)N CNP0212515.0 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,1,0,0,0,0|0,0,0]=1 213 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Br CNP0575206.0 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0583325.0 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,1,0,0,0,0|0,0,0]=1 226 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,1,0,0,0,0|0,0,1]=2 229 B11R1.266 O=CC1=CC=CC(=C1)[N+](=O)[O-] CNP0576459.0 [0,1,0,0,0,0|1,0,2]=4 230 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [0,0,1,0,0,0|2,0,1]=4 231 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,0,1,0,0,0|1,0,1]=3 232 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,0,1,0,0,0|1,0,0]=2 233 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,0,1,0,0,0|1,0,2]=4 234 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,0,1,0,0,0|1,0,2]=4 235 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,0,0,1,0,0|2,0,0]=3 237 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,0,1,0|3,0,0]=4 239 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,0,0,0,1,0|3,0,0]=4 240 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,0,0,0,1,0|3,0,0]=4 241 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,0,0,0,1,0|2,0,0]=3 242 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,0,0,0,1,0|3,0,0]=4 243 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,0,0,0,1,0|2,0,0]=3 244 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,0,0,0,1,0|2,0,0]=3 246 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,0,0,0,1,0|3,0,0]=4 249 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,0,0,0,1,0|3,0,0]=4 250 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,0,0,0,1,0|1,0,0]=2 253 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,0,0,0,1,0|2,0,0]=3 254 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,0,0,0,1,0|1,0,0]=2 255 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,0,0,0,1,0|2,0,1]=4 256 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,0,0,0,1,0|1,0,2]=4 257 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,0,0,0,1,0|2,0,1]=4 258 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,0,0,0,1,0|1,0,0]=2 259 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,0,0,1,0|3,0,0]=4 262 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,0,0,1,0|2,0,0]=3 265 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,0,0,0,1,0|3,0,0]=4 267 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,0,0,0,1,0|3,0,0]=4 271 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,0,0,0,1,0|3,0,0]=4 272 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,0,0,0,1,0|2,0,0]=3 273 B9R1.41 O=C(O)C1=NON=C1O CNP0539501.0 [0,0,0,0,1,0|3,0,0]=4 274 B9R1.41 O=C(O)C1=NSN=C1O CNP0549412.0 [0,0,0,0,1,0|3,0,0]=4 275 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,0,0,0,0,1|2,0,0]=3 277 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,0,0,0,0,1|1,0,0]=2 279 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,0,0,0,0,1|3,0,0]=4 280 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,0,0,0,0,1|2,0,0]=3 281 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,0,0,0,0,1|1,0,0]=2 282 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,0,0,0,0,1|2,0,1]=4 283 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,0,0,0,0,1|1,0,0]=2 284 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,0,0,0,0,1|0,0,0]=1 285 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|0,0,1]=3 286 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [1,0,1,0,0,0|1,0,1]=4 287 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [1,0,1,0,0,0|1,0,1]=4 288 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [1,0,1,0,0,0|2,0,0]=4 289 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [1,0,1,0,0,0|1,0,1]=4 290 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [1,0,1,0,0,0|1,0,1]=4 291 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|0,0,2]=4 292 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|0,0,2]=4 293 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,1]=4 298 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 302 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 304 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 307 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 309 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,1]=3 313 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,1]=4 314 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,1]=4 315 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 316 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 317 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,1]=3 