0 B11R1.20 CC(=O)NC1CCC(=O)CC1 CNP0508651.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.1 C/C=C/[C@@H]1CC=C(CC1)C CNP0245559.2 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 C/C=C/[C@H]1CC=C(CC1)C CNP0245559.1 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.349 O=C(O)CC1(CCC(=O)CC1)O CNP0123752.0 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,0,1,0,0,0|1,0,2]=4 14 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,0,1,0,0,0|2,0,0]=3 15 B10R0.55 CCC(=O)CCC=CC(=O)C CNP0534993.0 [0,0,1,0,0,0|1,0,1]=3 16 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,0,1,0,0,0|2,0,0]=3 17 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,0,1,0,0,0|3,0,0]=4 18 B10R0.55 COC(=O)CCCNC(=N)N CNP0188338.0 [0,0,1,0,0,0|3,0,0]=4 19 B10R0.96 CC(=O)OCC(C)OC(=O)C CNP0403199.0 [0,0,1,0,0,0|2,0,0]=3 20 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O CNP0259340.1 [0,0,1,0,0,0|3,0,0]=4 21 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CNP0259340.2 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,0,0,0,1,0|1,0,0]=2 23 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C CNP0282017.1 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C CNP0282017.2 [0,0,0,0,1,0|2,0,1]=4 25 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,0,0,0,1,0|2,0,1]=4 27 B10R1.13 C=C1CCC(CC1)C(=C)C CNP0372229.0 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.13 C=C1CCC(CC1)C(=C)O CNP0196547.0 [0,0,0,0,1,0|1,0,2]=4 29 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,0,0,0,1,0|1,0,0]=2 30 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.13 CC(=O)C1=CNC(=O)CC1 CNP0234990.0 [0,0,0,0,1,0|1,0,2]=4 32 B10R1.13 CC(=O)N1CCC(=O)CC1 CNP0046291.0 [0,0,0,0,1,0|1,0,0]=2 33 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,0,0,0,1,0|1,0,1]=3 34 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,0,0,0,1,0|1,0,1]=3 35 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,0,0,0,1,0|1,0,1]=3 36 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,0,0,0,1,0|0,0,2]=3 37 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,0,0,0,1,0|0,0,2]=3 38 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,0,0,0,1,0|2,0,1]=4 39 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,0,0,0,1,0|1,0,2]=4 40 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,0,0,0,1,0|1,0,2]=4 41 B10R1.54 CC(=O)O[C@H]1CNC(=O)C1 CNP0109144.1 [0,0,0,0,1,0|2,0,0]=3 42 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,0,0,0,1,0|3,0,0]=4 44 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [1,0,1,0,0,0|1,0,1]=4 46 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [1,0,1,0,0,0|1,0,1]=4 47 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,1,0,0,0|1,0,1]=4 48 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,0,1,0,0,0|1,0,1]=4 49 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,0,1,0,0,0|1,0,1]=4 50 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [1,0,1,0,0,0|1,0,1]=4 51 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,0,1,0,0,0|2,0,0]=4 52 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [1,0,1,0,0,0|0,0,0]=2 53 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [1,0,1,0,0,0|1,0,0]=3 54 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [1,0,1,0,0,0|1,0,0]=3 55 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [1,0,1,0,0,0|2,0,0]=4 56 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,0,1,0,0,0|1,0,1]=4 57 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [1,0,1,0,0,0|1,0,1]=4 58 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,0,1,0,0,0|1,0,1]=4 59 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [2,0,0,0,0,0|0,0,1]=3 61 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [2,0,0,0,0,0|0,0,1]=3 63 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [2,0,0,0,0,0|1,0,1]=4 64 B11R0.93 COC(=O)C[C@@H](O)COC(=O)C CNP0042929.1 [0,1,1,0,0,0|2,0,0]=4 65 B11R0.93 COC(=O)C[C@H](O)COC(=O)C CNP0042929.2 [0,1,1,0,0,0|2,0,0]=4 66 B11R0.106 COC(=O)CCCCC(=O)OC CNP0317209.0 [0,1,1,0,0,0|2,0,0]=4 67 B11R0.176 CC(=O)OCCCC(=O)CCO CNP0357221.0 [0,1,1,0,0,0|1,0,0]=3 68 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,1,1,0,0,0|1,0,0]=3 69 B11R0.143 CC(=O)N[C@H](C=O)CCC(=O)O CNP0262737.1 [0,1,1,0,0,0|1,0,1]=4 70 B11R0.160 CC(=O)N[C@@H](CCC=O)C(=O)O CNP0055559.1 [0,1,1,0,0,0|1,0,1]=4 71 B11R0.162 CCC(CCNC)N(C)C(=O)C CNP0344745.0 [0,1,1,0,0,0|2,0,0]=4 72 B11R0.149 CC(=O)OC(C)C(C)OC(=O)C CNP0471737.0 [0,1,1,0,0,0|2,0,0]=4 73 B11R0.232 CC(=O)OCC(C)(C)OC(=O)C CNP0198472.0 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.22 