0 B13R1.464 CCCC(=O)C1=CC=CC=C1OC CNP0514775.0 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.464 CCOC(=O)C1=CC=CC=C1NC CNP0194191.0 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.464 CCOC(=O)C1=CC=CC=C1OC CNP0254680.0 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.464 COC1=CC=CC=C1C(=O)CC#N CNP0489245.0 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [1,0,0,0,0,0|0,0,0]=1 6 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [1,0,0,0,0,0|1,0,1]=3 9 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [1,0,0,0,0,0|0,0,0]=1 10 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [1,0,0,0,0,0|2,0,0]=3 15 B14R1.263 CCNC1=CC=CC=C1C(=O)OCC CNP0086210.0 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.263 CCOC(=O)C1=CC=CC=C1N=C=S CNP0246446.0 [0,1,0,0,0,0|0,0,2]=3 17 B14R1.623 CCOC(=O)C1=CC=CC=C1C(=O)O CNP0017360.0 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.939 COC1=CC=CC=C1C(=O)OCCCl CNP0036387.0 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.7276 CCCC(=O)C1=C(C=CC=C1OC)O CNP0108905.0 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.7276 CCOC(=O)C1=C(C=CC=C1OC)C CNP0371666.0 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.510 CN1C=C(C2=CC=CC=C12)CCN CNP0237873.0 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.7150 CCOC1=NC=NC2=CC=CC=C12 CNP0212774.0 [0,0,0,1,0,0|1,0,2]=4 23 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2N1C CNP0288264.0 [0,0,0,1,0,0|1,0,1]=3 24 B14R2.7724 CC1=NC(=O)C2=CC=CC=C2N1C CNP0366049.0 [0,0,0,1,0,0|1,0,1]=3 25 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 CNP0209784.0 [0,0,0,1,0,0|2,0,1]=4 26 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C12 CNP0246233.0 [0,0,0,1,0,0|2,0,1]=4 27 B14R2.7724 C[C@H]1CC(=O)C2=CC=CC=C2[C@@H]1O CNP0276278.1 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.11691 COC1=CC=CC2=C1C(=O)O[C@@H]2O CNP0087021.1 [0,0,0,1,0,0|2,0,0]=3 29 B14R2.11691 COC1=CC=CC2=C1C(=O)O[C@H]2O CNP0087021.2 [0,0,0,1,0,0|2,0,0]=3 30 B11R0.3 CC=CC=CC=CC=CCCC CNP0251289.0 [1,0,1,0,0,0|2,0,0]=4 31 B11R0.3 CCC=CC=CC=CC=CCC CNP0278051.0 [1,0,1,0,0,0|2,0,0]=4 32 B11R0.4 CC=CC=CC=CC(=O)OCC CNP0412321.0 [1,0,1,0,0,0|0,0,0]=2 33 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [2,0,0,0,0,0|0,0,0]=2 39 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [2,0,0,0,0,0|0,0,0]=2 50 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [2,0,0,0,0,0|0,0,2]=4 59 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [2,0,0,0,0,0|1,1,0]=4 61 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [2,0,0,0,0,0|0,0,0]=2 62 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [2,0,0,0,0,0|1,0,1]=4 65 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [2,0,0,0,0,0|2,0,0]=4 67 B13R0.2 CCC=CCC=CC=CC(=O)OCC CNP0018471.0 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.107 COC(=O)C1=CC=CC(=C1C=O)O CNP0356488.0 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.107 COC(=O)C1=CC=CC(=C1OC)O CNP0266498.0 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.382 COC(=O)C1=CC=CC=C1NC=O CNP0282276.0 [1,1,0,0,0,0|0,0,1]=3 71 