0 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,0,0,0,0,0|1,0,2]=3 2 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 CNP0223788.0 [0,0,0,0,0,0|0,1,2]=3 5 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)N CNP0177097.0 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)O CNP0030837.0 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CNP0010263.0 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 CNP0467271.0 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)O CNP0119141.0 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Br CNP0032263.0 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Cl CNP0130218.0 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)O CNP0421775.0 [0,0,0,0,0,0|2,0,1]=3 15 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [1,0,0,0,0,0|1,0,0]=2 17 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [1,0,0,0,0,0|1,0,0]=2 21 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [1,0,0,0,0,0|1,0,0]=2 33 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [1,0,0,0,0,0|0,0,0]=1 34 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [1,0,0,0,0,0|1,0,2]=4 36 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [1,0,0,0,0,0|1,0,2]=4 37 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [1,0,0,0,0,0|0,0,2]=3 38 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [1,0,0,0,0,0|1,0,1]=3 40 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [1,0,0,0,0,0|1,0,1]=3 42 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [1,0,0,0,0,0|1,0,1]=3 43 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [1,0,0,0,0,0|1,1,0]=3 47 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [1,0,0,0,0,0|1,0,0]=2 48 B14R2.2332 CCC1=CC=C2CC(=O)CCC2=C1 CNP0150137.0 [0,1,0,0,0,0|1,0,2]=4 49 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)C CNP0021947.0 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 CNP0309169.0 [0,1,0,0,0,0|0,0,0]=1 51 B14R2.4493 CC1(C=CC2=CC(=CC=C2O1)O)C CNP0314812.0 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.4493 OC1=CC=C2OC(C=CC2=C1)(O)O CNP0192564.0 [0,1,0,0,0,0|1,0,2]=4 53 B14R2.8235 CC1=CC(=C2C=C(C=CC2=C1)C)C CNP0251320.0 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.8235 CC1=CC(=C2C=C(C=CC2=C1)O)O CNP0537299.0 [0,1,0,0,0,0|1,0,1]=3 55 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Br)Cl CNP0054347.0 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)N)O CNP0361228.0 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)O)O CNP0546707.0 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.8235 CC1=CC(=C2N=C(C=CC2=C1)C)C CNP0200732.0 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)Cl CNP0578018.0 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.8235 CC1=CC(=O)C2=C(O1)CCC(=O)O2 CNP0414572.0 [0,1,0,0,0,0|1,0,2]=4 61 B14R2.8235 CC1=CC(=O)OC2=CC=C(C=C12)O CNP0360386.0 [0,1,0,0,0,0|1,0,0]=2 62 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)C CNP0403291.0 [0,1,0,0,0,0|2,0,0]=3 63 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C CNP0034283.0 [0,1,0,0,0,0|2,0,0]=3 64 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)Cl CNP0051688.0 [0,1,0,0,0,0|2,0,0]=3 65 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)O)O CNP0529308.0 [0,1,0,0,0,0|1,0,1]=3 66 B14R2.8235 CC1=CC=C2N=C(C=C([N+]2=C1)C)C CNP0494798.0 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.8235 CC1=CC=C2OC(=O)C=C(C2=C1)O CNP0472566.0 [0,1,0,0,0,0|0,0,0]=1 68 B14R2.8235 CC1=CC=C2O[C@H](CC(=O)C2=C1)C CNP0157948.1 [0,1,0,0,0,0|1,0,2]=4 69 B14R2.8235 CC1=CCC2=CC(=CC(=C2O1)O)C CNP0146063.0 [0,1,0,0,0,0|1,0,1]=3 70 B14R2.8235 O=C1C=C(C2=CC(=CC=C2N1)Br)O CNP0144857.0 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O CNP0453549.0 [0,1,0,0,0,0|1,0,0]=2 72 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Cl)O CNP0107403.0 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.8235 OC1=CC(=C2C=C(C=CC2=N1)Br)O CNP0612149.0 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.8239 CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0356490.0 [0,1,0,0,0,0|0,0,0]=1 75 B14R2.8239 CC1=CC2=C(C=CC(=O)O2)C=C1O CNP0231681.0 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.8239 CC1=CC2=CC=C(C=C2OC1=O)O CNP0245727.0 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.8239 CC1=CC2=NC(=O)C(=O)N=C2C=C1 CNP0094434.0 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.8239 CC1=CC=C2C=C(C(=CC2=C1)C)C CNP0159718.0 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CNP0498919.0 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.8239 CN1CC2=CC(=CC=C2OC1=O)Br CNP0056386.0 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.8239 O=C1C=C2OC(=CC=C2C=C1O)O CNP0009576.0 [0,1,0,0,0,0|1,0,1]=3 82 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)Cl CNP0038705.0 [0,1,0,0,0,0|1,0,0]=2 83 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)O CNP0386988.0 [0,1,0,0,0,0|1,0,0]=2 84 B14R2.8239 O=C1CCC2=CC(=C(C=C2O1)O)O CNP0106848.0 [0,1,0,0,0,0|1,0,2]=4 85 B14R2.29369 CC1=CC=C2C(=C(C=CC2=C1)C)C CNP0397817.0 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.29369 CC1=CC=C2C(=C(C=CC2=N1)C)N CNP0055878.0 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,0,1,0,0,0|2,0,1]=4 88 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,0,1,0,0,0|2,0,1]=4 89 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,0,1,0,0,0|1,0,0]=2 90 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,0,1,0,0,0|1,0,0]=2 91 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,0,1,0,0,0|1,0,0]=2 92 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,0,1,0,0,0|1,0,2]=4 93 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,0,1,0,0,0|2,0,1]=4 94 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,0,1,0,0,0|1,0,2]=4 95 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,0,1,0,0,0|2,0,1]=4 96 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,0,1,0,0,0|2,0,1]=4 97 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,0,1,0,0,0|1,0,2]=4 98 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,0,0,0,1,0|1,0,0]=2 99 B12R2.606 CC1=CC=C2N=C(SC2=C1)N CNP0065515.0 [0,0,0,0,1,0|3,0,0]=4 100 B12R2.606 CC1=CC=C2SC(=CC2=N1)C CNP0230273.0 [0,0,0,0,1,0|2,1,0]=4 101 B12R2.606 N=C1NC2=CC(=CC=C2O1)Cl CNP0335896.0 [0,0,0,0,1,0|3,0,0]=4 102 B12R2.606 NC1=NC2=CC(=CC=C2O1)Cl CNP0499273.0 [0,0,0,0,1,0|3,0,0]=4 103 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,0,0,0,1,0|2,0,1]=4 104 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,0,0,0,1,0|2,0,1]=4 105 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,0,0,0,1,0|2,0,1]=4 106 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,0,0,0,1,0|1,0,1]=3 107 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,0,0,0,1,0|3,0,0]=4 108 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,0,0,0,1,0|3,0,0]=4 109 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,0,0,0,1,0|3,0,0]=4 110 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,0,0,0,1,0|2,0,0]=3 111 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,0,0,0,1,0|3,0,0]=4 112 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,0,0,0,1,0|3,0,0]=4 113 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,0,0,0,1,0|2,1,0]=4 114 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,0,0,0,1,0|2,0,1]=4 115 B12R2.606 OC1=NC2=CC(=CC=C2O1)Cl CNP0199487.0 [0,0,0,0,1,0|2,0,1]=4 116 B12R2.612 BrC1=CC=C2C(=CNC2=C1)Br CNP0136142.0 [0,0,0,0,1,0|3,0,0]=4 117 