0 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0395861.2 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.48 CCOC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0203533.1 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 CNP0350709.0 [1,0,0,0,0,0|1,0,1]=3 3 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 CNP0299874.0 [1,0,0,0,0,0|2,0,1]=4 4 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0259364.1 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0127852.1 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.134 COC(=O)C(=CC1=CC=C(C=C1)O)O CNP0199127.0 [1,0,0,0,0,0|1,0,2]=4 7 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl CNP0355431.0 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.134 COC(=O)C(O)CC1=CC=C(C=C1)O CNP0118416.0 [1,0,0,0,0,0|1,0,0]=2 9 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.134 COC(=O)[C@@H](C)NC1=CC=C(C=C1)C CNP0481771.2 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0122998.1 [1,0,0,0,0,0|0,0,0]=1 12 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=N1)O CNP0236104.1 [1,0,0,0,0,0|1,0,0]=2 13 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [1,0,0,0,0,0|2,0,0]=3 14 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(C=C1)C CNP0481771.1 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0118416.1 [1,0,0,0,0,0|1,0,0]=2 16 B14R1.134 N[C@H](CC1=CC=C(C=C1)I)C(=O)NO CNP0602089.1 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C CNP0157244.0 [1,0,0,0,0,0|1,0,2]=4 18 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [1,0,0,0,0,0|0,0,2]=3 19 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [1,0,0,0,0,0|0,0,0]=1 20 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [1,0,0,0,0,0|2,0,0]=3 21 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [1,0,0,0,0,0|2,0,0]=3 22 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [1,0,0,0,0,0|2,0,0]=3 23 B16R1.743 CCOC(=O)C(=CC1=CC=C(C=C1)O)C#N CNP0099780.0 [0,1,0,0,0,0|0,0,3]=4 24 B16R1.1065 CC(C)CC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0109697.1 [0,1,0,0,0,0|2,0,0]=3 25 B16R1.4970 CCOC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O CNP0605085.2 [0,1,0,0,0,0|0,0,0]=1 26 B16R1.4970 CCOC(=O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0148678.1 [0,1,0,0,0,0|1,0,0]=2 27 B16R1.15339 CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl CNP0336481.0 [0,1,0,0,0,0|3,0,0]=4 28 B16R2.755 CCOC(=O)C1=CC2=CC(=CC=C2N1)O CNP0609128.0 [0,0,0,1,0,0|2,0,1]=4 29 B16R2.1131 NC1=NC(=O)C(N1)CC2=CC=C(C=C2)O CNP0244927.0 [0,0,0,1,0,0|2,0,1]=4 30 B16R2.1131 O=C1NC(=O)[C@@H](N1)CC2=CC=C(C=C2)O CNP0331206.1 [0,0,0,1,0,0|2,0,1]=4 31 B16R2.1131 O=C1NC(=O)[C@H](N1)CC2=CC=C(C=C2)O CNP0331206.2 [0,0,0,1,0,0|2,0,1]=4 32 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)O CNP0219617.0 [0,0,0,0,1,0|1,0,1]=3 33 B14R1.35 CCOC(=O)[C@@H](N)C1=CC=C(C=C1)Cl CNP0548565.1 [0,0,0,0,1,0|1,0,0]=2 34 B14R1.35 CCOC(=O)[C@@H](O)C1=CC=C(C=C1)O CNP0217267.1 [0,0,0,0,1,0|1,0,0]=2 35 B14R1.35 CCOC(=O)[C@H](N)C1=CC=C(C=C1)Cl CNP0548565.2 [0,0,0,0,1,0|1,0,0]=2 36 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [2,0,0,0,0,0|1,0,1]=4 37 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O CNP0301144.0 [2,0,0,0,0,0|1,0,1]=4 38 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [2,0,0,0,0,0|2,0,0]=4 40 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [2,0,0,0,0,0|1,1,0]=4 41 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [2,0,0,0,0,0|0,0,2]=4 