0 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,0,0,0,0,0|2,0,0]=2 12 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,0,0,0,0,0|1,0,0]=1 13 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,0,0,0|0,1,1]=2 17 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,0,0,0|1,1,0]=2 18 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,0,0,0|1,1,0]=2 19 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,0,0,0|1,1,2]=4 20 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,0,0,0|0,1,3]=4 21 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,0,0,0|1,1,2]=4 22 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,0,0,0|1,1,2]=4 23 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,0,0,0|2,1,1]=4 24 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,0,0,0|2,1,1]=4 25 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,0,0,0|2,1,0]=3 26 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,0,0,0|0,1,0]=1 27 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,0,0,0|1,1,0]=2 28 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,0,0,0,0,0|1,1,1]=3 29 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,0,0,0|1,1,0]=2 30 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,0,0,0,0,0|2,1,0]=3 31 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,0,0,0,0,0|0,0,0]=0 32 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,0,0,0|1,0,0]=1 33 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,0,0,0|0,0,2]=3 34 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,0,0,0|1,0,1]=3 35 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,0,0,0|1,0,1]=3 36 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [1,0,0,0,0,0|0,0,0]=1 37 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [1,0,0,0,0,0|1,0,0]=2 38 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [1,0,0,0,0,0|1,0,0]=2 39 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [1,0,0,0,0,0|2,0,0]=3 41 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [1,0,0,0,0,0|2,0,0]=3 42 B11R2.20 C1=CN=C2N=CN=CC2=C1 CNP0489706.0 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [0,1,0,0,0,0|1,0,0]=2 44 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [0,1,0,0,0,0|1,0,0]=2 45 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.32 CC1=NN=C2C=CC=CC2=C1C CNP0075368.0 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,1,0,0,0,0|1,1,0]=3 50 B13R2.32 NC1=CN=C2C=CC=CC2=C1N CNP0531898.0 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.32 NC1=C[NH+]=C2C=CC=CC2=C1N CNP0505604.0 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.32 O=C1C(=COC2=CC=CC=C12)Br CNP0278171.0 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,1,0,0,0,0|0,1,0]=2 54 B13R2.32 OC1=C(C=CC2=CC=CN=C12)Br CNP0349964.0 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [0,1,0,0,0,0|0,1,0]=2 56 B13R2.32 OC1=CN=C2C=CC=CC2=C1O CNP0037450.0 [0,1,0,0,0,0|1,1,0]=3 57 B13R2.32 O[C@@H]1C2=CC=CC=C2C=C[C@@H]1O CNP0225338.2 [0,1,0,0,0,0|0,1,2]=4 58 B13R2.32 O[C@H]1C=CC2=CC=CC=C2[C@@H]1O CNP0225338.1 [0,1,0,0,0,0|0,1,2]=4 59 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,1,0,0,0,0|1,0,0]=2 60 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,1,0,0,0,0|1,0,0]=2 61 B13R2.57 CCC1=CN=C2C=CC=CC2=N1 CNP0522044.0 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,1,0,0,0,0|0,1,0]=2 63 B13R2.57 COC1=CC=C2C=CCOC2=C1 CNP0590753.0 [0,1,0,0,0,0|1,1,1]=4 64 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [0,1,0,0,0,0|0,1,2]=4 65 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [0,1,0,0,0,0|1,1,1]=4 66 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 CNP0294953.0 [0,1,0,0,0,0|1,0,0]=2 67 B13R2.57 N#CC1=CN=C2C=CC=CC2=C1 CNP0236313.0 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 CNP0200433.0 [0,1,0,0,0,0|1,0,0]=2 69 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 CNP0376757.0 [0,1,0,0,0,0|1,1,1]=4 70 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,1,0,0,0,0|0,1,0]=2 71 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CNP0375851.0 [0,1,0,0,0,0|1,1,0]=3 72 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 CNP0129350.0 [0,1,0,0,0,0|0,1,0]=2 73 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CNP0090515.0 [0,1,0,0,0,0|1,1,0]=3 74 B13R2.155 CC1=CC=C2C=CC(=CC2=C1)O CNP0109582.0 [0,1,0,0,0,0|0,1,0]=2 75 B13R2.155 CC1=CC=C2C=CC(=NC2=C1)C CNP0224653.0 [0,1,0,0,0,0|2,0,0]=3 76 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,1,0,0,0,0|1,1,0]=3 77 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 CNP0167186.0 [0,1,0,0,0,0|1,1,0]=3 78 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [0,1,0,0,0,0|1,1,0]=3 79 B13R2.155 OC1=CC=C2C=CC(=CC2=C1)O CNP0611657.0 [0,1,0,0,0,0|0,1,0]=2 80 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)C CNP0207344.0 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)O CNP0029119.0 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)C CNP0309408.0 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)N CNP0596449.0 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CNP0192947.0 [0,1,0,0,0,0|2,0,0]=3 86 B13R2.162 CC1=CC=C2[NH+]=CC=C(C2=C1)N CNP0593426.0 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.162 CN1C=CC=C2C1=CC(=O)C=C2 CNP0582015.0 [0,1,0,0,0,0|1,1,0]=3 88 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 CNP0056600.0 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.162 NC1=CC=CC2=CC=C(C=C12)O CNP0058557.0 [0,1,0,0,0,0|0,1,0]=2 90 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O CNP0290938.0 [0,1,0,0,0,0|1,1,0]=3 91 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [0,1,0,0,0,0|1,1,0]=3 92 B13R2.162 O=C1C=CNC2=CC=C(C=C12)O CNP0568965.0 [0,1,0,0,0,0|1,1,0]=3 93 B13R2.162 O=C1C=COC2=CC=C(C=C12)Br CNP0067975.0 [0,1,0,0,0,0|2,0,0]=3 94 B13R2.162 