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,0,0,0,1,0|3,0,0]=4 118 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,0,0,0,1,0|0,0,2]=3 119 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,0,0,0,1,0|1,0,1]=3 120 B12R2.612 ClC1=CNC2=CC(=CC=C12)Br CNP0400940.0 [0,0,0,0,1,0|3,0,0]=4 121 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,0,0,0,1,0|1,0,2]=4 122 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,0,0,0,1,0|2,0,1]=4 123 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,0,0,0,1,0|3,0,0]=4 124 B14R2.8253 O=C1C=CC2=CC(=O)C=CC(=C1)C2 CNP0022319.0 [0,0,0,0,0,1|2,0,0]=3 125 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,0,1,0,0,0|1,0,1]=4 127 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,1,0,0,0|0,0,1]=3 128 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,0,1,0,0,0|1,0,1]=4 129 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,0,1,0,0,0|0,0,2]=4 131 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,1,0,0,0|1,0,0]=3 132 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [1,0,1,0,0,0|1,0,1]=4 133 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,1,0,0,0|1,0,0]=3 134 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,1,0,0,0|1,0,0]=3 135 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,1,0,0,0|0,0,2]=4 136 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,1,0,0,0|0,0,0]=2 137 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [1,0,1,0,0,0|1,0,0]=3 138 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [1,0,1,0,0,0|0,0,2]=4 139 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,1,0,0,0|0,0,2]=4 140 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,1,0,0,0|1,0,1]=4 141 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,1,0,0,0|1,0,1]=4 142 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,1,0,0,0|1,0,1]=4 143 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [1,0,1,0,0,0|1,0,1]=4 144 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [1,0,1,0,0,0|0,0,2]=4 145 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [1,0,1,0,0,0|0,0,0]=2 146 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [1,0,1,0,0,0|0,0,1]=3 147 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [2,0,0,0,0,0|1,0,1]=4 148 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [2,0,0,0,0,0|2,0,0]=4 149 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [2,0,0,0,0,0|0,0,1]=3 150 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [2,0,0,0,0,0|1,0,0]=3 151 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [2,0,0,0,0,0|2,0,0]=4 152 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [2,0,0,0,0,0|1,0,0]=3 153 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [2,0,0,0,0,0|2,0,0]=4 154 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [2,0,0,0,0,0|2,0,0]=4 155 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [2,0,0,0,0,0|2,0,0]=4 156 B13R1.19 CC1=CC=C(C=C1)OC(=O)CCN CNP0457555.0 [0,1,1,0,0,0|0,0,2]=4 157 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,1,1,0,0,0|1,0,1]=4 158 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,1,1,0,0,0|2,0,0]=4 159 B13R1.133 CC1=CC=C(C=C1)OC(=O)C(C)C CNP0286519.0 [0,1,1,0,0,0|0,0,2]=4 160 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)C CNP0033103.0 [0,1,1,0,0,0|1,0,1]=4 161 B13R1.51 COC1=CC(=CC=C1OC(=O)C)C CNP0189629.0 [0,1,1,0,0,0|1,0,1]=4 162 B13R1.15 CCC(=O)C=CC1=CC=CC(=O)O1 CNP0574296.0 [0,1,1,0,0,0|1,0,0]=3 163 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,1,1,0,0,0|1,0,0]=3 164 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,1,1,0,0,0|1,0,0]=3 165 B13R1.148 CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0530805.1 [0,1,1,0,0,0|0,0,2]=4 166 