0 B13R1.3 C=CC1=CC=C(C=C1)COC(=O)C CNP0018344.0 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.3 CC(=O)COC1=CC=C(C=C1)CN CNP0384005.0 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,0,0,0,0,0|1,0,2]=3 6 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,0,0,0,0,0|0,0,2]=2 7 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)N CNP0497592.0 [0,0,0,0,0,0|1,0,2]=3 8 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,0,0,0,0,0|1,0,2]=3 9 B13R1.3 COC1=CC=C(C=C1)C=C[N+](=O)[O-] CNP0600697.0 [0,0,0,0,0,0|2,0,2]=4 10 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,0,0,0,0,0|0,0,0]=0 11 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,0,0,0,0,0|1,0,0]=1 12 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,0,0,0,0,0|1,0,0]=1 13 B13R1.3 COC1=CC=C(C=C1)CCN(C)C CNP0223802.0 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,0,0,0,0,0|0,0,2]=2 15 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,0,0,0,0,0|1,0,0]=1 17 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,0,0,0,0,0|1,0,0]=1 18 B13R1.3 COC1=CC=C(C=C1)N=NC(=O)N CNP0184303.0 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.3 COC1=CC=C(C=C1)NNC(=S)N CNP0047522.0 [0,0,0,0,0,0|3,1,0]=4 20 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,0,0,0,0,0|2,0,0]=2 21 B13R1.3 CSC1=CC=C(C=C1)C=CC(=O)O CNP0602100.0 [0,0,0,0,0,0|1,1,2]=4 22 B13R1.3 NC(=O)COC1=CC=C(C=C1)C=O CNP0566426.0 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,0,0,0,0,0|0,0,2]=3 24 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,0,0,0,0,0|0,0,0]=1 25 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,0,0,0,0,0|0,0,0]=1 26 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [1,0,0,0,0,0|1,0,1]=3 29 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,0,0,0,0,0|1,0,2]=4 30 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [1,0,0,0,0,0|0,0,2]=3 33 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [1,0,0,0,0,0|0,0,2]=3 34 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [1,0,0,0,0,0|1,0,2]=4 35 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [1,0,0,0,0,0|1,0,0]=2 36 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,0,0,0,0,0|1,0,2]=4 40 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [1,0,0,0,0,0|0,0,3]=4 48 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [1,0,0,0,0,0|1,0,0]=2 49 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [1,0,0,0,0,0|0,0,2]=3 50 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [1,0,0,0,0,0|1,0,1]=3 51 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [1,0,0,0,0,0|1,1,1]=4 52 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [1,0,0,0,0,0|1,0,0]=2 53 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [1,0,0,0,0,0|1,1,1]=4 54 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [1,0,0,0,0,0|1,0,2]=4 55 B14R1.2 COC1=CC=C(C=C1)C(=CC(=O)C)C CNP0140151.0 [0,1,0,0,0,0|0,0,2]=3 56 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C CNP0186353.0 [0,1,0,0,0,0|0,0,1]=2 57 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)O CNP0335874.0 [0,1,0,0,0,0|1,0,1]=3 58 B14R1.2 COC1=CC=C(C=C1)[C@@H](N)CC(=O)O CNP0244772.1 [0,1,0,0,0,0|1,0,0]=2 59 B14R1.2 COC1=CC=C(C=C1)[C@H](C)OC(=O)C CNP0153603.1 [0,1,0,0,0,0|1,0,0]=2 60 B14R1.2 COC1=CC=C(C=C1)[C@H](N)CC(=O)O CNP0244772.2 [0,1,0,0,0,0|1,0,0]=2 61 B14R1.2 COC1=CC=C(C=C1)[N+](=NC(=O)N)[O-] CNP0563370.0 [0,1,0,0,0,0|3,0,0]=4 62 B14R1.2 CSC1=CC=C(C=C1)[C@@H](N)CC(=O)O CNP0396756.2 [0,1,0,0,0,0|1,1,0]=3 63 B14R1.2 CSC1=CC=C(C=C1)[C@H](N)CC(=O)O CNP0396756.1 [0,1,0,0,0,0|1,1,0]=3 64 B14R1.3 COC1=CC=C(C=C1)C=C(C)C(=O)O CNP0224859.0 [0,1,0,0,0,0|1,0,2]=4 65 B14R1.3 COC1=CC=C(C=C1)C=C(S)C(=O)O CNP0586939.0 [0,1,0,0,0,0|1,0,2]=4 66 B14R1.3 COC1=CC=C(C=C1)CC(=O)C(=O)O CNP0018016.0 [0,1,0,0,0,0|1,0,1]=3 67 B14R1.3 COC1=CC=C(C=C1)CC(=S)C(=O)O CNP0443715.0 [0,1,0,0,0,0|1,0,1]=3 68 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0402588.2 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)N CNP0201099.1 [0,1,0,0,0,0|1,0,0]=2 70 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)O CNP0320715.1 [0,1,0,0,0,0|1,0,0]=2 71 B14R1.3 COC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0402588.1 [0,1,0,0,0,0|1,0,0]=2 72 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)C CNP0062043.0 [0,1,0,0,0,0|1,0,1]=3 73 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)C CNP0241632.0 [0,1,0,0,0,0|1,0,1]=3 74 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O CNP0050337.0 [0,1,0,0,0,0|2,0,0]=3 75 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O CNP0304718.1 [0,1,0,0,0,0|3,0,0]=4 76 B14R1.5 CCC(=O)C=CC1=CC=C(C=C1)OC CNP0191076.0 [0,1,0,0,0,0|0,0,2]=3 77 B14R1.5 CCC(=O)OCC1=CC=C(C=C1)OC CNP0085659.0 [0,1,0,0,0,0|1,0,0]=2 78 B14R1.5 COC(=NCC1=CC=C(C=C1)OC)S CNP0609364.0 [0,1,0,0,0,0|1,1,0]=3 79 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)OC CNP0135555.0 [0,1,0,0,0,0|0,0,2]=3 80 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)SC CNP0506631.0 [0,1,0,0,0,0|0,1,2]=4 81 B14R1.5 COC(=O)CCC1=CC=C(C=C1)OC CNP0273183.0 [0,1,0,0,0,0|0,0,0]=1 82 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O CNP0480251.0 [0,1,0,0,0,0|3,0,0]=4 83 B14R1.5 COC(=O)COC1=CC=C(C=C1)OC CNP0482350.0 [0,1,0,0,0,0|1,0,0]=2 84 B14R1.5 COC(=S)NCC1=CC=C(C=C1)OC CNP0378334.0 [0,1,0,0,0,0|1,1,0]=3 85 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)NN CNP0513524.0 [0,1,0,0,0,0|1,0,2]=4 86 B14R1.5 COC1=CC=C(C=C1)OC[C@@H](O)CN CNP0279337.1 [0,1,0,0,0,0|1,0,2]=4 87 B14R1.5 COC1=CC=C(C=C1)OC[C@H](O)CN CNP0279337.2 [0,1,0,0,0,0|1,0,2]=4 88 B14R1.103 COC1=CC=C(C(=C1)C)C=CC(=O)O CNP0609868.0 [0,1,0,0,0,0|1,0,2]=4 89 B14R1.103 COC1=CC=C(C(=C1)O)C=CC(=O)O CNP0228359.0 [0,1,0,0,0,0|1,0,2]=4 90 B14R1.103 COC1=CC=C(C(=C1)O)CCC(=O)O CNP0271285.0 [0,1,0,0,0,0|1,0,0]=2 91 B14R1.142 CCOC1=CC=C(C=C1)C=CC(=O)O CNP0115476.0 [0,1,0,0,0,0|1,0,2]=4 92 B14R1.419 CC(=O)C=CC1=CC=C(C=C1)N(C)C CNP0591718.0 [0,1,0,0,0,0|1,0,2]=4 93 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(C)C CNP0282955.0 [0,1,0,0,0,0|2,0,0]=3 94 B14R1.419 CC(C)C1=CC=C(C=C1)OCC(=O)O CNP0331259.0 [0,1,0,0,0,0|3,0,0]=4 95 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)N CNP0436701.0 [0,1,0,0,0,0|1,0,2]=4 96 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)O CNP0283368.0 [0,1,0,0,0,0|1,0,2]=4 97 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)C CNP0128440.0 [0,1,0,0,0,0|0,0,0]=1 98 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CNP0304446.0 [0,1,0,0,0,0|1,0,0]=2 99 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 CNP0107419.0 [0,0,0,1,0,0|1,0,2]=4 100 B14R2.134 COC1=CC=C2C=NC(=CC2=C1)C CNP0292494.0 [0,0,0,1,0,0|2,0,1]=4 101 B14R2.134 COC1=CC=C2CCC(=O)OC2=C1 CNP0258889.0 [0,0,0,1,0,0|1,0,0]=2 102 B14R2.1295 COC1=CC=C2C[C@@H](C2=C1)C(=O)O CNP0443931.2 [0,0,0,1,0,0|1,0,0]=2 103 B14R2.1295 COC1=CC=C2C[C@H](C2=C1)C(=O)O CNP0443931.1 [0,0,0,1,0,0|1,0,0]=2 104 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,0,0,0,1,0|2,0,1]=4 105 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,0,0,0,1,0|2,0,1]=4 106 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N CNP0139066.0 [0,0,0,0,1,0|3,0,0]=4 107 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,0,0,0,1,0|3,0,0]=4 108 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,0,0,0,1,0|3,0,0]=4 109 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,0,0,0,1,0|3,0,0]=4 110 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,0,0,0,1,0|2,0,1]=4 111 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,0,0,0,1,0|2,0,0]=3 