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)C CNP0490914.0 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)O CNP0084158.0 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C CNP0003237.0 [1,1,0,0,0,0|0,0,0]=2 74 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)O CNP0161854.0 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)O CNP0612004.0 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2209 COC(=O)C1=C[N+](=CC=C1OC)[O-] CNP0593577.0 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.2357 COC(=O)C1=C(C=CC=C1C=O)O CNP0108141.0 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.2357 COC(=O)C1=C(C=CC=C1OC)O CNP0262782.0 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.12 NCCC(=O)C1=CC=CC(=C1N)O CNP0062807.0 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.446 CC=CC(=O)C1=CC(=CC=C1C)C CNP0598613.0 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br CNP0606333.0 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)O CNP0176589.0 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.446 NCCC(=O)C1=CC(=CC=C1N)O CNP0370698.0 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N CNP0100004.0 [1,1,0,0,0,0|0,0,1]=3 85 B13R1.674 CCCCC(=O)C1=CC=CC=C1O CNP0481328.0 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.674 CCCOC(=O)C1=CC=CC=C1O CNP0611678.0 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.674 O=C(OCCO)C1=CC=CC=C1O CNP0172292.0 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.1511 CCOC(=O)C1=CC=C(C=C1O)O CNP0403954.0 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.1511 NCCC(=O)C1=CC=C(C=C1N)Br CNP0432173.0 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1C CNP0457888.0 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.4453 CC=CC(=O)C1=C(C=CC=C1C)C CNP0250668.0 [1,1,0,0,0,0|1,0,1]=4 92 B13R1.4453 CCCC(=O)C1=C(C=CC=C1O)O CNP0152707.0 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.4453 CCOC(=O)C1=C(C=CC=C1O)C CNP0116215.0 [1,1,0,0,0,0|0,0,0]=2 94 B15R1.5925 CCCCC(=O)NC1=CC=CC=C1OC CNP0567400.0 [0,1,0,0,0,1|2,0,0]=4 95 B15R1.810 CCOC(=O)C1=CC=CC=C1NC(=O)C CNP0070954.0 [0,2,0,0,0,0|0,0,0]=2 96 B15R1.843 CCO[P@H](=O)C1=CC=CC=C1OCOC CNP0472971.1 [0,2,0,0,0,0|2,0,0]=4 97 B15R1.1239 O=C(O)C1=CC=CC=C1C(=O)OCCBr CNP0468524.0 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.1239 O=C(O)C1=CC=CC=C1C(=O)OCCCl CNP0476616.0 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.1239 O=C(O)C1=CC=CC=C1C(=O)OCCO CNP0459139.0 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.5509 CC(C)OC(=O)C1=CC=CC=C1C(=O)O CNP0081928.0 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.86 CNC1=CC=CC=C1C(=O)OCC(C)C CNP0185808.0 [0,2,0,0,0,0|0,0,0]=2 102 B15R1.36563 CCCC(=O)C1=C(C=C(C=C1OC)O)O CNP0325841.0 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.36563 CCOC(=O)C1=C(C=C(C=C1CC)O)O CNP0220302.0 [0,2,0,0,0,0|1,0,0]=3 104 B15R1.10623 CCOC(=O)C1=C(C=CC=C1OC)C=O CNP0204293.0 [0,2,0,0,0,0|1,0,0]=3 105 B15R1.10623 CCOC(=O)C1=C(C=CC=C1OC)OC CNP0317589.0 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,0,1,1,0,0|1,0,1]=4 107 