0 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)C CNP0490914.0 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)O CNP0084158.0 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C CNP0003237.0 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.547 COC(=O)C1=CC=CN=C1C(=O)O CNP0147962.0 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.547 COC(=O)C1=NC=CC=C1C(=O)O CNP0194907.0 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O CNP0538877.0 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CNP0438693.0 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.261 CC(C)C1=CC=CC=C1C(C)C CNP0229291.0 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O CNP0033044.0 [1,0,0,0,0,0|0,0,0]=1 13 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O CNP0324589.0 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.261 [18O]=C([18OH])C1=CC=CC=C1C(=[18O])[18OH] CNP0530779.0 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.623 CCOC(=O)C1=CC=CC=C1C(=O)O CNP0017360.0 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.746 CCC(=O)C1=CC=CC=C1C(=O)OC CNP0480113.0 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.746 CNC(=O)C1=CC=CC=C1C(=O)OC CNP0129994.0 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.746 COC(=O)C1=CC=CC=C1C(=O)OC CNP0145942.0 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC CNP0297095.0 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.1131 CCN1CCN(C2=CC=CC=C12)C CNP0266024.0 [0,0,0,1,0,0|3,0,0]=4 21 B14R2.1131 COC1=CC=[N+](C2=CC=CC=C12)C CNP0492868.0 [0,0,0,1,0,0|1,0,2]=4 22 B14R2.1131 CO[C@@H]1C=CN(C2=CC=CC=C12)C CNP0321353.1 [0,0,0,1,0,0|1,0,2]=4 23 B14R2.1131 C[O+]=C1C=CN(C2=CC=CC=C12)C CNP0483118.0 [0,0,0,1,0,0|1,0,2]=4 24 B14R2.34648 COC(=O)C1=CC=CC2=C1C(=O)C2 CNP0032570.0 [0,0,0,1,0,0|2,0,0]=3 25 B14R1.744 COC(=O)C1=CC=CC=C1NC(=O)C CNP0302125.0 [0,0,0,0,0,1|2,0,0]=3 26 B14R1.744 COC(=O)C1=CC=CC=C1NC(=O)N CNP0187156.0 [0,0,0,0,0,1|3,0,0]=4 27 B14R1.744 COC(=O)C1=CC=CC=C1OC(=O)C CNP0300463.0 [0,0,0,0,0,1|2,0,0]=3 28 B14R1.3302 COC(=O)CC1=CC=CC=C1[N+](=O)[O-] CNP0570940.0 [0,0,0,0,0,1|2,0,1]=4 29 B14R1.3302 COC(=O)OC1=CC=CC=C1C(=O)O CNP0449711.0 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.53 CC(C)C1=CC=CC=C1C=O CNP0492852.0 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [2,0,0,0,0,0|0,0,1]=3 34 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [2,0,0,0,0,0|0,0,0]=2 36 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [2,0,0,0,0,0|0,0,0]=2 39 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [2,0,0,0,0,0|0,0,0]=2 51 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.107 COC(=O)C1=CC=CC(=C1C=O)O CNP0356488.0 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.107 COC(=O)C1=CC=CC(=C1OC)O CNP0266498.0 