42 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [2,0,0,0,0,0|0,0,0]=2 43 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [2,0,0,0,0,0|1,1,0]=4 44 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [2,0,0,0,0,0|0,0,2]=4 47 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [2,0,0,0,0,0|1,0,1]=4 48 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [2,0,0,0,0,0|2,0,0]=4 49 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [2,0,0,0,0,0|0,0,0]=2 50 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [2,0,0,0,0,0|0,0,0]=2 54 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [2,0,0,0,0,0|2,0,0]=4 57 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [2,0,0,0,0,0|1,0,0]=3 58 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [2,0,0,0,0,0|0,0,2]=4 59 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [2,0,0,0,0,0|0,0,0]=2 60 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [2,0,0,0,0,0|1,0,0]=3 61 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [2,0,0,0,0,0|1,0,0]=3 62 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [2,0,0,0,0,0|2,0,0]=4 63 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [2,0,0,0,0,0|0,0,2]=4 64 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [2,0,0,0,0,0|1,0,0]=3 65 B13R1.133 NC(CC1=CNC(=O)C=C1)C(=O)O CNP0485960.0 [2,0,0,0,0,0|1,0,1]=4 66 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [2,0,0,0,0,0|1,0,0]=3 67 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [2,0,0,0,0,0|1,0,0]=3 68 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [2,0,0,0,0,0|1,0,0]=3 69 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [2,0,0,0,0,0|1,0,0]=3 70 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [2,0,0,0,0,0|1,0,0]=3 71 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [2,0,0,0,0,0|1,0,0]=3 72 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [2,0,0,0,0,0|0,0,0]=2 73 B13R1.133 N[C@@H](CC1=CC=C(C=N1)O)C(=O)O CNP0228825.1 [2,0,0,0,0,0|1,0,0]=3 74 B13R1.133 N[C@@H](CC1=CC=C(N=C1)O)C(=O)O CNP0202206.1 [2,0,0,0,0,0|1,0,0]=3 75 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [2,0,0,0,0,0|1,0,0]=3 76 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [2,0,0,0,0,0|1,0,0]=3 77 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [2,0,0,0,0,0|1,0,0]=3 78 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [2,0,0,0,0,0|0,0,0]=2 79 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [2,0,0,0,0,0|1,0,1]=4 80 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [2,0,0,0,0,0|1,0,0]=3 81 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [2,0,0,0,0,0|2,0,0]=4 82 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [2,0,0,0,0,0|1,0,0]=3 83 B15R1.496 CC(C)CC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0324298.1 [1,1,0,0,0,0|2,0,0]=4 84 B15R1.496 CC(C)CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0324298.2 [1,1,0,0,0,0|2,0,0]=4 85 B15R1.578 CCOC(=O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0324519.1 [1,1,0,0,0,0|1,0,0]=3 86 B15R1.640 CCCC(=O)C(CC)CC1=CC=CC=C1 CNP0290194.0 [1,1,0,0,0,0|2,0,0]=4 87 B15R1.640 CCOC(=O)C(CC)CC1=CC=CC=C1 CNP0148060.0 [1,1,0,0,0,0|1,0,0]=3 88 B15R1.640 CCOC(=O)[C@H](CC1=CC=CC=C1)NO CNP0231565.1 [1,1,0,0,0,0|0,0,0]=2 89 B15R1.10540 CCOC(=O)[C@@](C)(N)CC1=CC=CC=C1 CNP0501305.1 [1,1,0,0,0,0|0,0,0]=2 90 B15R1.10540 CCOC(=O)[C@](C)(N)CC1=CC=CC=C1 CNP0501305.2 [1,1,0,0,0,0|0,0,0]=2 91 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(C=C1)OC