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,1,1,0,0,0|1,0,1]=4 167 B13R1.150 O=C(O)C=CC1=CC=CC(=C1O)O CNP0316964.0 [0,1,1,0,0,0|1,0,0]=3 168 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [0,1,1,0,0,0|2,0,0]=4 169 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [0,1,1,0,0,0|0,0,0]=2 170 B13R1.511 NC(=O)C=CC1=CC=C(C(=C1)O)O CNP0555794.0 [0,1,1,0,0,0|2,0,0]=4 171 B13R1.511 O=C(O)C=CC1=CC(=O)C(=O)C=C1 CNP0081893.0 [0,1,1,0,0,0|1,0,0]=3 172 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)Cl)Cl CNP0275534.0 [0,1,1,0,0,0|1,0,0]=3 173 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [0,1,1,0,0,0|1,0,0]=3 174 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [0,1,1,0,0,0|0,0,0]=2 175 B13R1.643 COC1=CC=CC(=C1)C=C[N+](=O)[O-] CNP0478941.0 [0,1,1,0,0,0|1,0,1]=4 176 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,1,1,0,0,0|0,0,2]=4 177 B13R1.893 O=C(O)C=CC1=CC(=CC=C1O)O CNP0110380.0 [0,1,1,0,0,0|1,0,0]=3 178 B13R1.3420 CC1=CC(=CC(=C1)C=CC(=O)O)C CNP0453525.0 [0,1,1,0,0,0|0,0,0]=2 179 B13R1.3420 O=C(O)C=CC1=CC(=CC(=C1)O)O CNP0306704.0 [0,1,1,0,0,0|1,0,0]=3 180 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)C)Br CNP0399285.0 [0,1,1,0,0,0|1,0,1]=4 181 B13R1.446 CC=CC(=O)C1=CC(=CC=C1C)C CNP0598613.0 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.446 CC=CC(=O)C1=CC(=CC=C1O)O CNP0132941.0 [0,1,1,0,0,0|2,0,0]=4 183 B13R1.656 O=CNC=CC1=CC(=CC=C1O)O CNP0344792.0 [0,1,1,0,0,0|1,0,0]=3 184 B13R1.3395 C=CC=CC1=C(C=CC(=C1C)C)C CNP0612161.0 [0,1,1,0,0,0|2,0,0]=4 185 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [1,1,0,0,0,0|1,0,0]=3 186 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [1,1,0,0,0,0|1,0,0]=3 187 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [1,1,0,0,0,0|1,0,0]=3 192 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [1,1,0,0,0,0|1,0,1]=4 193 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [1,1,0,0,0,0|1,0,1]=4 194 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [1,1,0,0,0,0|1,0,0]=3 195 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [1,1,0,0,0,0|1,0,0]=3 196 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [1,1,0,0,0,0|1,0,1]=4 197 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [1,1,0,0,0,0|0,0,1]=3 198 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 CNP0294953.0 [1,1,0,0,0,0|1,0,1]=4 199 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 CNP0200433.0 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CNP0375851.0 [1,1,0,0,0,0|1,0,1]=4 202 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 CNP0129350.0 [1,1,0,0,0,0|1,0,0]=3 203 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CNP0090515.0 [1,1,0,0,0,0|1,0,1]=4 204 B13R2.155 CC1=CC=C2C=CC(=CC2=C1)O CNP0109582.0 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.155 CC1=CC=C2C=CC(=NC2=C1)C CNP0224653.0 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [1,1,0,0,0,0|0,0,0]=2 207 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 CNP0167186.0 [1,1,0,0,0,0|1,0,0]=3 208 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [1,1,0,0,0,0|0,0,0]=2 209 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [1,1,0,0,0,0|0,0,2]=4 210 B13R2.155 OC1=CC=C2C=CC(=CC2=C1)O CNP0611657.0 [1,1,0,0,0,0|1,0,1]=4 211 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [1,1,0,0,0,0|1,0,0]=3 212 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)C CNP0207344.0 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)O CNP0029119.0 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)C CNP0309408.0 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)N CNP0596449.0 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CNP0192947.0 [1,1,0,0,0,0|0,0,0]=2 217 B13R2.162 CC1=CC=C2OCCC(=O)C2=C1 CNP0104905.0 [1,1,0,0,0,0|0,0,2]=4 218 B13R2.162 CC1=CC=C2[NH+]=CC=C(C2=C1)N CNP0593426.0 [1,1,0,0,0,0|1,0,0]=3 219 B13R2.162 CN1C=CC=C2C1=CC(=O)C=C2 CNP0582015.0 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 CNP0056600.0 [1,1,0,0,0,0|1,0,0]=3 221 B13R2.162 NC1=CC=CC2=CC=C(C=C12)O CNP0058557.0 [1,1,0,0,0,0|1,0,1]=4 222 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O CNP0290938.0 [1,1,0,0,0,0|1,0,0]=3 223 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [1,1,0,0,0,0|0,0,0]=2 224 B13R2.162 O=C1C=CNC2=CC=C(C=C12)O CNP0568965.0 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.162 O=C1C=COC2=CC=C(C=C12)Br CNP0067975.0 [1,1,0,0,0,0|1,0,0]=3 226 B13R2.162 O=C1C=COC2=CC=C(C=C12)Cl CNP0240355.0 [1,1,0,0,0,0|1,0,0]=3 227 B13R2.162 OC1=CC=C2C=CC=C(C2=C1)O CNP0611675.0 [1,1,0,0,0,0|1,0,1]=4 228 B13R2.162 OC1=CC=C2N=CC=C(C2=C1)O CNP0154722.0 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.222 CC1(C=CC2=CC=CC=C2O1)C CNP0201807.0 [1,1,0,0,0,0|1,0,1]=4 230 B13R2.328 CC1=CC(=C2C=CC=CC2=C1)C CNP0318754.0 [1,1,0,0,0,0|1,0,0]=3 231 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)C CNP0211039.0 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)N CNP0568512.0 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)O CNP0344629.0 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.328 CC1=CC(=C2C=CC=CC2=[NH+]1)N CNP0537497.0 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.328 CC1=CC(=C2N=CC=CC2=C1)C CNP0159578.0 [1,1,0,0,0,0|1,0,0]=3 236 B13R2.328 CC1=CC(=NC2=CC=CC=C12)O CNP0373109.0 [1,1,0,0,0,0|1,0,1]=4 237 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [1,1,0,0,0,0|1,0,0]=3 238 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [1,1,0,0,0,0|0,0,0]=2 239 B13R2.328 CC1=CC(=S)C2=CC=CC=C2N1 CNP0143259.0 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.328 CC1=CC2=CC=CC=C2C(=N1)C CNP0233687.0 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [1,1,0,0,0,0|0,0,0]=2 243 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CNP0229016.0 [1,1,0,0,0,0|1,0,0]=3 244 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [1,1,0,0,0,0|0,0,0]=2 245 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [1,1,0,0,0,0|0,0,0]=2 246 B13R2.328 O=C1C=C(OC2=CC=CC=C12)O CNP0038758.0 [1,1,0,0,0,0|0,0,1]=3 247 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [1,1,0,0,0,0|2,0,0]=4 248 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [1,1,0,0,0,0|1,0,0]=3 251 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.328 OC1=CC(=C2C=CC=CC2=C1)O CNP0419188.0 [1,1,0,0,0,0|1,0,1]=4 254 B13R2.328 OC1=CC(=C2C=CC=CC2=N1)O CNP0532958.0 [1,1,0,0,0,0|1,0,1]=4 255 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CNP0221248.0 [1,1,0,0,0,0|1,0,0]=3 256 B13R2.369 CC1=CC2=CC=CC=C2N=C1C CNP0267853.0 [1,1,0,0,0,0|2,0,0]=4 257 B13R2.369 CC1=CC2=CC=CC=C2N=C1O CNP0132288.0 [1,1,0,0,0,0|1,0,1]=4 258 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [1,1,0,0,0,0|0,0,0]=2 259 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [1,1,0,0,0,0|0,0,0]=2 260 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [1,1,0,0,0,0|1,0,0]=3 263 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [1,1,0,0,0,0|0,0,0]=2 264 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [1,1,0,0,0,0|0,0,0]=2 265 B13R2.369 OC1=CC2=CC=CC=C2C=C1O CNP0610143.0 [1,1,0,0,0,0|1,0,1]=4 266 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [1,1,0,0,0,0|1,0,0]=3 267 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)N CNP0564606.0 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.5179 CC1=CC=C2C(=CC=[NH+]C2=C1)N CNP0510949.0 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [1,1,0,0,0,0|0,0,0]=2 272 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [1,1,0,0,0,0|1,0,1]=4 