O=C1C=COC2=CC=C(C=C12)Cl CNP0240355.0 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.162 OC1=CC=C2C=CC=C(C2=C1)O CNP0611675.0 [0,1,0,0,0,0|0,1,0]=2 96 B13R2.162 OC1=CC=C2N=CC=C(C2=C1)O CNP0154722.0 [0,1,0,0,0,0|1,1,0]=3 97 B13R2.222 CC1(C=CC2=CC=CC=C2O1)C CNP0201807.0 [0,1,0,0,0,0|2,0,1]=4 98 B13R2.328 CC1=CC(=C2C=CC=CC2=C1)C CNP0318754.0 [0,1,0,0,0,0|1,0,0]=2 99 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)C CNP0211039.0 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)N CNP0568512.0 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)O CNP0344629.0 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.328 CC1=CC(=C2C=CC=CC2=[NH+]1)N CNP0537497.0 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.328 CC1=CC(=C2N=CC=CC2=C1)C CNP0159578.0 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.328 CC1=CC(=NC2=CC=CC=C12)O CNP0373109.0 [0,1,0,0,0,0|1,1,0]=3 105 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,1,0,0,0,0|1,1,0]=3 106 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,0,0,0|1,1,0]=3 107 B13R2.328 CC1=CC(=S)C2=CC=CC=C2N1 CNP0143259.0 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.328 CC1=CC(=[N+]2C=CC=CC2=N1)C CNP0596811.0 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.328 CC1=CC2=CC=CC=C2C(=N1)C CNP0233687.0 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.328 CC1=CC2=CN=CC=C2C(=N1)Cl CNP0001232.0 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)C CNP0346769.0 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)O CNP0593568.0 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.328 CC1=NC(=NC2=CC=CC=C12)N CNP0343177.0 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.328 CC1=NC(=O)C2=CC=CC=C2N1 CNP0502720.0 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 CNP0141617.0 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [0,1,0,0,0,0|1,1,0]=3 119 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CNP0526004.0 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CNP0229016.0 [0,1,0,0,0,0|1,1,0]=3 121 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [0,1,0,0,0,0|1,1,0]=3 122 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [0,1,0,0,0,0|1,1,0]=3 123 B13R2.328 O=C1C=C(OC2=CC=CC=C12)O CNP0038758.0 [0,1,0,0,0,0|1,1,0]=3 124 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,0,0,0|1,1,1]=4 125 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,0,0,0|1,1,1]=4 126 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,0,0,0|1,1,1]=4 127 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [0,1,0,0,0,0|2,1,0]=4 128 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,1,0,0,0,0|2,1,0]=4 129 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,0,0,0|2,1,0]=4 130 B13R2.328 OC1=CC(=C2C=CC=CC2=C1)O CNP0419188.0 [0,1,0,0,0,0|0,1,0]=2 131 B13R2.328 OC1=CC(=C2C=CC=CC2=N1)O CNP0532958.0 [0,1,0,0,0,0|1,1,0]=3 132 B13R2.328 OC1=NC(=C2C=CC=CC2=N1)O CNP0575131.0 [0,1,0,0,0,0|2,1,0]=4 133 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CNP0221248.0 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.369 CC1=CC2=CC=CC=C2N=C1C CNP0267853.0 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.369 CC1=CC2=CC=CC=C2N=C1O CNP0132288.0 [0,1,0,0,0,0|1,1,0]=3 136 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,0,0,0|1,1,0]=3 137 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,1,0,0,0,0|1,1,0]=3 138 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [0,1,0,0,0,0|2,1,0]=4 139 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [0,1,0,0,0,0|2,1,0]=4 140 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,1,0,0,0,0|2,1,0]=4 141 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,1,0,0,0,0|1,1,0]=3 142 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,1,0,0,0,0|1,1,0]=3 143 B13R2.369 OC1=CC2=CC=CC=C2C=C1O CNP0610143.0 [0,1,0,0,0,0|0,1,0]=2 144 B13R2.369 OC1=CC2=CC=NC=C2C=C1O CNP0329716.0 [0,1,0,0,0,0|1,1,0]=3 145 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,1,0,0,0,0|1,1,0]=3 148 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)N CNP0177097.0 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)O CNP0030837.0 [0,1,0,0,0,0|0,1,0]=2 150 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CNP0010263.0 [0,1,0,0,0,0|1,1,0]=3 151 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,1,0,0,0,0|1,1,0]=3 152 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 CNP0467271.0 [0,1,0,0,0,0|0,1,0]=2 153 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Br CNP0032263.0 [0,1,0,0,0,0|0,1,0]=2 154 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Cl CNP0130218.0 [0,1,0,0,0,0|0,1,0]=2 155 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)O CNP0421775.0 [0,1,0,0,0,0|0,1,0]=2 156 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,0,0,0|1,0,0]=2 157 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [0,1,0,0,0,0|2,0,0]=3 158 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)N CNP0564606.0 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.5179 CC1=CC=C2C(=CC=[NH+]C2=C1)N CNP0510949.0 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,1,0,0,0,0|1,1,0]=3 162 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [0,1,0,0,0,0|2,0,1]=4 163 B13R2.5179 ClC1=CC=C2C(=CC=NC2=C1)Cl CNP0346227.0 [0,1,0,0,0,0|2,0,0]=3 164 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,1,0,0,0,0|1,1,0]=3 165 B13R2.5179 O=C1C=CNC2=CC(=CC=C12)Br CNP0429079.0 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.5179 O=C1C=CNC2=CC(=CC=C12)Cl CNP0587685.0 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.5179 O=C1C=COC2=CC(=CC=C12)O CNP0338956.0 [0,1,0,0,0,0|1,1,0]=3 168 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,1,0,0,0,0|0,1,0]=2 169 B13R2.5179 OC1=CN=C2C(=CC=CC2=C1)O CNP0265313.0 [0,1,0,0,0,0|1,1,0]=3 170 