318 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 319 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [2,0,0,0,0,0|1,0,1]=4 320 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [2,0,0,0,0,0|1,0,1]=4 323 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [2,0,0,0,0,0|1,0,1]=4 326 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [2,0,0,0,0,0|0,0,1]=3 327 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [2,0,0,0,0,0|1,0,1]=4 328 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [2,0,0,0,0,0|1,0,0]=3 332 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [2,0,0,0,0,0|0,0,0]=2 334 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [2,0,0,0,0,0|0,0,2]=4 336 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,1,1,0,0,0|1,0,1]=4 337 B10R0.98 CC(=O)C=CC=C(C)C(=O)O CNP0156753.0 [0,1,1,0,0,0|0,0,2]=4 338 B10R0.98 CC(=O)C=CC=C(O)C(=O)O CNP0374205.0 [0,1,1,0,0,0|1,0,1]=4 339 B10R0.98 NC(=CC=CC(=O)O)C(=O)O CNP0360097.0 [0,1,1,0,0,0|1,0,0]=3 340 B10R0.98 O=C(O)C=CCC(=O)C(=O)O CNP0359492.0 [0,1,1,0,0,0|1,0,1]=4 341 B10R0.55 CNC(=O)C=CC=CC(=O)O CNP0109951.0 [0,1,1,0,0,0|0,0,2]=4 342 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [0,1,1,0,0,0|1,0,0]=3 343 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.2 N[C@H]1C(=CC=C[C@@H]1O)C=O CNP0272558.1 [1,1,0,0,0,0|0,0,2]=4 347 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [1,1,0,0,0,0|0,0,1]=3 349 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.8 CC1=CC(=CC(=C1)CO)C CNP0300262.0 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.8 COC1=CC(=CC(=C1)O)C CNP0325489.0 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.8 COC1=CC(=CC(=C1)O)O CNP0081787.0 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.8 O=C1C=C(C=C(O1)CO)O CNP0275450.0 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.8 O=C1C=C(OC(=C1)CO)O CNP0300817.0 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.8 O=CC1=CC(=CC(=C1)Cl)Cl CNP0440524.0 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.8 O=CC1=CC(=CC(=C1)O)O CNP0573224.0 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.8 OCC1=CC(=CC(=C1)O)O CNP0197323.0 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.30 O=C1OC=C(C=C1CO)O CNP0541420.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [1,1,0,0,0,0|0,0,1]=3 379 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.172 N#CC1=CC=CC(=N1)C=O CNP0065484.0 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|0,0,0]=2 428 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|0,0,1]=3 430 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|0,1,0]=3 440 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|0,0,1]=3 441 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|0,1,0]=3 465 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 482 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,1]=3 483 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,1]=3 484 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,2]=4 486 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|0,0,0]=2 500 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|0,0,0]=2 514 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|0,0,0]=2 515 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|0,0,0]=2 518 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|0,0,1]=3 525 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|0,0,1]=3 526 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|0,0,1]=3 527 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,1,0,0,0,0|0,0,1]=3 528 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.14 COC(=O)C1=CC(=CN1)Br CNP0239770.0 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,0,1,0|1,0,1]=4 534 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,1,0,0,1,0|2,0,0]=4 535 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,1,0,0,1,0|1,0,0]=3 539 B10R1.31 O=CC1=CC=C(N1)C(=O)O CNP0257574.0 [0,1,0,0,1,0|1,0,1]=4 540 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br CNP0157165.0 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.58 O=C(O)C1=CC(=C(O1)Br)Br CNP0394723.0 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,1,0,0,1,0|1,0,0]=3 543 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.59 O=C(O)C1=C(C=C(N1)Br)Br CNP0432593.0 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.59 O=C(O)C1=C(NC(=C1)Br)Br CNP0018025.0 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.194 O=C(O)C1=C(C(=CN1)Br)Br CNP0430934.0 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.194 O=C(O)C1=CSC(=C1Cl)Cl CNP0440279.0 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,0,1,0|2,0,0]=4 553 