CC[C@@H](O)C1CCC(=O)CC1 CNP0040123.1 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.1234 CC1(CCC(=O)CC1)NC=O CNP0433529.0 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)C=O CNP0131745.1 [0,1,0,0,1,0|1,0,1]=4 84 B11R1.3 C=C(C)[C@H]1CC=C(CC1)C=O CNP0131745.2 [0,1,0,0,1,0|1,0,1]=4 85 B11R1.3 C=C(C)[C@H]1CC[C@@H](CC1)C=O CNP0280853.2 [0,1,0,0,1,0|1,0,1]=4 86 B11R1.3 C=C(C)[C@H]1CC[C@H](CC1)C=O CNP0280853.1 [0,1,0,0,1,0|1,0,1]=4 87 B11R1.21 C=C(C)[C@@H]1CCC(=C)[C@@H](C1)O CNP0254042.3 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.21 C=C(C)[C@@H]1CCC(=C)[C@H](C1)O CNP0254042.1 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.21 C=C(C)[C@H]1CCC(=C)[C@@H](C1)O CNP0254042.2 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.21 C=C(C)[C@H]1CCC(=C)[C@H](C1)O CNP0254042.4 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.166 C=C1CC[C@@H]([C@H](C1)O)C(=C)C CNP0275862.2 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.166 C=C1CC[C@H]([C@@H](C1)O)C(=C)C CNP0275862.1 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.166 CC(=O)[C@@H]1CCC(=C[C@H]1C)C CNP0099950.1 [0,1,0,0,1,0|1,0,1]=4 94 B11R1.220 CC(=O)[C@@]1(CC=C(CC1)C)C CNP0198541.2 [0,1,0,0,1,0|1,0,1]=4 95 B11R1.220 CC(=O)[C@]1(CC=C(CC1)C)C CNP0198541.1 [0,1,0,0,1,0|1,0,1]=4 96 B11R1.220 NC1(CCC(=O)CC1)C(=O)O CNP0121063.0 [0,1,0,0,1,0|1,0,0]=3 97 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,1,0,0,1,0|2,0,0]=4 100 B13R1.4920 COC(=O)CC1(CCC(=O)CC1)O CNP0138264.0 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.145 O=C1CSCC(=O)NCCN1 CNP0314481.0 [0,0,1,1,0,0|2,0,0]=4 102 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [1,0,0,1,0,0|1,0,1]=4 103 B11R2.533 CC1([C@@H]2CCC(=O)[C@H]1C2)C CNP0141735.2 [0,0,0,1,1,0|1,0,1]=4 104 B11R2.533 CC1([C@H]2CCC(=O)[C@@H]1C2)C CNP0141735.1 [0,0,0,1,1,0|1,0,1]=4 105 B11R2.746 CC(C)[C@]12CCC(=O)[C@H]1C2 CNP0328075.1 [0,0,0,1,1,0|1,0,1]=4 106 B11R2.66 O=C1CN2C(=O)CCC2N1 CNP0577679.0 [0,0,0,1,1,0|1,0,0]=3 107 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2O1 CNP0386488.1 [0,0,0,1,1,0|2,0,0]=4 108 B11R2.139 O=C1C[C@H]2CC(=O)C[C@H]2C1 CNP0329594.1 [0,0,0,1,1,0|1,0,0]=3 109 B13R2.23344 CC(=O)NC12CCN(CC1)CC2 CNP0463057.0 [0,1,0,1,0,0|2,0,0]=4 110 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,0,1,0,1,0|1,0,0]=3 111 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,0,1,0,1,0|2,0,0]=4 112 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,0,1,0,1,0|2,0,0]=4 113 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,0,1,0,1,0|2,0,0]=4 114 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,0,1,0,1,0|1,0,0]=3 115 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,0,1,0,1,0|2,0,0]=4 116 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,0,1,0,1,0|2,0,0]=4 117 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,0,1,0,1,0|1,0,0]=3 118 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,0,1,0,1,0|1,0,0]=3 119 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,0,1,0,1,0|2,0,0]=4 120 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,0,1,0,1,0|1,0,0]=3 121 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,0,1,0,1,0|2,0,0]=4 122 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,0,1,0,1,0|2,0,0]=4 123 B9R0.53 CC(=O)SC(C)SC(=O)C CNP0002805.0 [0,0,1,0,1,0|2,0,0]=4 124 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,0,1,0|0,0,1]=3 125 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,0,1,0|1,0,1]=4 126 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,0,1,0|1,0,1]=4 128 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,0,1,0|1,0,1]=4 129 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,0,1,0|1,0,1]=4 130 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,0,1,0|1,0,1]=4 132 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,0,2,0|1,0,0]=3 137 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,0,0,0,2,0|2,0,0]=4 138 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,0,0,0,2,0|2,0,0]=4 139 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,0,2,0|2,0,0]=4 140 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,0,2,0|2,0,0]=4 141 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,0,2,0|2,0,0]=4 142 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,0,2,0|2,0,0]=4 143 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,0,2,0|2,0,0]=4 144 B11R0.6 CC(=O)OCC[C@H](C)OC(=O)C CNP0076814.1 [0,0,1,0,0,1|1,0,0]=3 145 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C CNP0306070.1 [0,0,1,0,0,1|2,0,0]=4 146 B11R0.6 CC(=O)O[C@H](C)CCC=C(C)C CNP0306070.2 [0,0,1,0,0,1|2,0,0]=4