273 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [1,1,0,0,0,0|0,0,0]=2 274 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [1,1,0,0,0,0|1,0,1]=4 275 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CNP0028867.0 [0,1,0,0,1,0|1,0,0]=3 276 B13R2.43 OCC1=CC2=CC(=CC=C2O1)Br CNP0031036.0 [0,1,0,0,1,0|1,0,1]=4 277 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 CNP0215384.0 [0,1,0,0,1,0|2,0,0]=4 278 B13R2.2121 COC1=CC=C2NC(=O)SC2=C1 CNP0406672.0 [0,1,0,0,1,0|2,0,0]=4 279 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,1,0,0,1,0|1,0,0]=3 280 B13R2.3028 CC1=CC2=C(C(=O)OC2=CO1)C CNP0537519.0 [0,1,0,0,1,0|1,0,0]=3 281 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CNP0580911.0 [0,1,0,0,1,0|1,0,0]=3 282 B13R2.3028 CC1=CC=C2OC(C(=O)C2=C1)C CNP0531484.0 [0,1,0,0,1,0|1,0,1]=4 283 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)Br CNP0515536.0 [0,1,0,0,1,0|2,0,0]=4 284 B13R2.3028 O=C1NC2=CC=C(C=C2C1=O)I CNP0574455.0 [0,1,0,0,1,0|2,0,0]=4 285 B13R2.5190 CC1=CC=C2C(=C1)OC(=O)C2C CNP0002673.0 [0,1,0,0,1,0|2,0,0]=4 286 B13R2.5397 CC1=CC(=C2CC(=O)OC2=C1)C CNP0412114.0 [0,1,0,0,1,0|2,0,0]=4 287 B13R2.662 CC1=CC=C2C(=COC2=C1)CO CNP0306512.0 [0,1,0,0,1,0|1,0,1]=4 288 B13R2.662 O=CC1=CNC2=CC(=CC=C12)Br CNP0201015.0 [0,1,0,0,1,0|2,0,0]=4 289 B13R2.662 O=CC1=CNC2=CC(=CC=C12)Cl CNP0326067.0 [0,1,0,0,1,0|2,0,0]=4 290 B13R2.662 O=CC1=CNC2=CC(=CC=C12)O CNP0296176.0 [0,1,0,0,1,0|2,0,0]=4 291 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CNP0365392.0 [0,1,0,0,1,0|0,0,2]=4 292 B13R2.11642 CC1=CC(=C2C(=O)COC2=C1)O CNP0043045.0 [0,1,0,0,1,0|1,0,1]=4 293 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0184442.0 [0,2,0,0,0,0|0,0,0]=2 294 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)CC2 CNP0423453.0 [0,2,0,0,0,0|0,0,2]=4 295 B15R2.1754 COC1=CC2=CC=C(N=C2C=C1O)O CNP0575564.0 [0,2,0,0,0,0|1,0,1]=4 296 B15R2.1754 O=CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0301461.0 [0,2,0,0,0,0|0,0,1]=3 297 B15R2.2713 COC1=CC(=C2OC(=O)C=CC2=C1)O CNP0331080.0 [0,2,0,0,0,0|0,0,0]=2 298 B15R2.4778 COC1=CC=C2OC(=O)C=CC2=C1O CNP0390709.0 [0,2,0,0,0,0|0,0,0]=2 299 B15R2.4779 CC1(C=CC2=CC(=CC=C2O1)CO)C CNP0288244.0 [0,2,0,0,0,0|1,0,1]=4 300 B15R2.4779 COC1=CC=C2OC(C=CC2=C1)(C)C CNP0304280.0 [0,2,0,0,0,0|1,0,1]=4 301 B15R2.4779 COC1=CC=C2OC(C=CC2=C1)(O)O CNP0183772.0 [0,2,0,0,0,0|0,0,2]=4 302 B15R2.4780 COC1=CC=C2C=C(C=CC2=C1)C=O CNP0183136.0 [0,2,0,0,0,0|1,0,0]=3 303 B15R2.4780 COC1=CC=C2C=C(C=CC2=C1)OC CNP0058048.0 [0,2,0,0,0,0|1,0,1]=4 304 B15R2.7180 O=C(O)C1=CC=C2C=C(C=CC2=C1)O CNP0088266.0 [0,2,0,0,0,0|2,0,0]=4 305 B15R2.7180 O=C1C=CC2=CC(=CC=C2O1)[N+](=O)[O-] CNP0577378.0 [0,2,0,0,0,0|1,0,0]=3 306 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C2=C1)C CNP0207378.0 [0,2,0,0,0,0|1,0,0]=3 307 B15R2.21329 COC1=CC=C2CC(=O)NC(=O)C2=C1 CNP0187808.0 [0,2,0,0,0,0|2,0,0]=4 308 B15R2.21329 COC1=CC=C2N=C(C=C(C2=C1)N)C CNP0362714.0 [0,2,0,0,0,0|2,0,0]=4 309 B15R2.21329 COC1=CC=C2OC(=O)C=C(C2=C1)C CNP0315744.0 [0,2,0,0,0,0|0,0,0]=2 310 B15R2.21329 COC1=CC=C2OC(=O)C=C(C2=C1)O CNP0453043.0 [0,2,0,0,0,0|0,0,0]=2 311 B15R2.21336 C=C1OC2=CC(=CC=C2OC1=O)OC CNP0394244.0 [0,2,0,0,0,0|1,0,0]=3 312 B15R2.50042 CC1=CC=C2OC(C=CC2=C1O)(C)C CNP0178828.0 [0,2,0,0,0,0|1,0,1]=4 313 B15R2.1007 CC1=C(C2=CC(=CC=C2OC1=O)O)C CNP0386451.0 [0,2,0,0,0,0|1,0,0]=3 314 B15R2.1007 CC1=CC=C2OC(=O)C(=C(C2=C1)O)C CNP0161217.0 [0,2,0,0,0,0|0,0,0]=2 315 B15R2.1007 O=C1C=CC2=CC(=C(C(=C2O1)O)O)O CNP0203987.0 [0,2,0,0,0,0|1,0,0]=3 316 B15R2.13972 CC1=CC(=O)C2=C(C(=CC=C2O1)C)O CNP0515948.0 [0,2,0,0,0,0|1,0,0]=3 317 B15R2.13972 CC1=CC(=O)C2=C(C(=CC=C2O1)O)O CNP0225112.0 [0,2,0,0,0,0|2,0,0]=4 318 B15R2.13972 