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,1,0,0,0,1|1,0,0]=3 554 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0068960.0 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.19 CC(=O)OC1=CC=C(C(=C1)Cl)Cl CNP0018261.0 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [0,1,0,0,0,1|1,0,0]=3 559 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,1,0,0,0,1|1,0,0]=3 560 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,1,0,0,0,1|1,0,0]=3 561 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,1,0,0,0,1|1,0,0]=3 563 B12R1.19 NC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0299483.0 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,1,0,0,0,1|1,0,0]=3 566 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,1,0,0,0,1|0,0,0]=2 567 B12R1.101 CC(=O)CC1=CC(=CC(=C1)O)O CNP0215843.0 [0,1,0,0,0,1|1,0,0]=3 568 B12R1.101 CC(=O)CC1=CC(=CC(=O)O1)O CNP0149763.0 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C CNP0595654.0 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.101 CC(=O)OC1=CC(=CC(=C1)Cl)Cl CNP0017774.0 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.101 CC(=O)OC1=CC(=CC(=C1)O)C CNP0121903.0 [0,1,0,0,0,1|1,0,0]=3 572 B12R1.101 CC1=CC(=CC(=C1)CC(=O)Cl)C CNP0064562.0 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.101 C[C@H](O)CC1=CC(=CC(=C1)O)O CNP0275743.1 [0,1,0,0,0,1|1,0,1]=4 574 B12R1.101 O=C(O)CC1=CC(=CC(=C1)O)O CNP0371328.0 [0,1,0,0,0,1|0,0,0]=2 575 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)Cl CNP0051150.0 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,1,0,0,0,1|1,0,0]=3 581 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,1,0,0,0,1|0,0,0]=2 583 B12R1.127 O=C1C=CC(=O)C(=C1)CC(=O)O CNP0040825.0 [0,1,0,0,0,1|0,0,1]=3 584 B12R1.224 CC(=O)NC1=CC=CC(=C1C)C CNP0173088.0 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Cl CNP0343401.0 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.224 CC(=O)NC1=CC=CC(=C1Cl)Cl CNP0054556.0 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.224 C[C@H](O)CC1=CC=CC(=C1O)O CNP0207246.1 [0,1,0,0,0,1|1,0,1]=4 588 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)N CNP0584804.0 [0,1,0,0,0,1|1,0,0]=3 589 B12R1.225 CC(C(=O)O)C1=CC=CC(=C1)O CNP0140626.0 [0,1,0,0,0,1|0,0,0]=2 590 B12R1.225 CC1=CC=CC(=C1)[C@@H](N)C(=O)O CNP0581273.1 [0,1,0,0,0,1|1,0,0]=3 591 B12R1.225 CC1=CC=CC(=C1)[C@H](N)C(=O)O CNP0581273.2 [0,1,0,0,0,1|1,0,0]=3 592 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.1 [0,1,0,0,0,1|1,0,0]=3 593 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)Cl CNP0491115.2 [0,1,0,0,0,1|1,0,0]=3 594 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(=C1)O CNP0183373.1 [0,1,0,0,0,1|0,0,0]=2 595 B12R1.225 O=C(O)[C@@H](O)C1=CC=CC(=C1)O CNP0133718.2 [0,1,0,0,0,1|0,0,0]=2 596 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(=C1)O CNP0133718.1 [0,1,0,0,0,1|0,0,0]=2 597 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [0,1,0,0,0,1|0,0,0]=2 599 B12R1.1021 C=C(C)C1=CC=CC(=O)C(=C1)O CNP0310811.0 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.1021 CC(=O)C1=CC(=O)C(=CC=C1)O CNP0612012.0 [0,1,0,0,0,1|1,0,1]=4 601 B12R1.1021 CC(=O)C1=CC=CC(=O)C(=C1)O CNP0339263.0 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.892 O=C1C=CC(=CC=C1O)[N+](=O)[O-] CNP0508315.0 [0,1,0,0,0,1|1,0,1]=4 603 B12R1.3092 CC1(C=CC=C(C=C1)C(=O)O)C CNP0151633.0 [0,1,0,0,0,1|1,0,1]=4 604 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)O CNP0181250.0 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.23 NC1=CC=C(C=C1N)S(=O)(=O)O CNP0444643.0 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.48 COC1=COC(=CC1=O)C(=O)O CNP0349359.0 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.56 CC1=CC=C(C=C1CO)[N+](=O)[O-] CNP0531354.0 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,2,0,0,0,0|0,0,0]=2 623 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,2,0,0,0,0|0,0,0]=2 626 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,2,0,0,0,0|0,0,1]=3 627 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,2,0,0,0,0|1,0,1]=4 628 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,2,0,0,0,0|0,0,1]=3 631 B12R1.56 O=NC1=CC(=CC=C1[O-])C(=O)[O-] CNP0591454.0 [0,2,0,0,0,0|0,0,2]=4 632 B12R1.56 O=[N+]([O-])C1=CC=C(C(=C1)CO)Cl CNP0495840.0 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])O)O CNP0541795.0 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,2,0,0,0,0|0,0,0]=2 641 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,2,0,0,0,0|0,0,0]=2 642 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O CNP0491895.0 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)Cl CNP0533621.0 