CNP0244766.1 [1,1,0,0,0,0|0,0,0]=2 92 B15R1.3 COC(=O)[C@H](O)CC1=CC=C(C=C1)OC CNP0308769.1 [1,1,0,0,0,0|1,0,0]=3 93 B15R1.1373 COC(=O)C(=NO)CC1=CC=C(C=C1)O CNP0165640.0 [1,1,0,0,0,0|0,0,2]=4 94 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(C(=C1)O)O CNP0290412.1 [1,1,0,0,0,0|0,0,0]=2 95 B15R1.5521 COC(=O)[C@@H](N)CN1C=CC(=O)C(=C1)O CNP0587174.1 [1,1,0,0,0,0|1,0,1]=4 96 B15R1.5521 COC(=O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0198258.1 [1,1,0,0,0,0|1,0,0]=3 97 B15R1.11652 COC(=O)C(C)(N)CC1=CC=C(C=C1)O CNP0217098.0 [1,1,0,0,0,0|0,0,0]=2 98 B15R1.139 O=C(C=CC1=CC=C(C=C1)O)OCCO CNP0209774.0 [1,1,0,0,0,0|0,0,2]=4 99 B15R1.793 CCCC(=O)OCC1=CC=C(C=C1)OC CNP0281073.0 [1,1,0,0,0,0|2,0,0]=4 100 B15R1.793 CCOC(=O)C=CC1=CC=C(C=C1)OC CNP0248344.0 [1,1,0,0,0,0|0,0,2]=4 101 B15R1.793 CCOC(=O)CCC1=CC=C(C=C1)OC CNP0481862.0 [1,1,0,0,0,0|0,0,0]=2 102 B15R1.10390 CCOC(=O)C=CC1=CC=C(C(=C1)O)O CNP0251886.0 [1,1,0,0,0,0|0,0,2]=4 103 B15R1.769 CCOC(=O)[C@@H](CC)C1=CC=C(C=C1)C CNP0030686.1 [0,1,0,0,1,0|2,0,0]=4 104 B15R1.769 CCOC(=O)[C@H](CC)C1=CC=C(C=C1)C CNP0030686.2 [0,1,0,0,1,0|2,0,0]=4 105 B15R1.3943 CCOC(=O)[C@@H](O)C1=CC=C(C=C1)OC CNP0307249.1 [0,1,0,0,1,0|1,0,0]=3 106 B17R1.1121 N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)O CNP0086244.1 [0,2,0,0,0,0|1,0,1]=4 107 B17R1.1121 N[C@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)O CNP0086244.2 [0,2,0,0,0,0|1,0,1]=4 108 B17R1.1257 CCCCOC(=O)C(N)CC1=CC=C(C=C1)O CNP0347730.0 [0,2,0,0,0,0|0,0,0]=2 109 B17R1.1257 CCCCOC(=O)C(O)CC1=CC=C(C=C1)O CNP0113097.0 [0,2,0,0,0,0|1,0,0]=3 110 B17R1.1257 CCCCOC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0113097.1 [0,2,0,0,0,0|1,0,0]=3 111 B17R1.1064 CC(C)OC(=O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0144612.1 [0,2,0,0,0,0|1,0,0]=3 112 B17R1.127650 CCOC(=O)[C@](C)(N)CC1=CC=C(C(=C1)O)O CNP0026456.1 [0,2,0,0,0,0|0,0,0]=2 113 B15R2.1342 CCOC(=O)C1OC1C2=CC=CC=C2 CNP0003356.0 [1,0,0,1,0,0|1,0,0]=3 114 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.4 [1,0,0,1,0,0|1,0,0]=3 115 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.2 [1,0,0,1,0,0|1,0,0]=3 116 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0406892.3 [1,0,0,1,0,0|1,0,0]=3 117 B15R2.1342 CCOC(=O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0406892.1 [1,0,0,1,0,0|1,0,0]=3 118 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 CNP0199365.0 [1,0,0,1,0,0|0,0,2]=4 119 B15R2.1356 CCOC(=O)C1CC2=CC=CC=C2O1 CNP0003388.0 [1,0,0,1,0,0|1,0,0]=3 120 B15R2.28 O=C1CCC[C@@H](O1)C2=CC=C(C=C2)O CNP0270866.1 [1,0,0,1,0,0|2,0,0]=4 121 B17R2.467 O=C1CNC(=O)[C@@H](N1)CC2=CC=C(C=C2)O CNP0194128.1 [0,1,0,1,0,0|1,0,1]=4 122 B17R2.6218 CCOC(=O)C1OC1(C)C2=CC=C(C=C2)C CNP0002813.0 [0,1,0,1,0,0|2,0,0]=4 123 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 CNP0318781.0 [1,0,0,0,1,0|1,0,1]=4 124 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 CNP0596138.0 [1,0,0,0,1,0|1,0,0]=3 125 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 CNP0145799.1 [1,0,0,0,1,0|1,0,0]=3 126 B13R1.21 COC(=O)C(=O)C1=CC=C(C=C1)O CNP0422883.0 [1,0,0,0,1,0|1,0,1]=4 127 B13R1.21 COC(=O)[C@@H](N)C1=CC=C(C=C1)Cl CNP0528049.2 [1,0,0,0,1,0|1,0,0]=3 128 B13R1.21 COC(=O)[C@H](N)C1=CC=C(C=C1)Cl CNP0528049.1 [1,0,0,0,1,0|1,0,0]=3 129 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 CNP0002894.0 [1,0,0,0,0,1|2,0,0]=4 130 B15R1.826 CCOC(=O)C(O)CCC1=CC=CC=C1 CNP0524257.0 [1,0,0,0,0,1|1,0,0]=3