112 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,0,0,0,1,0|1,0,1]=3 113 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,0,0,0,1,0|0,0,0]=1 114 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,0,0,0,1,0|1,0,0]=2 115 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,0,0,0,1,0|1,0,0]=2 116 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,0,0,0,1,0|2,0,0]=3 117 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,0,0,0,1,0|1,0,1]=3 118 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,0,0,0,1,0|1,0,0]=2 119 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,0,0,0,1,0|2,1,0]=4 120 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,0,0,0,1,0|2,0,0]=3 121 B14R1.4 CCC1=CC=C(C=C1)OCC=C(C)C CNP0425095.0 [0,0,0,0,0,1|2,0,1]=4 122 B14R1.4 COC1=CC=C(C=C1)C=NNC(=O)N CNP0110166.0 [0,0,0,0,0,1|2,0,1]=4 123 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O CNP0292767.0 [0,0,0,0,0,1|1,0,0]=2 124 B14R1.4 COC1=CC=C(C=C1)CCNC(=O)C CNP0041220.0 [0,0,0,0,0,1|0,0,0]=1 125 B14R1.4 COC1=CC=C(C=C1)CCOC(=O)C CNP0162222.0 [0,0,0,0,0,1|0,0,0]=1 126 B14R1.4 COC1=CC=C(C=C1)CNCC(=O)O CNP0397830.0 [0,0,0,0,0,1|1,0,0]=2 127 B14R1.4 COC1=CC=C(C=C1)OC=CC(=O)O CNP0125475.0 [0,0,0,0,0,1|1,0,2]=4 128 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [2,0,0,0,0,0|0,0,1]=3 129 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [2,0,0,0,0,0|0,0,2]=4 130 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [2,0,0,0,0,0|0,0,1]=3 131 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [2,0,0,0,0,0|1,0,1]=4 132 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [2,0,0,0,0,0|0,0,1]=3 133 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [2,0,0,0,0,0|1,0,1]=4 134 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [2,0,0,0,0,0|1,0,1]=4 135 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [2,0,0,0,0,0|1,0,1]=4 136 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [2,0,0,0,0,0|1,0,0]=3 137 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [2,0,0,0,0,0|1,0,1]=4 138 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [2,0,0,0,0,0|0,0,2]=4 139 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [2,0,0,0,0,0|0,0,0]=2 140 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [2,0,0,0,0,0|0,0,2]=4 141 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [2,0,0,0,0,0|1,0,1]=4 142 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [2,0,0,0,0,0|0,0,2]=4 143 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [2,0,0,0,0,0|0,0,0]=2 144 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [2,0,0,0,0,0|1,0,0]=3 145 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [2,0,0,0,0,0|2,0,0]=4 146 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [2,0,0,0,0,0|1,0,1]=4 147 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [2,0,0,0,0,0|2,0,0]=4 148 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [2,0,0,0,0,0|0,0,2]=4 149 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [2,0,0,0,0,0|1,0,0]=3 150 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [2,0,0,0,0,0|2,0,0]=4 151 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [2,0,0,0,0,0|2,0,0]=4 152 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [2,0,0,0,0,0|1,0,0]=3 153 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [2,0,0,0,0,0|1,0,0]=3 154 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [2,0,0,0,0,0|2,0,0]=4 155 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [2,0,0,0,0,0|2,0,0]=4 156 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [2,0,0,0,0,0|2,0,0]=4 158 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [2,0,0,0,0,0|0,0,1]=3 159 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [2,0,0,0,0,0|0,0,1]=3 160 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [2,0,0,0,0,0|0,0,0]=2 