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.367 COC(=O)C1=CC=C(C(=C1)N)O CNP0023118.0 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)N CNP0083419.0 [0,2,0,0,0,0|0,0,0]=2 648 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)O CNP0279680.0 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.367 COC(=O)C1=COC(=O)C(=C1)Br CNP0152101.0 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.367 NCC(=O)C1=CC=C(C(=C1)O)O CNP0133774.0 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|1,0,1]=4 654 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [0,2,0,0,0,0|0,0,0]=2 656 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O CNP0501868.0 [0,2,0,0,0,0|0,0,0]=2 657 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|0,0,1]=3 658 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|0,0,2]=4 659 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,2,0,0,0,0|0,0,0]=2 663 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|0,0,0]=2 665 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,2,0,0,0,0|0,0,0]=2 666 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,2,0,0,0,0|0,0,0]=2 668 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)C CNP0169307.0 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O CNP0139788.0 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O CNP0453501.0 [0,2,0,0,0,0|0,0,0]=2 671 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O CNP0192461.0 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.1005 NC(=O)C1=CC(=C(C(=C1)O)O)O CNP0198006.0 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)Br CNP0425607.0 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)O CNP0081695.0 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)O)Cl CNP0185897.0 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)O CNP0133244.0 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)[O-])[O-] CNP0576349.0 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.17 CCOC(=O)C1=CC=CC(=C1)Br CNP0225819.0 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C CNP0130932.0 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.17 CCOC(=O)C1=CC=CC(=C1)N CNP0289316.0 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.17 CCOC(=O)C1=CC=CC(=C1)O CNP0114890.0 [0,2,0,0,0,0|0,0,0]=2 682 B12R1.17 CNC[C@@H](O)C1=CC=CC(=C1)O CNP0319778.3 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.17 CNC[C@H](O)C1=CC=CC(=C1)O CNP0319778.1 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.354 CC(=NO)C1=CC(=CC=C1O)C CNP0288898.0 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.354 CC(=NO)C1=CC(=CC=C1O)Cl CNP0051443.0 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.354 CN(N=O)C1=CC(=CC=C1O)O CNP0074187.0 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,2,0,0,0,0|0,0,0]=2 690 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.358 CCC(=O)C1=CC(=CC(=C1)O)O CNP0081565.0 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)C CNP0134842.0 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)N CNP0330742.0 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.358 COC(=O)C1=CC(=CC(=C1)O)O CNP0192698.0 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CNP0244459.0 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.11 CCC1=CC(=O)OC(=C1)C(=O)O CNP0216144.0 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)C CNP0589100.0 [0,2,0,0,0,0|0,0,0]=2 702 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)O CNP0247560.0 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.11 COC1=CC(=O)OC(=C1)C(=O)C CNP0295805.0 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.511 NC(=O)C1=CC(=CC(=C1O)Br)Br CNP0224168.0 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.511 NC1=C(C=C(C=C1C(=O)O)O)O CNP0023505.0 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.511 O=C(O)C1=CC(=CC(=C1O)Br)Br CNP0017991.0 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.511 O=C(O)C1=CC(=CC(=C1O)I)I CNP0359648.0 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.511 O=C(O)C1=CC(=CC(=C1O)O)O CNP0538663.0 [0,2,0,0,0,0|0,0,0]=2 709 B12R1.128 O=P(O)(O)C1=CC(=CC=C1O)Br CNP0473049.0 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.128 O=S(=O)(O)C1=CC(=CC=C1O)O CNP0449853.0 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.87 COC1=C(C=CC=C1C(=O)O)O CNP0226066.0 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.87 N#[N+]C1C(=O)C=CC=C1C(=O)O CNP0511155.0 [0,2,0,0,0,0|0,0,2]=4 713 B12R1.440 C=C(C)C1=CC=CC(=C1C)OC CNP0162218.0 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.440 CC1=C(C=CC=C1[N+](=O)[O-])CO CNP0610340.0 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.440 