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,0,1,0,0,0|0,1,2]=4 171 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,0,1,0,0,0|2,0,0]=3 172 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,0,1,0,0,0|0,1,2]=4 173 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,0,1,0,0,0|1,1,0]=3 174 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,0,1,0,0,0|1,1,1]=4 175 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,0,1,0,0,0|1,1,0]=3 176 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,0,1,0,0,0|1,1,1]=4 177 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,0,1,0,0,0|2,0,0]=3 178 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,0,1,0,0,0|2,0,0]=3 179 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,0,1,0,0,0|2,0,1]=4 180 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,0,1,0,0,0|1,1,1]=4 181 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,0,1,0,0,0|1,1,1]=4 182 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,1,0,0,0|1,0,2]=4 183 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,1,0,0,0|0,1,1]=3 184 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,1,0,0,0|0,1,2]=4 185 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,1,0,0,0|1,1,0]=3 186 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,1,0,0,0|1,1,0]=3 187 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,1,0,0,0|1,1,0]=3 188 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,1,0,0,0|2,1,0]=4 189 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,0,1,0,0,0|2,0,1]=4 190 B13R3.28 C1=CC=C2C3=C(C3)C=CC2=C1 CNP0606380.0 [0,0,0,1,0,0|1,0,0]=2 191 B13R3.28 C1=CC=C2C3=C(O3)C=CC2=C1 CNP0085849.0 [0,0,0,1,0,0|0,1,0]=2 192 B13R3.28 C1=C[C@@H]2O[C@@H]2C3=CC=CC=C31 CNP0083780.1 [0,0,0,1,0,0|0,1,2]=4 193 B13R3.28 C1=C[C@H]2O[C@H]2C3=CC=CC=C31 CNP0083780.2 [0,0,0,1,0,0|0,1,2]=4 194 B11R2.1 BrC1=C2C=CC=CN2N=C1 CNP0121314.0 [0,0,0,0,1,0|3,0,0]=4 195 B11R2.1 BrC1=CN=C2N1C=CC=C2 CNP0437961.0 [0,0,0,0,1,0|3,0,0]=4 196 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,0,1,0|2,0,0]=3 197 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,0,1,0|2,0,0]=3 198 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,0,1,0|1,0,0]=2 199 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,0,1,0|2,0,0]=3 200 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,0,1,0|1,0,1]=3 201 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,0,1,0|2,0,0]=3 202 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,0,0,0,1,0|3,0,0]=4 203 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,0,1,0|2,0,0]=3 204 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,0,1,0|1,0,1]=3 205 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,0,1,0|1,0,1]=3 206 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,0,1,0|2,0,0]=3 207 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,0,1,0|2,0,0]=3 208 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,0,1,0|2,0,1]=4 209 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,0,1,0|3,0,0]=4 210 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,0,1,0|2,0,1]=4 211 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,0,1,0|1,1,0]=3 212 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,0,1,0|0,1,2]=4 213 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,0,1,0|1,1,1]=4 214 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,0,1,0|1,1,1]=4 215 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,0,1,0|1,1,0]=3 216 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,0,1,0|1,1,1]=4 217 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,0,1,0|2,1,0]=4 218 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,0,1,0|1,1,1]=4 219 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,0,1,0|1,1,0]=3 220 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,0,1,0|1,1,1]=4 221 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,0,1,0|2,1,0]=4 222 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,0,1,0|2,0,0]=3 223 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,0,1,0|2,0,0]=3 224 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,0,1,0|2,0,0]=3 225 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,0,1,0|3,0,0]=4 226 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,0,1,0|3,0,0]=4 227 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [0,0,0,0,1,0|2,0,0]=3 228 B11R2.10 N=C1NC2=CC=CC=C2N1 CNP0097810.0 [0,0,0,0,1,0|3,0,0]=4 229 B11R2.10 NC1=NC2=CC=CC=C2N1 CNP0568172.0 [0,0,0,0,1,0|3,0,0]=4 230 B11R2.10 NC1=NC2=CC=CC=C2S1 CNP0256238.0 [0,0,0,0,1,0|3,0,0]=4 231 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,0,1,0|1,1,0]=3 232 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,0,1,0|2,1,0]=4 233 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,0,1,0|1,1,1]=4 234 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,0,1,0|1,1,1]=4 235 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,0,1,0|1,1,1]=4 236 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,0,1,0|2,1,0]=4 237 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,0,1,0|2,1,0]=4 238 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,0,1,0|1,1,1]=4 239 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,0,1,0|2,1,0]=4 240 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,0,1,0|2,1,0]=4 241 B11R2.10 S=C1N=C2C=CC=CC2=N1 CNP0444461.0 [0,0,0,0,1,0|2,0,1]=4 242 B11R2.10 S=C1NC2=CC=CC=C2S1 CNP0144165.0 [0,0,0,0,1,0|2,0,1]=4 243 B11R2.10 SC1=NC2=CC=CC=C2N1 CNP0475824.0 [0,0,0,0,1,0|2,0,0]=3 244 B11R2.10 SC1=NC2=CC=CC=C2S1 CNP0527049.0 [0,0,0,0,1,0|2,0,0]=3 245 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,0,0,0,1,0|1,0,1]=3 246 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [0,0,0,0,1,0|2,0,0]=3 247 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,0,1,0|2,0,0]=3 