161 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [2,0,0,0,0,0|1,0,0]=3 162 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [2,0,0,0,0,0|0,0,0]=2 163 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [2,0,0,0,0,0|1,0,0]=3 164 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [2,0,0,0,0,0|0,0,1]=3 165 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [2,0,0,0,0,0|1,0,0]=3 166 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [2,0,0,0,0,0|1,0,0]=3 167 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [1,1,0,0,0,0|1,0,0]=3 168 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [1,1,0,0,0,0|0,0,0]=2 169 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [1,1,0,0,0,0|0,0,2]=4 170 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [1,1,0,0,0,0|0,0,2]=4 171 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [1,1,0,0,0,0|0,0,0]=2 172 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [1,1,0,0,0,0|0,0,0]=2 173 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [1,1,0,0,0,0|0,0,0]=2 174 B13R1.132 CC(=O)N[C@@H](C)C1=CC=C(N=C1)C CNP0191708.1 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [1,1,0,0,0,0|1,0,0]=3 176 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [1,1,0,0,0,0|1,0,0]=3 177 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [1,1,0,0,0,0|1,0,0]=3 178 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [1,1,0,0,0,0|1,0,0]=3 179 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [1,1,0,0,0,0|1,0,0]=3 180 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [1,1,0,0,0,0|1,0,0]=3 181 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O CNP0180291.0 [1,1,0,0,0,0|1,0,1]=4 182 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [1,1,0,0,0,0|1,0,1]=4 183 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [1,1,0,0,0,0|1,0,1]=4 184 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [1,1,0,0,0,0|0,0,0]=2 185 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [1,1,0,0,0,0|0,0,0]=2 186 B13R1.133 CC(O)C(O)CC1=CC=C(C=C1)O CNP0367741.0 [1,1,0,0,0,0|0,0,2]=4 187 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [1,1,0,0,0,0|1,0,1]=4 188 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [1,1,0,0,0,0|2,0,0]=4 189 B13R1.133 C[C@H](O)[C@@H](O)CC1=CC=C(C=C1)O CNP0367741.2 [1,1,0,0,0,0|0,0,2]=4 190 B13R1.133 C[C@H](O)[C@H](O)CC1=CC=C(C=C1)O CNP0367741.1 [1,1,0,0,0,0|0,0,2]=4 191 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [1,1,0,0,0,0|1,0,1]=4 192 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [1,1,0,0,0,0|1,0,0]=3 193 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [1,1,0,0,0,0|2,0,0]=4 195 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [1,1,0,0,0,0|2,0,0]=4 196 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [1,1,0,0,0,0|2,0,0]=4 198 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [1,1,0,0,0,0|2,0,0]=4 199 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [1,1,0,0,0,0|1,0,0]=3 200 B13R1.133 N[C@@H](CC1=CC=C(C=N1)O)C(=O)O CNP0228825.1 [1,1,0,0,0,0|2,0,0]=4 201 B13R1.133 N[C@@H](CC1=CC=C(N=C1)O)C(=O)O CNP0202206.1 [1,1,0,0,0,0|2,0,0]=4 202 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [1,1,0,0,0,0|2,0,0]=4 203 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [1,1,0,0,0,0|2,0,0]=4 204 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [1,1,0,0,0,0|2,0,0]=4 205 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [1,1,0,0,0,0|1,0,0]=3 206 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [1,1,0,0,0,0|1,0,1]=4 207 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [1,1,0,0,0,0|1,0,0]=3 208 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [1,1,0,0,0,0|2,0,0]=4 209 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [1,1,0,0,0,0|1,0,0]=3 