COC1=CC=CC(=C1C)[N+](=O)[O-] CNP0575943.0 [0,2,0,0,0,0|1,0,1]=4 716 B12R1.440 COC1=CC=CC(=C1N)C(=O)O CNP0141530.0 [0,2,0,0,0,0|0,0,0]=2 717 B12R1.440 COC1=CC=CC(=C1O)C(=O)O CNP0153479.0 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.894 C=C(C)C1=C(C=CC(=C1C)O)O CNP0482771.0 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.894 CC1=C(C=CC(=C1C(=O)O)O)O CNP0439844.0 [0,2,0,0,0,0|0,0,0]=2 720 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.894 CC1=CC=C(C(=C1C(=O)O)O)Br CNP0437652.0 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.894 CC1=CC=C(C(=C1C)C(=O)O)C CNP0199373.0 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.894 NC1=CC=C(C(=C1N)C(=O)O)O CNP0308763.0 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.46 CNC1=CC=C(C=C1C(=O)O)O CNP0196868.0 [0,2,0,0,0,0|0,0,0]=2 726 B12R1.46 COC1=CC=C(C=C1C(=O)O)O CNP0241896.0 [0,2,0,0,0,0|0,0,0]=2 727 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [0,2,0,0,0,0|0,0,0]=2 729 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [0,2,0,0,0,0|0,0,0]=2 730 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,2,0,0,0,0|0,0,1]=3 731 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1O)CO CNP0520804.0 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C CNP0304319.0 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)N CNP0209482.0 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)O CNP0441014.0 [0,2,0,0,0,0|0,0,1]=3 735 B12R1.258 O=C(Cl)C1=CC=CC(=C1)C(=O)Cl CNP0043234.0 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O CNP0265672.0 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O CNP0266365.0 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.258 O=C(S)C1=CC=CC(=N1)C(=S)O CNP0555335.0 [0,2,0,0,0,0|1,1,0]=4 739 B12R1.258 O=[N+]([O-])C1=CC=CC(=C1)B(O)O CNP0573828.0 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.279 CC(=O)C1=CC=CC(=C1)N=C=S CNP0391445.0 [0,2,0,0,0,0|1,1,0]=4 741 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.279 O=C(O)C1=CN(CC=C1)CCO CNP0610893.0 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.279 O=C(O)C1=CN([CH]C=C1)CCO CNP0549619.0 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.279 O=C([O-])C1=CC=C[N+](=C1)CCO CNP0600719.0 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.279 O=[N+]([O-])C1=CC=CC(=C1)C=NO CNP0519818.0 [0,2,0,0,0,0|1,0,1]=4 746 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,0,1,1,0,0|2,0,0]=4 747 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,0,1,1,0,0|2,0,0]=4 748 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,1,1,0,0|1,0,0]=3 749 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,1,1,0,0|1,0,0]=3 750 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,1,1,0,0|0,0,0]=2 751 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [0,0,1,1,0,0|2,0,0]=4 752 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,0,1,1,0,0|2,0,0]=4 753 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [0,0,1,1,0,0|2,0,0]=4 754 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,1,1,0,0|1,0,1]=4 755 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,0,1,1,0,0|1,0,0]=3 756 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,1]=4 757 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,1]=4 758 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 759 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,1]=4 760 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,1]=4 761 B12R2.202 CC1=C2OC(=O)C=C2C=CO1 CNP0534449.0 [0,0,0,1,0,1|2,0,0]=4 762 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,0,0,1,0,1|1,0,0]=3 763 B12R2.202 O=C1NC2=C(C=CC=C2O1)O CNP0492903.0 [0,0,0,1,0,1|1,0,0]=3 764 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,0,0,1,0,1|2,0,0]=4 765 B12R2.606 N=C1NC2=CC(=CC=C2O1)Cl CNP0335896.0 [0,0,0,1,0,1|2,0,0]=4 766 B12R2.606 N=C1NC2=CC=C(C=C2N1)O CNP0547413.0 [0,0,0,1,0,1|2,0,0]=4 767 B12R2.606 NC1=NC2=CC(=CC=C2O1)Cl CNP0499273.0 [0,0,0,1,0,1|2,0,0]=4 768 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,0,0,1,0,1|2,0,0]=4 769 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,0,0,1,0,1|2,0,0]=4 770 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,0,0,1,0,1|1,0,0]=3 771 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,0,0,1,0,1|0,0,0]=2 772 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,0,0,1,0,1|2,0,0]=4 773 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,0,0,1,0,1|1,0,0]=3 774 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,0,0,1,0,1|1,0,0]=3 775 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,0,0,1,0,1|1,0,0]=3 776 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,0,0,1,0,1|1,0,0]=3 777 