248 B11R2.36 CC1=CC=C2C=CSC2=N1 CNP0293549.0 [0,0,0,0,1,0|3,0,0]=4 249 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,0,0,0,1,0|3,0,0]=4 250 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,0,0,0,1,0|2,0,0]=3 251 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [0,0,0,0,1,0|3,0,0]=4 252 B11R2.36 CC1=CN2C=CC=C2C=N1 CNP0317798.0 [0,0,0,0,1,0|3,0,0]=4 253 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,0,0,0,1,0|1,1,0]=3 254 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,0,0,0,1,0|0,1,1]=3 255 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,0,0,0,1,0|1,1,0]=3 256 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,0,0,0,1,0|2,1,0]=4 257 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,0,0,0,1,0|1,1,0]=3 258 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,0,0,0,0,1|0,1,0]=2 259 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,0,0,0,0,1|1,1,1]=4 260 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,0,1,0,0,0|1,0,1]=4 261 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,0,1,0,0,0|0,1,1]=4 262 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,0,1,0,0,0|1,0,1]=4 263 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,0,1,0,0,0|0,1,1]=4 264 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,0,1,0,0,0|1,1,0]=4 265 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,0,1,0,0,0|1,1,0]=4 266 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,1,0,0,0|0,0,2]=4 267 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,1,0,0,0|1,0,1]=4 268 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,1,0,0,0|1,0,1]=4 269 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,1,0,0,0|0,0,2]=4 270 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,1,0,0,0|0,0,2]=4 271 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,0,1,0,0,0|1,0,1]=4 272 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,1,0,0,0|1,0,1]=4 273 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,1,0,0,0|0,1,0]=3 274 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,1,0,0,0|0,1,1]=4 275 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,1,0,0,0|1,0,1]=4 276 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,0,1,0,0,0|0,0,2]=4 277 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,0,1,0,0,0|1,0,1]=4 278 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,0,1,0,0,0|1,0,1]=4 279 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [1,0,1,0,0,0|1,0,1]=4 280 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [1,0,1,0,0,0|1,1,0]=4 281 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,0,1,0,0,0|1,0,1]=4 282 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,0,1,0,0,0|1,1,0]=4 283 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,1,0,0,0|2,0,0]=4 285 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,1,0,0,0|1,0,1]=4 286 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,1,0,0,0|1,0,1]=4 287 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,0,1,0,0,0|2,0,0]=4 288 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,1,1,0,0,0|1,1,0]=4 289 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,1,0,0,0|0,1,1]=4 290 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,1,1,0,0,0|2,0,0]=4 292 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,1,1,0,0,0|1,1,0]=4 293 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,1,1,0,0,0|1,1,0]=4 296 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,1,1,0,0,0|1,1,0]=4 297 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,1,1,0,0,0|1,1,0]=4 298 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [0,1,1,0,0,0|0,1,1]=4 299 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,1,0,0,0|1,1,0]=4 300 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,1,0,0,0|0,1,1]=4 301 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,1,0,0,0|0,1,1]=4 302 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,1,0,0,0|1,1,0]=4 303 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,1,0,0,0|1,1,0]=4 304 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,1,0,0,0|1,1,0]=4 305 B12R1.28 CC=CC=CC1=CC=CC(=O)O1 CNP0526558.0 [0,1,1,0,0,0|1,1,0]=4 306 B12R1.28 O=CC=COC1=CC=CC(=C1)O CNP0162512.0 [0,1,1,0,0,0|1,1,0]=4 307 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,1,0,0,0|2,0,0]=4 308 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,1,0,0,0|1,1,0]=4 310 B12R1.32 C=CCC(=O)NC1=CC=CC=C1 CNP0211229.0 [0,1,1,0,0,0|1,1,0]=4 311 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,1,1,0,0,0|1,1,0]=4 313 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,1,0,0,0|2,0,0]=4 314 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,1,0,0,0|1,0,1]=4 315 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,1,0,0,0|2,0,0]=4 316 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,1,0,0,0|1,1,0]=4 317 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,1,0,0,0|1,0,0]=3 318 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,1,1,0,0,0|1,1,0]=4 319 B12R1.283 CC=CC1=CC=CC=C1C(=O)O CNP0476960.0 [0,1,1,0,0,0|2,0,0]=4 320 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,1,0,0,0|0,1,1]=4 321 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,1,0,0,0|0,1,1]=4 322 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,1,0,0,0|0,1,1]=4 323 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,1,0,0,0|1,1,0]=4 324 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,1,0,0,0|1,0,1]=4 325 B12R2.1081 C=C1C=C[CH]C2=CC=CC=C12 CNP0546671.0 [1,1,0,0,0,0|0,0,1]=3 326 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [1,1,0,0,0,0|0,0,0]=2 327 B12R2.1081 CC1=CC=CC2=CC=CCN12 CNP0344849.0 [1,1,0,0,0,0|1,0,1]=4 328 B12R2.1081 CC1=CC=CC2=CC=CN=C12 CNP0256900.0 [1,1,0,0,0,0|1,0,0]=3 329 B12R2.1081 