210 B13R1.164 CC(=CCC1=CC=C(C=C1O)O)C CNP0130850.0 [1,1,0,0,0,0|1,0,1]=4 211 B13R1.164 CC(C)CCC1=CC=C(C=C1O)O CNP0138668.0 [1,1,0,0,0,0|1,0,1]=4 212 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [1,1,0,0,0,0|1,0,0]=3 213 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [1,1,0,0,0,0|1,0,0]=3 214 B13R1.511 C=C1C=C(OC=C1O)COC(=O)C CNP0533206.0 [1,1,0,0,0,0|2,0,0]=4 215 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [1,1,0,0,0,0|0,0,2]=4 216 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [1,1,0,0,0,0|0,0,0]=2 217 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O CNP0215641.0 [1,1,0,0,0,0|2,0,0]=4 218 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O CNP0358976.0 [1,1,0,0,0,0|2,0,0]=4 219 B13R1.511 C[C@@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.1 [1,1,0,0,0,0|0,0,2]=4 220 B13R1.511 C[C@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.2 [1,1,0,0,0,0|0,0,2]=4 221 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [1,1,0,0,0,0|1,0,0]=3 222 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [1,1,0,0,0,0|1,0,0]=3 223 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O CNP0493144.0 [1,1,0,0,0,0|2,0,0]=4 224 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O CNP0561596.0 [1,1,0,0,0,0|2,0,0]=4 225 B13R1.512 C[N+](C)([O-])CCC1=CC=C(C=C1)O CNP0576942.0 [1,1,0,0,0,0|1,0,1]=4 226 B13R1.5 COC(=O)CC1=CC=C(C=C1)OC CNP0285139.0 [1,1,0,0,0,0|1,0,1]=4 227 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [1,1,0,0,0,0|0,0,2]=4 228 B13R1.74 CC(C)C1=CC=C(C=C1)CCC=O CNP0002936.0 [1,1,0,0,0,0|1,0,0]=3 229 B13R1.74 COCCC1=CC=C(C=C1)N(C)C CNP0225724.0 [1,1,0,0,0,0|2,0,0]=4 230 B13R1.75 COC1=CC=C(C(=C1)O)C=CC=O CNP0080622.0 [1,1,0,0,0,0|0,0,2]=4 231 B13R1.371 C=C=CCOC1=CC=C(C=C1)OC CNP0261200.0 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.371 CCCCCC1=CC=C(C=C1)OC CNP0505524.0 [1,1,0,0,0,0|0,0,1]=3 233 B13R1.371 COC1=CC=C(C=C1)C=CNC=O CNP0266035.0 [1,1,0,0,0,0|0,0,2]=4 234 B13R1.371 COCC=CC1=CC=C(C=C1)OC CNP0276419.0 [1,1,0,0,0,0|1,0,1]=4 235 B13R1.452 CNC[C@H](O)C1=CC=C(C=C1)OC CNP0170815.1 [1,1,0,0,0,0|1,0,0]=3 236 B13R1.577 CNCCC1=CC=C(C(=C1)O)OC CNP0506314.0 [1,1,0,0,0,0|1,0,0]=3 237 B13R1.577 COC1=CC=C(C=C1C)C=CC=O CNP0119255.0 [1,1,0,0,0,0|0,0,2]=4 238 B13R1.577 COC1=CC=C(C=C1O)C=CC=O CNP0158241.0 [1,1,0,0,0,0|0,0,2]=4 239 B13R1.577 COC1=CC=C(C=C1O)CCCO CNP0221328.0 [1,1,0,0,0,0|0,0,2]=4 240 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O CNP0165426.0 [0,1,0,0,1,0|1,0,0]=3 241 B13R1.35 COC1=CC=C(C=C1O)CC(=O)O CNP0071040.0 [0,1,0,0,1,0|1,0,0]=3 242 B13R1.36 CCC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0597821.2 [0,1,0,0,1,0|2,0,0]=4 243 B13R1.36 CCC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0597821.1 [0,1,0,0,1,0|2,0,0]=4 244 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)N CNP0144847.0 [0,1,0,0,1,0|1,0,1]=4 245 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)O CNP0281347.0 [0,1,0,0,1,0|1,0,1]=4 246 B13R1.36 COC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0249424.1 [0,1,0,0,1,0|1,0,0]=3 247 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0485785.2 [0,1,0,0,1,0|1,0,0]=3 248 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(C)C CNP0331599.2 [0,1,0,0,1,0|1,0,1]=4 249 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)C(=O)O CNP0292670.1 [0,1,0,0,1,0|1,0,0]=3 250 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@@H](C)O CNP0184598.4 [0,1,0,0,1,0|0,0,2]=4 251 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@H](C)O CNP0184598.2 [0,1,0,0,1,0|0,0,2]=4 252 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0485785.1 [0,1,0,0,1,0|1,0,0]=3 253 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(C)C CNP0331599.1 [0,1,0,0,1,0|1,0,1]=4 