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,0,0,1,0,1|1,0,0]=3 778 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,0,0,1,0,1|0,1,0]=3 779 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,0,0,1,0,1|1,0,0]=3 780 B12R2.606 OC1=NC2=CC(=CC=C2O1)Cl CNP0199487.0 [0,0,0,1,0,1|1,0,1]=4 781 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|0,0,0]=2 784 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|0,0,0]=2 786 B12R2.1094 CC1=CC=CC2=C1C(=O)C2=O CNP0039191.0 [0,1,0,1,0,0|1,0,1]=4 787 B12R2.1225 O=C1OC2=C(C=CC(=C12)O)O CNP0076738.0 [0,1,0,1,0,0|0,0,0]=2 788 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,1,0,1,0,0|1,0,0]=3 789 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [0,0,1,0,1,0|2,0,0]=4 790 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,0,1,0,1,0|1,0,1]=4 791 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [1,0,0,0,1,0|2,0,0]=4 792 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,0,0,0,1,0|2,0,0]=4 793 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [1,0,0,0,1,0|2,0,0]=4 794 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,0,0,0,1,0|1,0,0]=3 795 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [1,0,0,0,1,0|2,0,0]=4 796 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,0,0,0,1,0|2,0,0]=4 797 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,0,0,0,1,0|2,0,0]=4 798 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|2,0,0]=4 799 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|2,0,0]=4 800 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|2,0,0]=4 801 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|2,0,0]=4 802 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|2,0,0]=4 803 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|2,0,0]=4 804 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|2,0,0]=4 805 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 806 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 807 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|1,0,0]=3 808 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|1,0,0]=3 809 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,0,0,0,1,0|2,0,0]=4 810 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|1,0,0]=3 811 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,0,0,0,1,0|2,0,0]=4 812 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|1,0,0]=3 813 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|2,0,0]=4 814 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|1,0,0]=3 815 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,0,0,0,1,0|2,0,0]=4 816 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,0,0,0,1,0|2,0,0]=4 817 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,0,1|2,0,0]=4 818 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,1|2,0,0]=4 819 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,1|2,0,0]=4 820 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,1|2,0,0]=4 821 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,1|1,0,0]=3 822 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,1|1,0,0]=3 823 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,1|1,0,0]=3 824 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,0,1|2,0,0]=4 825 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,1|1,1,0]=4 826 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,0,1|2,0,0]=4 827 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,0,0,0,0,1|1,1,0]=4 828 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,0,1|1,0,0]=3 829 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,0,1|2,0,0]=4 830 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,0,1|1,0,0]=3 831 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,0,0,0,0,1|1,1,0]=4 832 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,0,1|1,0,0]=3 833 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,0,1|1,0,0]=3 834 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,0,1|0,0,0]=2 835 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,0,1|1,0,0]=3 836 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,0,1|1,0,0]=3 837 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,0,0,0,0,2|2,0,0]=4 838 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,0,0,0,0,2|1,0,0]=3 839 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,0,0,0,0,2|1,0,0]=3 840 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,0,0,0,0,2|0,0,0]=2 841 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,0,0,0,0,2|0,0,0]=2 842 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,0,0,0,0,2|0,0,0]=2 843 B12R1.226 O=C(O)CSC1=CC=CC(=N1)Cl CNP0286786.0 [0,0,0,0,0,2|2,0,0]=4