CC1=CC=CC2=CN=CC=C12 CNP0132588.0 [1,1,0,0,0,0|1,0,0]=3 330 B12R2.1081 CC1=CC=CC2=NC=CC=C12 CNP0205038.0 [1,1,0,0,0,0|1,0,0]=3 331 B12R2.1081 CC1=CC=CC2=NC=CN=C12 CNP0283701.0 [1,1,0,0,0,0|2,0,0]=4 332 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CNP0138798.0 [1,1,0,0,0,0|1,0,0]=3 333 B12R2.1081 CC1=CN=CC2=CC=NC=C12 CNP0255709.0 [1,1,0,0,0,0|2,0,0]=4 334 B12R2.1081 CC1=CN=CC2=CN=CC=C12 CNP0238746.0 [1,1,0,0,0,0|2,0,0]=4 335 B12R2.1081 CC1=CN=NC2=CC=CC=C12 CNP0290464.0 [1,1,0,0,0,0|2,0,0]=4 336 B12R2.1081 CC1=NC=CC2=CC=CC=C12 CNP0255450.0 [1,1,0,0,0,0|1,0,0]=3 337 B12R2.1081 CC1=NC=NC2=CC=CC=C12 CNP0159497.0 [1,1,0,0,0,0|2,0,0]=4 338 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [1,1,0,0,0,0|1,0,1]=4 339 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [1,1,0,0,0,0|0,0,0]=2 340 B12R2.1081 NC1=CC=CC2=CN=CC=C12 CNP0491811.0 [1,1,0,0,0,0|1,0,0]=3 341 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CNP0117074.0 [1,1,0,0,0,0|1,0,0]=3 342 B12R2.1081 NC1=CC=NC2=CC=NC=C12 CNP0500992.0 [1,1,0,0,0,0|2,0,0]=4 343 B12R2.1081 NC1=NC=NC2=CC=CC=C12 CNP0045001.0 [1,1,0,0,0,0|2,0,0]=4 344 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [1,1,0,0,0,0|1,0,0]=3 345 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [1,1,0,0,0,0|1,0,0]=3 346 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [1,1,0,0,0,0|2,0,0]=4 347 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [1,1,0,0,0,0|1,0,0]=3 348 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [1,1,0,0,0,0|2,0,0]=4 349 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [1,1,0,0,0,0|1,0,0]=3 350 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [1,1,0,0,0,0|0,0,0]=2 351 B12R2.1081 OC1=CC=CC2=CC=CN=C12 CNP0302552.0 [1,1,0,0,0,0|1,0,0]=3 352 B12R2.1081 OC1=CC=CC2=CN=CC=C12 CNP0482477.0 [1,1,0,0,0,0|1,0,0]=3 353 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [1,1,0,0,0,0|1,0,0]=3 354 B12R2.1081 OC1=NC=NC2=CC=CC=C12 CNP0201692.0 [1,1,0,0,0,0|2,0,0]=4 355 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [1,1,0,0,0,0|0,0,0]=2 356 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 CNP0590286.0 [1,1,0,0,0,0|1,0,0]=3 357 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,1,0,0,1,0|1,0,0]=3 358 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,0,1,0|2,0,0]=4 359 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,0,1,0|0,1,1]=4 360 B12R2.1 N#CC1=CNC2=CC=CC=C12 CNP0266284.0 [0,1,0,0,1,0|2,0,0]=4 361 B12R2.1 NCC1=CNC2=CC=CC=C12 CNP0174270.0 [0,1,0,0,1,0|2,0,0]=4 362 B12R2.1 O=CC1=CC=C2C1=COC=C2 CNP0236522.0 [0,1,0,0,1,0|1,1,0]=4 363 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,0,1,0|1,1,0]=4 364 B12R2.1 OCC1=CC=C2C1=COC=C2 CNP0300361.0 [0,1,0,0,1,0|1,1,0]=4 365 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,0,1,0|1,1,0]=4 366 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,0,1,0|2,0,0]=4 367 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,0,1,0|1,0,1]=4 368 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,0,1,0|2,0,0]=4 369 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,0,1,0|0,1,1]=4 370 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,0,1,0|0,1,1]=4 371 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,0,1,0|1,1,0]=4 372 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,0,1,0|1,1,0]=4 373 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,0,1,0|1,1,0]=4 374 B12R2.203 CC1=CC=CC2=CC=C(N12)C CNP0494193.0 [0,1,0,0,1,0|2,0,0]=4 375 B12R2.203 CC1=CNC2=CC=CC(=C12)O CNP0370615.0 [0,1,0,0,1,0|2,0,0]=4 376 B12R2.612 BrC1=CC=C2C(=CNC2=C1)Br CNP0136142.0 [0,1,0,0,1,0|2,0,0]=4 377 B12R2.612 ClC1=CNC2=CC(=CC=C12)Br CNP0400940.0 [0,1,0,0,1,0|2,0,0]=4 378 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,0,1,0|0,1,1]=4 379 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,0,1,0|0,1,1]=4 380 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,0,1,0|1,0,1]=4 381 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,0,1,0|1,0,1]=4 382 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,0,1,0|1,1,0]=4 383 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,0,1,0|1,1,0]=4 384 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,0,1,0|1,1,0]=4 385 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,1,0,0,1,0|1,0,1]=4 386 B12R2.32 CSC1=NC2=CC=CC=C2S1 CNP0071009.0 [0,1,0,0,1,0|2,0,0]=4 387 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,1,0,0,1,0|1,0,1]=4 388 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,1,0,0,1,0|1,1,0]=4 389 B12R2.202 CC1=CC2=C(C=CC=C2N1)C CNP0325011.0 [0,1,0,0,1,0|2,0,0]=4 390 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,1,0,0,1,0|1,1,0]=4 391 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,1,0,0,1,0|1,1,0]=4 392 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,1,0,0,1,0|0,1,1]=4 393 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,1,0,0,1,0|1,1,0]=4 394 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,1,0,0,1,0|1,1,0]=4 395 B12R2.44 O=CC1=CC=C2C=COC2=C1 CNP0203335.0 [0,1,0,0,1,0|1,1,0]=4 396 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CNP0257577.0 [0,1,0,0,1,0|1,1,0]=4 397 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [0,1,0,0,1,0|1,1,0]=4 398 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,1,0,0,1,0|1,1,0]=4 399 B12R2.82 CC1=CC=C2OC=CC2=C1C CNP0353341.0 [0,1,0,0,1,0|2,0,0]=4 400 B12R2.100 CC1=CC2=C(C=C1C)OC=C2 CNP0161352.0 [0,1,0,0,1,0|2,0,0]=4 401 B12R2.100 O=C1C=C2C=CNC2=CC1=O CNP0225091.0 [0,1,0,0,1,0|1,1,0]=4 402 B12R2.100 OC1=CC2=C(C=C1Br)NC=C2 CNP0261567.0 [0,1,0,0,1,0|1,1,0]=4 403 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CNP0083566.0 [0,1,0,0,1,0|1,1,0]=4 404 B12R2.246 BrC1=CC(=C2C=CNC2=C1)Br CNP0292890.0 [0,1,0,0,1,0|2,0,0]=4 405 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,0,1,0|2,0,0]=4 