CC1=CC=C2OC(=O)C=C(C2=C1O)O CNP0513383.0 [0,2,0,0,0,0|0,0,0]=2 319 B15R2.59732 CC1=CC(=C2N=C(C=C(C2=C1)O)C)C CNP0369892.0 [0,2,0,0,0,0|2,0,0]=4 320 B15R2.59732 CC1=CC(=C2NC(=O)C=C(C2=C1)C)C CNP0009449.0 [0,2,0,0,0,0|1,0,0]=3 321 B15R2.59732 O=C1C=C(C2=CC(=CC(=C2O1)Cl)Cl)O CNP0062084.0 [0,2,0,0,0,0|1,0,0]=3 322 B15R2.59733 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)O CNP0045251.0 [0,2,0,0,0,0|1,0,0]=3 323 B15R2.59733 CC1=CC(=O)OC2=CC(=C(C=C12)O)O CNP0157848.0 [0,2,0,0,0,0|1,0,0]=3 324 B15R2.59733 CC1=CC2=C(C=C1C)C(=CC(=O)O2)O CNP0349990.0 [0,2,0,0,0,0|0,0,0]=2 325 B15R2.59733 O=C1C=C(C2=CC(=C(C=C2N1)Br)Br)O CNP0385339.0 [0,2,0,0,0,0|2,0,0]=4 326 B15R2.59733 O=C1C=C(C2=CC(=C(C=C2O1)O)O)O CNP0586948.0 [0,2,0,0,0,0|1,0,0]=3 327 B15R2.63814 CC1=CC(=O)C2=CC(=CC=C2C1=O)O CNP0535948.0 [0,2,0,0,0,0|1,0,1]=4 328 B15R2.89950 CC1=CC=C2OC(=O)C=C(C2=C1)CCl CNP0281015.0 [0,2,0,0,0,0|0,0,0]=2 329 B15R2.89950 CC1=CC=C2OC(=O)C=C(C2=C1)CN CNP0443766.0 [0,2,0,0,0,0|0,0,0]=2 330 B15R2.89950 O=C1C=C(C2=CC(=CC=C2O1)Cl)CCl CNP0050175.0 [0,2,0,0,0,0|1,0,0]=3 331 B15R2.89950 O=C1C=C(C2=CC(=CC=C2O1)O)CCl CNP0061561.0 [0,2,0,0,0,0|1,0,0]=3 332 B15R2.1824 COC1=CC2=C(C=CC(=O)O2)C=C1C CNP0321187.0 [0,2,0,0,0,0|0,0,0]=2 333 B15R2.1824 COC1=CC2=C(C=CC(=O)O2)C=C1O CNP0262443.0 [0,2,0,0,0,0|1,0,0]=3 334 B15R2.62227 CC1=C(C=C2C=C(C(=CC2=C1)C)C)C CNP0193252.0 [0,2,0,0,0,0|2,0,0]=4 335 B15R2.62227 NC1=CC2=CC(=C(C=C2OC1=O)O)O CNP0138714.0 [0,2,0,0,0,0|1,0,0]=3 336 B15R2.62227 O=C1OC2=CC(=C(C=C2C=C1O)O)O CNP0352471.0 [0,2,0,0,0,0|1,0,0]=3 337 B15R2.63893 O=C1C=CC2=C(C(=C(C=C2O1)O)O)O CNP0247493.0 [0,2,0,0,0,0|1,0,0]=3 338 B13R2.371 CC1=CC=C(C2=CC=CC=C12)C CNP0273844.0 [0,0,1,1,0,0|2,0,0]=4 339 B13R2.371 CC1=CC=C(C2=NC=CC=C12)C CNP0241527.0 [0,0,1,1,0,0|2,0,0]=4 340 B13R2.371 OC1=CC=C(C2=CC=CC=C12)O CNP0330153.0 [0,0,1,1,0,0|2,0,0]=4 341 B13R2.5151 CC1=CC=C(C2=C1C(=O)CC2)O CNP0198660.0 [0,0,1,1,0,0|0,0,2]=4 342 B13R2.342 CC1=CC=CC2=C(C=CC=C12)C CNP0320342.0 [0,0,1,1,0,0|2,0,0]=4 343 B13R2.342 O=C1NC=CC2=C(C=CC=C12)O CNP0350172.0 [0,0,1,1,0,0|2,0,0]=4 344 B13R2.4849 O=C1C=CC2=CC(=O)C=CC=C12 CNP0398518.0 [0,0,1,1,0,0|2,0,0]=4 345 B13R3.28 C1=CC=C2C3=C(C3)C=CC2=C1 CNP0606380.0 [1,0,0,1,0,0|1,0,0]=3 346 B13R3.28 C1=CC=C2C3=C(O3)C=CC2=C1 CNP0085849.0 [1,0,0,1,0,0|1,0,1]=4 347 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,0,1,0,1,0|2,0,0]=4 348 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,0,1,0,1,0|1,0,1]=4 349 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,0,1,0,1,0|1,0,1]=4 350 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,0,1,0,1,0|2,0,0]=4 351 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,0,1,0,1,0|2,0,0]=4 352 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,0,1,0,1,0|2,0,0]=4 353 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,0,1,0,1,0|2,0,0]=4 354 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,0,1,0,1,0|2,0,0]=4 355 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,0,1,0,1,0|0,0,1]=3 356 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,0,1,0,1,0|1,0,1]=4 357 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,0,1,0,1,0|0,0,2]=4 358 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,0,1,0,1,0|1,0,1]=4 359 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,0,1,0,1,0|1,0,1]=4 360 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,0,1,0,1,0|1,0,1]=4 361 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,0,1,0,1,0|2,0,0]=4 362 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [1,0,0,0,1,0|2,0,0]=4 363 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [1,0,0,0,1,0|2,0,0]=4 364 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [1,0,0,0,1,0|1,0,0]=3 