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 CNP0296538.0 [1,0,0,1,0,0|0,0,2]=4 108 B13R2.371 CN1C=NC(=O)C2=CC=CC=C12 CNP0162462.0 [1,0,0,1,0,0|1,0,1]=4 109 B13R2.371 CN1CCC(=N)C2=CC=CC=C12 CNP0559627.0 [1,0,0,1,0,0|1,0,0]=3 110 B13R2.371 O=C1CCC(=O)C2=CC=CC=C12 CNP0436754.0 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.2931 CN1C=C(C2=CC=CC=C12)CN CNP0282705.0 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [1,0,0,1,0,0|2,0,0]=4 116 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [1,0,0,1,0,0|1,0,1]=4 117 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [1,0,0,1,0,0|0,0,2]=4 118 B13R2.328 CC1=NC(=O)C2=CC=CC=C2N1 CNP0502720.0 [1,0,0,1,0,0|1,0,1]=4 119 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [1,0,0,1,0,0|0,0,2]=4 120 B13R2.328 C[C@H]1CC(=O)C2=CC=CC=C2O1 CNP0503770.1 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.328 C[C@H]1CC2=CC=CC=C2C(=O)O1 CNP0277151.1 [1,0,0,1,0,0|0,0,0]=2 122 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [1,0,0,1,0,0|1,0,1]=4 123 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [1,0,0,1,0,0|1,0,1]=4 124 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O CNP0034587.0 [1,0,0,1,0,0|1,0,1]=4 125 B13R2.4857 CC1=CC=CC2=C1C(=O)O[C@@H]2O CNP0048978.2 [1,0,0,1,0,0|1,0,0]=3 126 B13R2.4857 CC1=CC=CC2=C1C(=O)O[C@H]2O CNP0048978.1 [1,0,0,1,0,0|1,0,0]=3 127 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C12 CNP0312846.0 [0,0,0,1,0,1|0,0,1]=3 128 B15R2.19973 CCC1=CC(=O)C2=CC=CC=C2N1C CNP0126462.0 [0,1,0,1,0,0|1,0,0]=3 129 B15R2.19973 CCC1=NC(=O)C2=CC=CC=C2N1C CNP0298408.0 [0,1,0,1,0,0|1,0,0]=3 130 B15R2.19973 COC1=CN(C2=CC=CC=C2C1=O)C CNP0353691.0 [0,1,0,1,0,0|2,0,0]=4 131 B15R2.19973 CO[C@@H]1CN(C2=CC=CC=C2C1=O)C CNP0163061.1 [0,1,0,1,0,0|2,0,0]=4 132 B15R2.19973 CO[C@H]1CN(C2=CC=CC=C2C1=O)C CNP0163061.2 [0,1,0,1,0,0|2,0,0]=4 133 B15R2.13167 C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O CNP0034203.2 [0,1,0,1,0,0|1,0,1]=4 134 B15R2.13167 C[C@H]1NC(=O)C2=CC=CC=C2NC1=O CNP0034203.1 [0,1,0,1,0,0|1,0,1]=4 135 B15R2.86986 COC1=CC=CC2=C1C(=O)C[C@@H](O2)C CNP0242247.2 [0,1,0,1,0,0|2,0,0]=4 136 B15R2.86986 COC1=CC=CC2=C1C(=O)C[C@H](O2)C CNP0242247.1 [0,1,0,1,0,0|2,0,0]=4 137 B15R2.86986 COC1=CC=CC2=C1C(=O)O[C@@H](C2)C CNP0108699.2 [0,1,0,1,0,0|1,0,0]=3 138 B15R2.86986 COC1=CC=CC2=C1C(=O)O[C@H](C2)C CNP0108699.1 [0,1,0,1,0,0|1,0,0]=3 139 B15R2.1428 CNCCC1=CN(C2=CC=CC=C12)C CNP0120602.0 [0,1,0,1,0,0|2,0,0]=4 140 B15R2.20944 COC1=CC=CC2=C1C(=O)CC[C@@H]2O CNP0277744.1 [0,1,0,1,0,0|2,0,0]=4 141 B15R2.13626 CC1=C(C2=CC=CC(=C2C(=O)O1)O)C CNP0200675.0 [0,1,0,1,0,0|1,0,1]=4 142 B15R2.13626 C[C@@H]1OC(=O)C2=C(C=CC=C2[C@@H]1O)O CNP0244185.2 [0,1,0,1,0,0|2,0,0]=4 143 B15R2.13626 C[C@@H]1OC(=O)C2=C(C=CC=C2[C@H]1O)O CNP0244185.1 [0,1,0,1,0,0|2,0,0]=4 144 B15R2.13626 C[C@H]1OC(=O)C2=C(C=CC=C2C1O)O CNP0244185.5 [0,1,0,1,0,0|2,0,0]=4 145 B15R2.13626 C[C@H]1OC(=O)C2=C(C=CC=C2[C@@H]1O)O CNP0244185.3 [0,1,0,1,0,0|2,0,0]=4 146 B15R2.13626 C[C@H]1OC(=O)C2=C(C=CC=C2[C@H]1O)O CNP0244185.4 [0,1,0,1,0,0|2,0,0]=4 147 B15R1.768 CCOC(=O)C=CC1=CC=CC=C1OC CNP0267158.0 [0,0,0,0,0,2|1,0,0]=3