406 B12R2.246 OC1=CC(=C2C=CNC2=C1)O CNP0341994.0 [0,1,0,0,1,0|1,1,0]=4 407 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O CNP0042113.0 [0,1,0,0,0,1|0,1,0]=3 408 B14R2.741 CC1=CC2=CC=CC=C2C=C[C@@H]1O CNP0070696.1 [0,1,0,0,0,1|0,1,1]=4 409 B14R2.741 CC1=CC2=CC=CC=C2C=C[C@H]1O CNP0070696.2 [0,1,0,0,0,1|0,1,1]=4 410 B14R2.741 O=C1N=NC2=CC=CC=C2C=C1O CNP0545745.0 [0,1,0,0,0,1|1,1,0]=4 411 B14R2.5632 O=C1C=CC2=CC=CC(=C2CO1)O CNP0282456.0 [0,1,0,0,0,1|0,1,1]=4 412 B14R2.287 O=C1NCC(=CC2=CC=CC=C12)O CNP0520576.0 [0,1,0,0,0,1|0,1,1]=4 413 B14R2.8253 O=C1C=CC2=CC(=O)C=CC(=C1)C2 CNP0022319.0 [0,1,0,0,0,1|0,1,0]=3 414 B14R2.92 COC1=CC=C2C=CC=CC2=C1C CNP0031037.0 [0,2,0,0,0,0|0,1,0]=3 415 B14R2.92 N#CC1=COC2=CC=CC=C2C1=O CNP0148891.0 [0,2,0,0,0,0|2,0,0]=4 416 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O CNP0123647.0 [0,2,0,0,0,0|1,1,0]=4 417 B14R2.203 CCC1=C(C=CC2=CC=CC=C12)C CNP0567644.0 [0,2,0,0,0,0|1,0,0]=3 418 B14R2.203 NCC1=C(C=CC2=CC=CC=C12)O CNP0452658.0 [0,2,0,0,0,0|0,1,0]=3 419 B14R2.203 O=CC1=C(C=CC2=CC=CC=C12)O CNP0041661.0 [0,2,0,0,0,0|0,1,0]=3 420 B14R2.203 O=NC1=C(C=CC2=CC=CC=C12)O CNP0362281.0 [0,2,0,0,0,0|0,1,0]=3 421 B14R2.203 OCC1=C(C=NC2=CC=CC=C12)O CNP0114590.0 [0,2,0,0,0,0|1,1,0]=4 422 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C CNP0172933.0 [0,2,0,0,0,0|2,0,0]=4 423 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Br)Br CNP0381071.0 [0,2,0,0,0,0|2,0,0]=4 424 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br CNP0100364.0 [0,2,0,0,0,0|2,0,0]=4 425 B14R2.4513 O=C1C=CC2=CC=C(C(=C2O1)O)O CNP0205963.0 [0,2,0,0,0,0|1,1,0]=4 426 B14R2.7724 CC1=CC(=C2C=CC=CC2=C1O)N CNP0334082.0 [0,2,0,0,0,0|1,0,0]=3 427 B14R2.7724 CC1=CC(=C2C=CC=CC2=C1O)O CNP0126836.0 [0,2,0,0,0,0|1,0,0]=3 428 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O CNP0289736.0 [0,2,0,0,0,0|1,0,0]=3 429 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2N1C CNP0288264.0 [0,2,0,0,0,0|2,0,0]=4 430 B14R2.7724 CC1=CC(=O)N(C2=CC=CC=C12)C CNP0256321.0 [0,2,0,0,0,0|1,1,0]=4 431 B14R2.7724 CN1C(=O)C=C(C2=CC=CC=C12)O CNP0184684.0 [0,2,0,0,0,0|1,1,0]=4 432 B14R2.7724 O=C1C=C(C(=O)C2=CC=CC=C12)Cl CNP0044977.0 [0,2,0,0,0,0|1,0,0]=3 433 B14R2.7724 O=C1C=C(C(=O)C2=CC=CC=C12)O CNP0218319.0 [0,2,0,0,0,0|0,1,0]=3 434 B14R2.7724 O=C1C=C(C2=CC=CC=C2C1=O)O CNP0303808.0 [0,2,0,0,0,0|0,1,0]=3 435 B14R2.7724 O=C1OC(=C(C2=CC=CC=C12)Cl)Cl CNP0566223.0 [0,2,0,0,0,0|2,0,0]=4 436 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Br)Br CNP0369792.0 [0,2,0,0,0,0|2,0,0]=4 437 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Cl)Cl CNP0108425.0 [0,2,0,0,0,0|2,0,0]=4 438 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Cl)I CNP0276443.0 [0,2,0,0,0,0|2,0,0]=4 439 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)I)I CNP0341342.0 [0,2,0,0,0,0|2,0,0]=4 440 B14R2.7724 OC1=CC(=C2C=CC=CC2=C1O)O CNP0265485.0 [0,2,0,0,0,0|0,1,0]=3 441 B14R2.8038 CC1=CC=C2C(=CC=CC2=C1C)C CNP0243514.0 [0,2,0,0,0,0|1,0,0]=3 442 B14R2.8038 O=C1C=COC2=C(C(=CC=C12)O)O CNP0121065.0 [0,2,0,0,0,0|1,1,0]=4 443 B14R2.8188 CC1=C(C(=O)C2=CC=CC=C2N1)C CNP0174314.0 [0,2,0,0,0,0|2,0,0]=4 444 B14R2.8188 CC1=C(C2=CC=CC=C2OC1=O)O CNP0333808.0 [0,2,0,0,0,0|1,1,0]=4 445 B14R2.8188 CC1=C(OC2=CC=CC=C2C1=O)O CNP0071048.0 [0,2,0,0,0,0|1,1,0]=4 446 B14R2.8188 CC1=CC2=CC=CC=C2C(=C1C)Br CNP0065862.0 [0,2,0,0,0,0|1,0,0]=3 447 B14R2.8188 CC1=CC2=NC=CC=C2C(=C1O)C CNP0284419.0 [0,2,0,0,0,0|1,1,0]=4 448 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1O)O CNP0263942.0 [0,2,0,0,0,0|1,1,0]=4 449 B14R2.8188 O=C1NC2=CC=CC=C2C(=C1O)O CNP0343165.0 [0,2,0,0,0,0|1,1,0]=4 450 B14R2.8188 O=C1OC2=CC=CC=C2C(=C1Br)O CNP0451403.0 [0,2,0,0,0,0|1,1,0]=4 451 B14R2.8188 OC1=CC2=CC=CC=C2C(=C1O)O CNP0221810.0 [0,2,0,0,0,0|0,1,0]=3 452 B14R2.8188 OC1=CC2=CN=CC=C2C(=C1O)O CNP0319490.0 [0,2,0,0,0,0|1,1,0]=4 453 B14R2.8188 OC1=NC2=CC=CC=C2C(=C1O)O CNP0580134.0 [0,2,0,0,0,0|1,1,0]=4 454 B14R2.28523 O=C1C=CC2=CC=CC(=C2C1=O)O CNP0335813.0 [0,2,0,0,0,0|0,1,0]=3 455 B14R2.29369 CC1=CC=C2C(=C(C=CC2=C1)C)C CNP0397817.0 [0,2,0,0,0,0|1,0,0]=3 456 B14R2.29369 CC1=CC=C2C(=C(C=CC2=N1)C)N CNP0055878.0 [0,2,0,0,0,0|2,0,0]=4 457 B14R2.29369 O=C1C(=COC2=CC(=CC=C12)O)Cl CNP0029226.0 [0,2,0,0,0,0|1,1,0]=4 458 B14R2.29369 O=C1C(=COC2=CC(=CC=C12)O)O CNP0158307.0 [0,2,0,0,0,0|1,1,0]=4 459 B14R2.112 CC=CC1=CC=C2C=CC=CC2=N1 CNP0312111.0 [0,2,0,0,0,0|2,0,0]=4 460 B14R2.112 CCCC1=CC=C2C=CC=CC2=N1 CNP0276038.0 [0,2,0,0,0,0|2,0,0]=4 461 B14R2.112 CCCC1=CN=C2C=CC=CC2=C1 CNP0572034.0 [0,2,0,0,0,0|2,0,0]=4 462 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 CNP0003641.0 [0,2,0,0,0,0|0,1,0]=3 463 B14R2.112 CSSC1=CC=C2C=CC=CC2=N1 CNP0077863.0 [0,2,0,0,0,0|1,0,0]=3 464 B14R2.112 OCC[N+]1=CC=C2C=CC=CC2=C1 CNP0602838.0 [0,2,0,0,0,0|1,1,0]=4 465 B14R2.112 ON=CC1=CC=C2C=CC=CC2=C1 CNP0023973.0 [0,2,0,0,0,0|0,1,0]=3 466 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 CNP0107419.0 [0,2,0,0,0,0|1,1,0]=4 467 B14R2.134 COC1=CC=C2C=NC(=CC2=C1)C CNP0292494.0 [0,2,0,0,0,0|1,1,0]=4 468 B14R2.134 O=CC1=CC=C2C=CC(=O)OC2=C1 CNP0605757.0 [0,2,0,0,0,0|1,1,0]=4 469 B14R2.142 CCC1=CC=C2C=CC=C(C2=C1)C CNP0611604.0 [0,2,0,0,0,0|1,0,0]=3 470 B14R2.142 COC1=CC=C2C=CC=C(C2=N1)O CNP0383374.0 [0,2,0,0,0,0|1,1,0]=4 471 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)C CNP0235585.0 [0,2,0,0,0,0|1,1,0]=4 472 B14R2.142 COC1=CC=C2OC=CC(=O)C2=C1 CNP0021965.0 [0,2,0,0,0,0|1,1,0]=4 473 B14R2.142 NNC1=CC=C2C=CC=C(C2=N1)O CNP0518151.0 [0,2,0,0,0,0|2,0,0]=4 474 B14R2.142 O=CC1=CC=C2C=CC=C(C2=N1)O CNP0205106.0 [0,2,0,0,0,0|1,1,0]=4 475 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0163282.0 [0,2,0,0,0,0|0,1,0]=3 476 B14R2.781 NC(=O)C1=CN=C2C=CC=CC2=C1 CNP0181073.0 [0,2,0,0,0,0|1,1,0]=4 477 