365 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [1,0,0,0,1,0|2,0,0]=4 366 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,0,1,0|1,0,1]=4 367 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,0,1,0|2,0,0]=4 368 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,0,1,0|2,0,0]=4 369 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,0,1,0|1,0,1]=4 370 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,0,1,0|1,0,1]=4 371 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [1,0,0,0,1,0|2,0,0]=4 372 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [1,0,0,0,1,0|2,0,0]=4 373 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,0,1,0|1,0,0]=3 374 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,0,1,0|0,0,2]=4 375 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,0,1,0|1,0,1]=4 376 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,0,1,0|1,0,1]=4 377 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,0,1,0|1,0,0]=3 378 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,0,1,0|1,0,1]=4 379 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,0,1,0|2,0,0]=4 380 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,0,1,0|1,0,1]=4 381 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,0,0,0,1,0|1,0,1]=4 382 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [1,0,0,0,1,0|2,0,0]=4 383 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [1,0,0,0,1,0|1,0,0]=3 384 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [1,0,0,0,1,0|1,1,0]=4 385 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [1,0,0,0,1,0|2,0,0]=4 386 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [1,0,0,0,1,0|2,0,0]=4 387 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [1,0,0,0,1,0|1,0,0]=3 388 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [1,0,0,0,1,0|1,0,0]=3 389 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [1,0,0,0,1,0|0,0,1]=3 390 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [1,0,0,0,1,0|1,0,1]=4 391 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [1,0,0,0,1,0|0,0,1]=3 392 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [1,0,0,0,1,0|1,0,0]=3 393 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [1,0,0,0,1,0|1,1,0]=4 394 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [1,0,0,0,1,0|1,0,1]=4 395 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [1,0,0,0,1,0|1,0,1]=4 396 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [1,0,0,0,1,0|2,0,0]=4 397 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [1,0,0,0,1,0|1,0,0]=3 398 B11R2.36 CC1=CC=C2C=CSC2=N1 CNP0293549.0 [1,0,0,0,1,0|2,0,0]=4 399 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [1,0,0,0,1,0|2,0,0]=4 400 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [1,0,0,0,1,0|1,0,0]=3 401 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [1,0,0,0,1,0|1,1,0]=4 402 B11R2.36 CC1=CN2C=CC=C2C=N1 CNP0317798.0 [1,0,0,0,1,0|2,0,0]=4 403 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,0,0,0,1,0|2,0,0]=4 404 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [1,0,0,0,1,0|1,0,1]=4 405 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [1,0,0,0,1,0|2,0,0]=4 406 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,0,0,0,1,0|1,0,0]=3 407 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,0,0,0,2,0|1,0,0]=3 408 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,0,0,0,2,0|0,0,1]=3 409 B11R2.60 CC1=CC=C2C1=CC=C2S CNP0333804.0 [0,0,0,0,2,0|0,1,0]=3 410 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [1,0,0,0,0,1|1,0,0]=3 411 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [1,0,0,0,0,1|2,0,0]=4 412 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [1,0,0,0,0,1|0,0,2]=4