254 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@@H](C)O CNP0184598.1 [0,1,0,0,1,0|0,0,2]=4 255 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@H](C)O CNP0184598.3 [0,1,0,0,1,0|0,0,2]=4 256 B13R1.142 CC(=O)OC1=CC=C(C=C1)CCO CNP0287085.0 [0,1,0,0,1,0|2,0,0]=4 257 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O CNP0313669.0 [0,1,0,0,1,0|1,0,0]=3 258 B13R1.142 CCOC1=CC=C(C=C1)CC(C)N CNP0191059.0 [0,1,0,0,1,0|1,0,1]=4 259 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C CNP0330924.0 [0,1,0,0,1,0|1,0,0]=3 260 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C CNP0141125.0 [0,1,0,0,1,0|2,0,0]=4 261 B13R1.653 COC1=CC=C(C(=C1)O)CC(=O)O CNP0239375.0 [0,1,0,0,1,0|1,0,0]=3 262 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [0,1,0,0,1,0|0,0,2]=4 263 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,1,0,0,1,0|1,0,0]=3 264 B15R1.5 CCC1=CC=C(C=C1)C(=O)CCC(=O)O CNP0477875.0 [0,1,0,0,0,1|2,0,0]=4 265 B15R1.5 COC1=CC=C(C=C1)C(=O)CCC(=O)O CNP0567546.0 [0,1,0,0,0,1|1,0,0]=3 266 B15R1.5 COC1=CC=C(C=C1)C(=O)CCN(C)C CNP0519747.0 [0,1,0,0,0,1|2,0,0]=4 267 B15R1.5 COC1=CC=C(C=C1)C(=O)NCC(=O)O CNP0265292.0 [0,1,0,0,0,1|1,0,1]=4 268 B15R1.5 COC1=CC=C(C=C1)C(=O)OCC(=O)[O-] CNP0584466.0 [0,1,0,0,0,1|1,0,1]=4 269 B15R1.204 COC1=CC=C(C=C1)N=C(C)CC(=O)C CNP0505127.0 [0,1,0,0,0,1|0,0,1]=3 270 B15R1.204 COC1=CC=C(C=C1)NC(=CC(=O)C)C CNP0030324.0 [0,1,0,0,0,1|0,0,2]=4 271 B15R1.205 COC1=CC=C(C=C1)CNC(=O)C(=O)N CNP0547778.0 [0,1,0,0,0,1|1,0,1]=4 272 B15R1.206 COC(=O)C=CCC1=CC=C(C=C1)OC CNP0338380.0 [0,1,0,0,0,1|0,0,1]=3 273 B15R1.206 COC(=O)C=COC1=CC=C(C=C1)OC CNP0283297.0 [0,1,0,0,0,1|0,0,2]=4 274 B15R1.206 COC(=O)CC=CC1=CC=C(C=C1)OC CNP0085661.0 [0,1,0,0,0,1|0,0,1]=3 275 B15R1.206 COC(=O)CCOC1=CC=C(C=C1)OC CNP0194275.0 [0,1,0,0,0,1|0,0,0]=2 276 B15R1.1080 CC(=O)C1=CC=C(C=C1)CCCC(=O)O CNP0494538.0 [0,1,0,0,0,1|2,0,0]=4 277 B15R1.1080 CC(C)C1=CC=C(C=C1)CCCC(=O)O CNP0565951.0 [0,1,0,0,0,1|2,0,0]=4 278 B15R1.4581 COC1=CC=C(C(=C1)O)C=COC(=O)C CNP0129806.0 [0,1,0,0,0,1|0,0,2]=4 279 B15R1.2 C=CC(OC(=O)C)C1=CC=C(C=C1)OC CNP0567117.0 [0,2,0,0,0,0|1,0,0]=3 280 B15R1.2 C=C[C@@H](CC(=O)O)C1=CC=C(C=C1)OC CNP0468916.2 [0,2,0,0,0,0|1,0,0]=3 281 B15R1.2 C=C[C@H](CC(=O)O)C1=CC=C(C=C1)OC CNP0468916.1 [0,2,0,0,0,0|1,0,0]=3 282 B15R1.2 COC1=CC=C(C=C1)[C@@H](CN)CC(=O)O CNP0381535.1 [0,2,0,0,0,0|1,0,0]=3 283 B15R1.2 COC1=CC=C(C=C1)[C@H](CN)CC(=O)O CNP0381535.2 [0,2,0,0,0,0|1,0,0]=3 284 B15R1.211 COC(=O)CC(=O)C1=CC=C(C=C1)OC CNP0134280.0 [0,2,0,0,0,0|0,0,1]=3 285 B15R1.3776 COC1=CC=C(C=C1O)[C@@H](N)CC(=O)O CNP0398851.1 [0,2,0,0,0,0|1,0,0]=3 286 B15R1.3776 COC1=CC=C(C=C1O)[C@H](N)CC(=O)O CNP0398851.2 [0,2,0,0,0,0|1,0,0]=3 287 B15R1.5504 CC(C)C1=CC=C(C=C1)[C@@H](N)CC(=O)O CNP0395950.2 [0,2,0,0,0,0|2,0,0]=4 288 B15R1.5504 CC(C)C1=CC=C(C=C1)[C@H](N)CC(=O)O CNP0395950.1 [0,2,0,0,0,0|2,0,0]=4 289 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(C=C1)OC CNP0244766.1 [0,2,0,0,0,0|0,0,0]=2 290 B15R1.3 COC(=O)[C@H](O)CC1=CC=C(C=C1)OC CNP0308769.1 [0,2,0,0,0,0|0,0,0]=2 291 B15R1.208 CN[C@@H](CC1=CC=C(C=C1)OC)C(=O)O CNP0268620.1 [0,2,0,0,0,0|1,0,0]=3 292 B15R1.208 COC1=CC=C(C=C1)CC(=NO)C(=O)O CNP0450294.0 [0,2,0,0,0,0|1,0,1]=4 293 B15R1.208 COC1=CC=C(C=C1)C[C@@H](OC)C(=O)O CNP0305972.1 [0,2,0,0,0,0|1,0,0]=3 294 B15R1.208 COC1=CC=C(C=C1)C[C@H](OC)C(=O)O CNP0305972.2 [0,2,0,0,0,0|1,0,0]=3 295 B15R1.1855 COC1=CC=C(C(=C1)O)C[C@@H](O)C(=O)O CNP0075802.2 [0,2,0,0,0,0|1,0,0]=3 296 B15R1.1855 COC1=CC=C(C(=C1)O)C[C@H](O)C(=O)O CNP0075802.1 [0,2,0,0,0,0|1,0,0]=3 297 B15R1.3777 COC1=CC=C(C=C1O)CC(=O)C(=O)O CNP0465955.0 [0,2,0,0,0,0|1,0,1]=4 298 B15R1.3777 COC1=CC=C(C=C1O)CC(O)C(=O)O CNP0075822.0 [0,2,0,0,0,0|1,0,0]=3 299 B15R1.18 CCOC1=CC=C(C=C1)C=CC(=O)OC CNP0145365.0 [0,2,0,0,0,0|0,0,2]=4 300 B15R1.793 CCCC(=O)OCC1=CC=C(C=C1)OC CNP0281073.0 [0,2,0,0,0,0|1,0,0]=3 301 B15R1.793 CCOC(=O)C=CC1=CC=C(C=C1)OC CNP0248344.0 [0,2,0,0,0,0|0,0,2]=4 302 B15R1.793 CCOC(=O)CCC1=CC=C(C=C1)OC CNP0481862.0 [0,2,0,0,0,0|0,0,0]=2 303 B15R1.1856 COC(=O)CCC1=CC=C(C=C1O)OC CNP0188116.0 [0,2,0,0,0,0|0,0,0]=2 304 B15R1.3779 COC(=O)C=CC1=CC=C(C(=C1)O)OC CNP0225406.0 [0,2,0,0,0,0|0,0,2]=4 305 B15R1.3779 COC(=O)CCC1=CC=C(C(=C1)O)OC CNP0417601.0 [0,2,0,0,0,0|0,0,0]=2 306 B15R1.1904 C=CC1=CC(=CC=C1CCC(=O)O)OC CNP0316613.0 [0,2,0,0,0,0|1,0,0]=3 307 B15R1.1904 COC1=CC=C(C(=C1)OC)CCC(=O)O CNP0309281.0 [0,2,0,0,0,0|1,0,0]=3 308 B15R1.1904 COC1=CC=C(C(=C1)OC)CC[C@@H](C)N CNP0176759.2 [0,2,0,0,0,0|1,0,1]=4 309 B15R1.1904 COC1=CC=C(C(=C1)OC)CC[C@H](C)N CNP0176759.1 [0,2,0,0,0,0|1,0,1]=4 310 B15R1.499 CC(=O)CCC1=CC=C(C=C1)OC(=O)C CNP0297393.0 [0,2,0,0,0,0|0,0,0]=2 311 B15R1.499 CC(=O)OCC1=CC=C(C=C1)OC(=O)C CNP0129543.0 [0,2,0,0,0,0|1,0,0]=3 312 B15R1.3775 COC1=CC=C(C=C1O)CC[N+](C)(C)C CNP0606397.0 [0,2,0,0,0,0|2,0,0]=4 313 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)C CNP0267914.0 [0,2,0,0,0,0|0,0,0]=2 314 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)N CNP0339075.0 [0,2,0,0,0,0|1,0,0]=3 315 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)O CNP0228435.0 [0,2,0,0,0,0|1,0,0]=3 316 B15R1.12854 COC1=CC=C(C=C1OC)CCN(C)C CNP0192406.0 [0,2,0,0,0,0|2,0,0]=4 317 B15R1.21573 COC1=C(C=C(C=C1I)CCN(C)C)I CNP0430086.0 [0,2,0,0,0,0|2,0,0]=4 318 B13R2.155 CC1=CC=C2CCC(CC2=C1)C CNP0609610.0 [1,0,0,1,0,0|1,0,1]=4 319 B13R2.155 CN1CCC2=CC=C(C=C2C1)O CNP0477568.0 [1,0,0,1,0,0|2,0,0]=4 320 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [1,0,0,1,0,0|1,0,0]=3 321 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C CNP0316606.1 [1,0,0,1,0,0|1,0,1]=4 322 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [1,0,0,1,0,0|0,0,1]=3 323 B13R2.57 COC1=CC=C2CCNCC2=C1 CNP0223887.0 [1,0,0,1,0,0|1,0,0]=3 324 B13R2.57 COC1=CC=C2CNCCC2=C1 CNP0279810.0 [1,0,0,1,0,0|1,0,1]=4 325 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [1,0,0,1,0,0|1,0,1]=4 326 B13R2.184 COC1=CC=C(C=C1)C[C@@H]2CO2 CNP0109830.2 [1,0,0,1,0,0|1,0,0]=3 327 B13R2.184 COC1=CC=C(C=C1)C[C@H]2CO2 CNP0109830.1 [1,0,0,1,0,0|1,0,0]=3 328 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 CNP0215384.0 [0,0,0,1,1,0|2,0,0]=4 329 B13R2.2121 COC1=CC=C2NC(=O)SC2=C1 CNP0406672.0 [0,0,0,1,1,0|2,0,0]=4 330 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,0,0,1,1,0|2,0,0]=4 331 B15R2.2 COC1=CC=C(C=C1)C2COC(=O)C2 CNP0497424.0 [0,0,0,1,0,1|0,0,0]=2 332 B15R2.2 COC1=CC=C(C=C1)[C@@H]2CN=C(O2)S CNP0609509.1 [0,0,0,1,0,1|1,0,1]=4 333 B15R2.2 COC1=CC=C(C=C1)[C@@H]2CNC(=O)S2 CNP0266960.2 [0,0,0,1,0,1|1,0,0]=3 334 B15R2.2 COC1=CC=C(C=C1)[C@@H]2CNC(=S)O2 CNP0311306.1 [0,0,0,1,0,1|1,0,1]=4 335 B15R2.2 COC1=CC=C(C=C1)[C@H]2CC(=O)NN2 CNP0206619.1 [0,0,0,1,0,1|1,0,0]=3 336 B15R2.2 COC1=CC=C(C=C1)[C@H]2CNC(=O)S2 CNP0266960.1 [0,0,0,1,0,1|1,0,0]=3 337 B15R2.2 O=CC1=CC=C(C=C1)[C@H]2COC(=O)C2 CNP0287191.1 [0,0,0,1,0,1|2,0,0]=4 338 B15R2.451 COC1=CC=C(C=C1)[C@@H]2O[C@@H]2C(=O)O CNP0441824.2 [0,0,0,1,0,1|1,0,0]=3 339 B15R2.451 COC1=CC=C(C=C1)[C@@H]2O[C@@H]2C(=O)[O-] CNP0441824.1 [0,0,0,1,0,1|1,0,0]=3 340 B15R2.4834 C=C(C)[C@@H]1CC2=CC(=CC=C2O1)OC CNP0351945.1 [0,1,0,1,0,0|2,0,0]=4 341 B15R2.4834 C=C(C)[C@@H]1CC2=CC=C(C=C2O1)OC CNP0164709.1 [0,1,0,1,0,0|1,0,0]=3 342 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 CNP0147307.0 [0,1,0,1,0,0|0,0,0]=2 343 B15R2.7688 CC(=O)OCC1=CC=C2OCOC2=C1 CNP0415728.0 [0,1,0,1,0,0|1,0,0]=3 344 B15R2.7688 O=C(O)CCC1=CC=C2OCCC2=C1 CNP0116181.0 [0,1,0,1,0,0|1,0,0]=3 345 B15R2.1824 COC1=CC2=C(C=C1O)CCC(=O)O2 CNP0218092.0 [0,1,0,1,0,0|1,0,0]=3 346 B15R2.1824 COC1=CC2=C(C=C1O)CCN(C2)C