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 CNP0083467.0 [0,2,0,0,0,0|0,1,0]=3 478 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 CNP0097420.0 [0,2,0,0,0,0|1,1,0]=4 479 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=C1 CNP0507176.0 [0,2,0,0,0,0|1,1,0]=4 480 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 CNP0513879.0 [0,2,0,0,0,0|0,1,0]=3 481 B14R2.1019 CCC1=CC2=CC=CC=C2C(=O)O1 CNP0426577.0 [0,2,0,0,0,0|2,0,0]=4 482 B14R2.1019 COC1=CC(=C2C=NC=CC2=C1)O CNP0574756.0 [0,2,0,0,0,0|1,1,0]=4 483 B14R2.1019 O=CC1=CC(=O)C2=CC=CC=C2N1 CNP0329985.0 [0,2,0,0,0,0|1,1,0]=4 484 B14R2.1019 O=CC1=CC2=CC=CC=C2C(=O)O1 CNP0266935.0 [0,2,0,0,0,0|1,1,0]=4 485 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CBr CNP0063133.0 [0,2,0,0,0,0|1,0,0]=3 486 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CCl CNP0202766.0 [0,2,0,0,0,0|1,0,0]=3 487 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O CNP0565978.0 [0,2,0,0,0,0|0,1,0]=3 488 B14R2.1128 COC1=CC2=CC=CC=C2OC1=O CNP0191557.0 [0,2,0,0,0,0|1,1,0]=4 489 B14R2.1128 COC1=CC2=CC=NC=C2C=C1O CNP0040035.0 [0,2,0,0,0,0|1,1,0]=4 490 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=N CNP0451143.0 [0,2,0,0,0,0|2,0,0]=4 491 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O CNP0385602.0 [0,2,0,0,0,0|1,1,0]=4 492 B14R2.1128 N#CC1=NC2=CC=CC=C2C=C1O CNP0326648.0 [0,2,0,0,0,0|1,1,0]=4 493 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O CNP0373883.0 [0,2,0,0,0,0|1,1,0]=4 494 B14R2.1128 [N]=C1OC2=CC=CC=C2C=C1C#N CNP0533847.0 [0,2,0,0,0,0|2,0,0]=4 495 B14R2.1801 COC1=CC=C2C(=O)C=CCC2=C1 CNP0065010.0 [0,2,0,0,0,0|0,1,1]=4 496 B14R2.1801 NCC1=CC=C2C(=CC=CC2=C1)Br CNP0445913.0 [0,2,0,0,0,0|1,0,0]=3 497 B14R2.1801 O=CC1=CC=C2C(=CC=CC2=C1)Br CNP0460613.0 [0,2,0,0,0,0|0,1,0]=3 498 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)C CNP0021947.0 [0,2,0,0,0,0|1,1,0]=4 499 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 CNP0309169.0 [0,2,0,0,0,0|1,1,0]=4 500 B14R2.8239 CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0356490.0 [0,2,0,0,0,0|1,1,0]=4 501 B14R2.8239 CC1=CC2=C(C=CC(=O)O2)C=C1O CNP0231681.0 [0,2,0,0,0,0|1,1,0]=4 502 B14R2.8239 CC1=CC2=CC=C(C=C2OC1=O)O CNP0245727.0 [0,2,0,0,0,0|1,1,0]=4 503 B14R2.8239 CC1=CC=C2C=C(C(=CC2=C1)C)C CNP0159718.0 [0,2,0,0,0,0|1,0,0]=3 504 B14R2.8239 O=C1C=C2OC(=CC=C2C=C1O)O CNP0009576.0 [0,2,0,0,0,0|1,1,0]=4 505 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)Cl CNP0038705.0 [0,2,0,0,0,0|1,1,0]=4 506 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)O CNP0386988.0 [0,2,0,0,0,0|1,1,0]=4 507 B14R2.8239 O=C1OC2=CC(=CC=C2C=C1O)O CNP0410081.0 [0,2,0,0,0,0|1,1,0]=4 508 B14R2.29365 CC1=CC(=O)C2=CC=C(C=C2O1)O CNP0300806.0 [0,2,0,0,0,0|1,1,0]=4 509 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)N CNP0330945.0 [0,2,0,0,0,0|1,1,0]=4 510 B14R2.29365 CC1=CC(=O)OC2=CC(=CC=C12)N CNP0361048.0 [0,2,0,0,0,0|1,1,0]=4 511 B14R2.29365 CC1=CC(=O)OC2=CC(=CC=C12)O CNP0323480.0 [0,2,0,0,0,0|1,1,0]=4 512 B14R2.29365 CC1=CC=C2C(=CC(=CC2=C1)C)C CNP0322737.0 [0,2,0,0,0,0|1,0,0]=3 513 B14R2.29365 CC1=CC=C2C(=CC(=O)OC2=C1)C CNP0413432.0 [0,2,0,0,0,0|1,1,0]=4 514 B14R2.29365 CC1=CC=C2C(=CC(=O)OC2=C1)O CNP0456639.0 [0,2,0,0,0,0|1,1,0]=4 515 B14R2.29365 O=C1C=C(C2=CC=C(C=C2O1)O)O CNP0322727.0 [0,2,0,0,0,0|1,1,0]=4 516 B14R2.29365 O=C1C=CC2=C(C=C(C=C2O1)O)O CNP0302708.0 [0,2,0,0,0,0|1,1,0]=4 517 B14R2.29365 OC1=CC=C2C(=CC(=CC2=C1)O)O CNP0114435.0 [0,2,0,0,0,0|0,1,0]=3 518 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)C CNP0269996.0 [0,2,0,0,0,0|2,0,0]=4 519 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Cl CNP0057353.0 [0,2,0,0,0,0|2,0,0]=4 520 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C CNP0041961.0 [0,2,0,0,0,0|2,0,0]=4 521 B14R2.8045 CC1=CC(=O)C2=CC=CC(=C2N1)C CNP0562582.0 [0,2,0,0,0,0|2,0,0]=4 522 B14R2.8045 CC1=CC(=O)C2=CC=CC(=C2O1)O CNP0205573.0 [0,2,0,0,0,0|2,0,0]=4 523 B14R2.8045 CC1=CC(=O)NC2=C(C=CC=C12)C CNP0223940.0 [0,2,0,0,0,0|1,1,0]=4 524 B14R2.8045 CC1=CC(=O)OC2=C(C=CC=C12)O CNP0577199.0 [0,2,0,0,0,0|1,1,0]=4 525 B14R2.8045 CC1=CC=CC2=C(C=C(N=C12)Cl)Cl CNP0051465.0 [0,2,0,0,0,0|2,0,0]=4 526 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O CNP0468058.0 [0,2,0,0,0,0|1,1,0]=4 527 B14R2.8045 CC1=CC=NC2=C(C=C(C=C12)O)C CNP0292978.0 [0,2,0,0,0,0|1,1,0]=4 528 B14R2.8045 O=C1C=C(C2=CC=CC(=C2O1)O)O CNP0298146.0 [0,2,0,0,0,0|1,1,0]=4 529 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Br CNP0252914.0 [0,2,0,0,0,0|2,0,0]=4 530 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Cl CNP0175827.0 [0,2,0,0,0,0|2,0,0]=4 531 B14R2.8235 CC1=CC(=C2C=C(C=CC2=C1)C)C CNP0251320.0 [0,2,0,0,0,0|1,0,0]=3 532 B14R2.8235 CC1=CC(=C2C=C(C=CC2=C1)O)O CNP0537299.0 [0,2,0,0,0,0|0,1,0]=3 533 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Br)Cl CNP0054347.0 [0,2,0,0,0,0|2,0,0]=4 534 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)N)O CNP0361228.0 [0,2,0,0,0,0|2,0,0]=4 535 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)O)O CNP0546707.0 [0,2,0,0,0,0|1,1,0]=4 536 B14R2.8235 CC1=CC(=C2N=C(C=CC2=C1)C)C CNP0200732.0 [0,2,0,0,0,0|2,0,0]=4 537 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)Cl CNP0578018.0 [0,2,0,0,0,0|1,1,0]=4 538 B14R2.8235 CC1=CC(=O)OC2=CC=C(C=C12)O CNP0360386.0 [0,2,0,0,0,0|1,1,0]=4 539 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)C CNP0403291.0 [0,2,0,0,0,0|2,0,0]=4 540 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C CNP0034283.0 [0,2,0,0,0,0|2,0,0]=4 541 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)Cl CNP0051688.0 [0,2,0,0,0,0|2,0,0]=4 542 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)O)O CNP0529308.0 [0,2,0,0,0,0|1,1,0]=4 543 B14R2.8235 CC1=CC=C2OC(=O)C=C(C2=C1)O CNP0472566.0 [0,2,0,0,0,0|1,1,0]=4 544 B14R2.8235 O=C1C=C(C2=CC(=CC=C2N1)Br)O