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.382 COC(=O)C1=CC=CC=C1NC=O CNP0282276.0 [1,1,0,0,0,0|0,0,1]=3 58 B13R1.464 CCCC(=O)C1=CC=CC=C1OC CNP0514775.0 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.464 CCOC(=O)C1=CC=CC=C1NC CNP0194191.0 [1,1,0,0,0,0|0,0,0]=2 60 B13R1.464 CCOC(=O)C1=CC=CC=C1OC CNP0254680.0 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)O CNP0161854.0 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)O CNP0612004.0 [1,1,0,0,0,0|1,0,0]=3 63 B13R1.2209 COC(=O)C1=C[N+](=CC=C1OC)[O-] CNP0593577.0 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.2357 COC(=O)C1=C(C=CC=C1C=O)O CNP0108141.0 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.2357 COC(=O)C1=C(C=CC=C1OC)O CNP0262782.0 [1,1,0,0,0,0|1,0,0]=3 66 B15R1.810 CCOC(=O)C1=CC=CC=C1NC(=O)C CNP0070954.0 [0,1,0,0,0,1|2,0,0]=4 67 B15R1.38521 COC(=O)C1=CC=C(C=C1C(=O)OC)O CNP0200771.0 [0,2,0,0,0,0|2,0,0]=4 68 B15R1.38509 COC(=O)C1=CC=CC(=C1C(=O)OC)O CNP0222985.0 [0,2,0,0,0,0|2,0,0]=4 69 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 CNP0296538.0 [1,0,0,1,0,0|1,0,1]=4 70 B13R2.371 CN1C=NC(=O)C2=CC=CC=C12 CNP0162462.0 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.371 CN1CCC(=N)C2=CC=CC=C12 CNP0559627.0 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [1,0,0,1,0,0|1,0,0]=3 76 B13R2.12159 CC1(OC(=O)C2=CC=CC=C12)C CNP0053854.0 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.12973 O=C(O)C1=CC=CC2=C1C(=O)C2 CNP0458917.0 [1,0,0,1,0,0|2,0,0]=4 78 B15R2.19309 COC(=O)C1=CC=CC2=C1O[C@@H](C2)C CNP0141376.1 [0,0,0,1,0,1|1,0,0]=3 79 B15R2.136347 CN1C(=O)C2=CC=CC=C2CC1(C)C CNP0024852.0 [0,0,0,1,0,1|2,0,0]=4 80 B15R2.23388 COC(=O)C1=CN(C2=CC=CC=C12)C CNP0425826.0 [0,0,0,1,0,1|0,0,1]=3 81 B15R2.23388 COC(=O)[C@@H]1CC(=O)C2=CC=CC=C12 CNP0069380.1 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.23388 COC(=O)[C@H]1CC(=O)C2=CC=CC=C12 CNP0069380.2 [0,0,0,1,0,1|2,0,0]=4 83 B15R2.19973 COC1=C(C2=CC=CC=C2N(C1)C)O CNP0331676.0 [0,1,0,1,0,0|0,0,1]=3 84 B15R2.19973 COC1=CN(C2=CC=CC=C2C1=O)C CNP0353691.0 [0,1,0,1,0,0|0,0,1]=3 85 B15R2.19973 CO[C@@H]1CN(C2=CC=CC=C2C1=O)C CNP0163061.1 [0,1,0,1,0,0|0,0,0]=2 86 B15R2.19973 CO[C@H]1CN(C2=CC=CC=C2C1=O)C CNP0163061.2 [0,1,0,1,0,0|0,0,0]=2 87 B15R2.9032 CN1C(=O)C2=CC=CC=C2N(C1=O)C CNP0102547.0 [0,1,0,1,0,0|1,0,1]=4 88 B15R2.21211 COC1=CC(=O)N(C2=CC=CC=C12)C CNP0413350.0 [0,1,0,1,0,0|1,0,1]=4 89 B15R2.21211 COC1=C[C@H](N(C2=CC=CC=C12)C)O CNP0153643.1 [0,1,0,1,0,0|1,0,0]=3 90 B13R1.91 CCC(=O)OC1=CC=CC=C1OC CNP0597322.0 [1,0,0,0,0,1|2,0,0]=4 91 B13R1.91 COC(=O)CC1=CC=CC=C1OC CNP0499525.0 [1,0,0,0,0,1|1,0,0]=3 92 B15R1.985 COC(=O)C1=CC=CC=C1CCC(=O)C CNP0566353.0 [0,0,0,0,0,2|2,0,0]=4 93 B15R1.3845 CNC(=O)OC1=CC=CC=C1OC(C)C CNP0410468.0 [0,0,0,0,0,2|2,0,0]=4