CNP0131547.0 [0,1,0,1,0,0|2,0,0]=4 347 B15R2.1824 COC1=CC2=C(C=C1O)CC[N+](=C2)C CNP0551303.0 [0,1,0,1,0,0|2,0,0]=4 348 B15R2.4774 COC1=CC=C2CCN(CC2=C1O)C CNP0133046.0 [0,1,0,1,0,0|2,0,0]=4 349 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,0,0,0,1,0|1,0,0]=3 350 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,0,0,0,1,0|1,0,0]=3 351 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,0,0,0,1,0|0,0,0]=2 352 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,0,0,0,1,0|1,0,1]=4 353 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,0,0,0,1,0|2,0,0]=4 354 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,0,0,0,1,0|2,0,0]=4 355 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,0,0,0,1,0|2,0,0]=4 356 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,0,0,1,0|1,0,0]=3 357 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,0,0,0,1,0|1,0,0]=3 358 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,0,0,0,1,0|1,0,1]=4 359 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,0,0,0,1,0|1,0,1]=4 360 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,0,0,0,1,0|1,0,1]=4 361 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,0,0,0,1,0|1,0,1]=4 362 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,0,0,0,1,0|1,0,0]=3 363 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,0,0,0,1,0|2,0,0]=4 364 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,0,0,0,1,0|2,0,0]=4 365 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,0,0,0,1,0|2,0,0]=4 366 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,0,0,0,1,0|1,0,0]=3 367 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,0,0,0,1,0|1,0,0]=3 368 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,0,0,0,2,0|1,0,0]=3 369 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,0,0,0,2,0|2,0,0]=4 370 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,0,0,0,2,0|2,0,0]=4 371 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,0,0,0,2,0|2,0,0]=4 372 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,0,0,0,2,0|2,0,0]=4 373 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,0,0,0,2,0|0,0,0]=2 374 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,0,0,0,2,0|1,0,0]=3 375 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,0,0,0,2,0|1,0,0]=3 376 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,0,0,0,2,0|1,0,0]=3 377 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,0,0,0,2,0|1,0,1]=4 378 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,0,0,0,2,0|2,0,0]=4 379 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,0,0,0,2,0|0,0,2]=4 380 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,0,0,0,2,0|0,0,2]=4 381 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,0,0,0,2,0|2,0,0]=4 382 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,0,0,0,2,0|2,0,0]=4 383 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,0,0,0,2,0|2,0,0]=4 384 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,0,0,0,2,0|1,0,0]=3 385 B13R1.513 CC(=CCOC1=CC=C(C=C1)O)C CNP0265943.0 [1,0,0,0,0,1|1,0,1]=4 386 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [1,0,0,0,0,1|0,0,1]=3 387 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [1,0,0,0,0,1|0,0,0]=2 388 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [1,0,0,0,0,1|0,0,0]=2 389 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [1,0,0,0,0,1|0,0,0]=2 390 B13R1.513 CC1=CC=C(C=C1)OCCP(=O)O CNP0506132.0 [1,0,0,0,0,1|2,0,0]=4 391 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [1,0,0,0,0,1|0,0,2]=4 392 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,0,0,0,1,1|1,0,0]=3 393 B15R1.4 COC1=CC=C(C=C1)C=CCOC(=O)C CNP0104493.0 [0,0,0,0,0,2|0,0,1]=3 394 B15R1.4 COC1=CC=C(C=C1)CCCOC(=O)C CNP0417711.0 [0,0,0,0,0,2|0,0,0]=2