CNP0144857.0 [0,2,0,0,0,0|1,1,0]=4 545 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O CNP0453549.0 [0,2,0,0,0,0|1,1,0]=4 546 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Cl)O CNP0107403.0 [0,2,0,0,0,0|1,1,0]=4 547 B14R2.8235 OC1=CC(=C2C=C(C=CC2=N1)Br)O CNP0612149.0 [0,2,0,0,0,0|1,1,0]=4 548 B14R2.8751 CC1=CC=C(C2=C1C=CC(=O)O2)N CNP0365303.0 [0,2,0,0,0,0|1,1,0]=4 549 B14R2.8751 CC1=CC=C(C2=C1C=CC(=O)O2)O CNP0506877.0 [0,2,0,0,0,0|1,1,0]=4 550 B14R2.8751 CC1=CC=C2C(=O)C=CC(=O)C2=C1 CNP0102816.0 [0,2,0,0,0,0|1,0,0]=3 551 B14R2.8751 O=C1C=CC2=C(C=CC(=C2O1)O)O CNP0254075.0 [0,2,0,0,0,0|1,1,0]=4 552 B14R2.11684 CCC1=CC=CC2=CC=C(N=C12)C CNP0397522.0 [0,2,0,0,0,0|2,0,0]=4 553 B14R2.11684 COC1=CC=CC2=C1OC(=O)C=C2 CNP0331966.0 [0,2,0,0,0,0|1,1,0]=4 554 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)C CNP0080173.0 [0,2,0,0,0,0|2,0,0]=4 555 B14R2.28472 CC1=CC2=C(C=C1Cl)C(=O)C=CO2 CNP0024253.0 [0,2,0,0,0,0|2,0,0]=4 556 B14R2.28472 CC1=CC2=CC=CC(=C2C=C1C)C CNP0265529.0 [0,2,0,0,0,0|1,0,0]=3 557 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1C)C CNP0320200.0 [0,2,0,0,0,0|2,0,0]=4 558 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1O)O CNP0085136.0 [0,2,0,0,0,0|1,1,0]=4 559 B14R2.28472 O=C1C=COC2=CC(=C(C=C12)O)O CNP0422825.0 [0,2,0,0,0,0|1,1,0]=4 560 B14R2.1146 CNC1=CC(=O)OC2=CC=CC=C12 CNP0047414.0 [0,2,0,0,0,0|1,1,0]=4 561 B14R2.1146 COC1=CC(=NC2=CC=CC=C12)C CNP0292426.0 [0,2,0,0,0,0|2,0,0]=4 562 B14R2.1146 COC1=CC(=NC2=CC=CC=C12)O CNP0503545.0 [0,2,0,0,0,0|1,1,0]=4 563 B14R2.1146 COC1=CC(=O)NC2=CC=CC=C12 CNP0145550.0 [0,2,0,0,0,0|1,1,0]=4 564 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 CNP0022166.0 [0,2,0,0,0,0|1,1,0]=4 565 B14R2.28480 CC1=CC(=C2C(=CC=CC2=C1)O)O CNP0122675.0 [0,2,0,0,0,0|1,0,0]=3 566 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C CNP0080076.0 [0,2,0,0,0,0|2,0,0]=4 567 B14R2.28480 CC1=CC(=O)C2=C(C=CC=C2O1)C CNP0202455.0 [0,2,0,0,0,0|2,0,0]=4 568 B14R2.28480 CC1=CC(=O)C2=C(C=CC=C2O1)O CNP0237764.0 [0,2,0,0,0,0|2,0,0]=4 569 B14R2.28480 CC1=CC(=O)OC2=CC=CC(=C12)O CNP0145645.0 [0,2,0,0,0,0|1,1,0]=4 570 B14R2.28480 CC1=CC2=CC=CC(=C2C(=N1)C)O CNP0070363.0 [0,2,0,0,0,0|2,0,0]=4 571 B14R2.28480 CC1=CC2=CC=CC(=C2C(=O)O1)O CNP0211868.0 [0,2,0,0,0,0|2,0,0]=4 572 B14R2.28480 CC1=CC=CC2=C1C(=CC(=O)O2)O CNP0152125.0 [0,2,0,0,0,0|1,1,0]=4 573 B14R2.28480 CC1=CC=CC2=C1C(=O)C=C(O2)O CNP0564272.0 [0,2,0,0,0,0|1,1,0]=4 574 B14R2.28480 O=C1C=COC2=CC(=CC(=C12)O)O CNP0323885.0 [0,2,0,0,0,0|1,1,0]=4 575 B14R2.28480 O=C1NC=CC2=CC(=CC(=C12)O)O CNP0371386.0 [0,2,0,0,0,0|1,1,0]=4 576 B14R2.28480 OC1=CC(=C2C(=CC=CC2=C1)O)O CNP0096816.0 [0,2,0,0,0,0|0,1,0]=3 577 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)O2 CNP0275397.0 [0,2,0,0,0,0|1,1,0]=4 578 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,0,2,0,0,0|0,1,1]=4 579 B12R2.41 C1=CC2=CC=CC=C2C=CC1 CNP0496294.0 [0,0,1,1,0,0|1,0,1]=4 580 B12R2.41 C1=CC2=CC=CC=C2NN=C1 CNP0558669.0 [0,0,1,1,0,0|2,0,0]=4 581 B12R2.41 C1=CC=C2CC=CC=C2C=C1 CNP0563249.0 [0,0,1,1,0,0|1,0,1]=4 582 B12R2.315 O=CC1=CC=CC2=C1C=CN2 CNP0081672.0 [0,0,1,1,0,0|2,0,0]=4 583 B12R2.586 OC1=CC=C2C1=CC=CC=C2 CNP0566607.0 [0,0,1,1,0,0|0,1,0]=3 584 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 CNP0061663.0 [0,0,1,1,0,0|1,0,0]=3 585 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,0,1,0,1,0|2,0,0]=4 586 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,0,1,0,1,0|1,0,0]=3 587 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,0,1,0,1,0|0,1,0]=3 588 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,0,1,0,1,0|0,1,1]=4 589 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,0,1,0,1,0|1,1,0]=4 590 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,0,1,0,1,0|1,1,0]=4 591 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,0,1,0,1,0|1,0,1]=4 592 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,0,1,0,1,0|1,1,0]=4 593 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,0,1,0,1,0|1,1,0]=4 594 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,0,1,0,1,0|1,0,1]=4 595 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,0,1,0|2,0,0]=4 596 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,0,1,0|0,0,1]=3 597 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,0,1,0|1,0,0]=3 598 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,0,1,0|1,0,0]=3 599 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,0,1,0|1,0,0]=3 600 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,0,1,0|2,0,0]=4 601 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,0,1,0|1,0,0]=3 602 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,0,1,0|1,0,1]=4 603 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,0,1,0|1,0,0]=3 604 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,0,1,0|2,0,0]=4 605 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,0,1,0|2,0,0]=4 606 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,0,1,0|1,0,0]=3 607 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,0,1,0|2,0,0]=4 608 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,0,1,0|1,0,0]=3 609 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,0,1,0|2,0,0]=4 610 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,0,1,0|2,0,0]=4 611 B10R2.7 C1=CN2C=CN=CC2=C1 CNP0287056.0 [1,0,0,0,1,0|2,0,0]=4 612 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,0,1,0|2,0,0]=4 613 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,0,1,0|1,0,1]=4 614 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,0,2,0|0,1,1]=4 615 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,1,0,0,1|1,1,0]=4 616 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,1,0,0,1|1,1,0]=4 617 B14R2.5672 O=C1C=CC2=CC=CC=C(C2)C=C1 CNP0466307.0 [0,0,0,0,0,2|0,1,0]=3