0 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,0,0,0,0,0|0,0,0]=1 21 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [1,0,0,0,0,0|0,0,1]=2 35 B8R0.28 CC(C)N=C=NC(C)C CNP0254661.0 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.28 CC(C)SSSC(C)C CNP0350713.0 [1,0,0,0,0,0|2,1,0]=4 37 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.57 C=C(C)COC(=O)C(=CC)C CNP0568827.0 [0,1,0,0,0,0|0,0,3]=4 39 B10R0.57 C=C(C)COC(=O)[C@@H](C)OO CNP0352038.1 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.57 CC=C(C)C(=O)NCC(C)C CNP0353529.0 [0,1,0,0,0,0|1,0,1]=3 41 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,1,0,0,0,0|0,0,1]=2 42 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,1,0,0,0,0|0,0,0]=1 43 B10R0.82 C=C(C)C(=O)OCC(=CC)C CNP0299028.0 [0,1,0,0,0,0|0,0,3]=4 44 B10R0.82 C=C(C)C(=O)OCC(C)CC CNP0528381.0 [0,1,0,0,0,0|0,0,2]=3 45 B10R0.82 C=C[C@@H](C)CCC(=O)C(C)C CNP0311508.1 [0,1,0,0,0,0|1,0,1]=3 46 B10R0.82 C=C[C@H](C)CCC(=O)C(C)C CNP0311508.2 [0,1,0,0,0,0|1,0,1]=3 47 B10R0.82 CC=C(C)COC(=O)C(C)C CNP0582897.0 [0,1,0,0,0,0|0,0,1]=2 48 B10R0.82 CC[C@H](C)COC(=O)C(C)C CNP0174044.1 [0,1,0,0,0,0|0,0,0]=1 49 B10R0.84 CC(C)CC=C(C=O)C(C)C CNP0259933.0 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.84 CC(C)CCC(CO)C(C)C CNP0076818.0 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.93 CC(C)C(=O)OC(=O)C(C)C CNP0300991.0 [0,1,0,0,0,0|0,0,1]=2 52 B10R0.93 CC(O)C(C)OC(=O)[C@H](C)O CNP0202173.1 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [0,0,0,1,0,0|2,0,1]=4 55 B10R1.13 CC(C)C1=CC[C@@H](CC1)C CNP0287005.1 [0,0,0,1,0,0|2,0,0]=3 56 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.13 CC(C)C1=CC[C@H](CC1)C CNP0287005.2 [0,0,0,1,0,0|2,0,0]=3 58 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.58 CC(C)[C@@H]1C=C(C(=O)O1)N CNP0526370.1 [0,0,0,1,0,0|1,0,2]=4 61 B10R1.58 CC1=NN(CC1C)C(C)C CNP0114658.0 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [0,0,0,1,0,0|1,0,0]=2 63 B10R1.205 C=C(C)C(=O)OCC1CO1 CNP0077281.0 [0,0,0,1,0,0|1,0,2]=4 64 B10R1.471 CC1(OOC(=O)C1(C)C)C CNP0034186.0 [0,0,0,1,0,0|1,0,0]=2 65 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,1,0|1,0,1]=3 66 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,0,0,0,1,0|1,0,1]=3 67 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,0,0,0,1,0|2,0,1]=4 68 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,1,0|2,0,1]=4 69 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,0,0,1,0|1,0,0]=2 70 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,0,0,0,1,0|1,0,1]=3 71 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,0,0,0,1,0|0,0,0]=1 72 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,0,0,0,1,0|2,0,0]=3 73 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,0,0,0,0,1|1,0,1]=3 74 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [0,0,0,0,0,1|1,0,1]=3 75 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,0,0,0,0,1|1,0,0]=2 76 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,0,0,0,0,1|0,0,0]=1 77 B10R0.98 CC(=CCOC(=O)C(C)C)C CNP0003209.0 [0,0,0,0,0,1|0,0,1]=2 78 B10R0.98 CC(=CCSC(=O)C(C)C)C CNP0197381.0 [0,0,0,0,0,1|0,1,1]=3 79 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,0,0,0,0,1|1,0,1]=3 80 B10R0.98 CC(C)C/C=C/[C@@H](C)C(C)C CNP0596701.1 [0,0,0,0,0,1|2,0,1]=4 81 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,0,0,0,0,1|0,0,0]=1 82 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,0,0,0,0,1|1,0,0]=2 83 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.3 CCC(=O)OCCO CNP0095595.0 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|0,0,0]=2 91 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|0,1,1]=4 97 B7R0.4 CCCSSC(C)C CNP0309421.0 [2,0,0,0,0,0|1,1,0]=4 98 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [2,0,0,0,0,0|0,0,2]=4 101 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [2,0,0,0,0,0|0,0,0]=2 104 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [2,0,0,0,0,0|1,0,0]=3 106 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [2,0,0,0,0,0|1,0,1]=4 107 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [2,0,0,0,0,0|0,0,0]=2 110 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [2,0,0,0,0,0|1,0,0]=3 113 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [2,0,0,0,0,0|2,0,0]=4 114 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [2,0,0,0,0,0|0,0,0]=2 122 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [2,0,0,0,0,0|2,0,0]=4 125 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [1,1,0,0,0,0|0,0,1]=3 127 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [1,1,0,0,0,0|0,0,0]=2 128 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [1,1,0,0,0,0|1,1,0]=4 129 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [1,1,0,0,0,0|0,0,0]=2 130 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [1,1,0,0,0,0|0,0,2]=4 131 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|2,0,0]=4 132 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [1,1,0,0,0,0|0,0,0]=2 133 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [1,1,0,0,0,0|1,0,0]=3 134 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [1,1,0,0,0,0|1,0,0]=3 135 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [1,1,0,0,0,0|1,0,0]=3 136 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [1,1,0,0,0,0|2,0,0]=4 137 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [1,1,0,0,0,0|2,0,0]=4 138 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [1,1,0,0,0,0|2,0,0]=4 139 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [1,1,0,0,0,0|2,0,0]=4 140 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|1,0,0]=3 141 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|1,0,0]=3 142 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,1,0,0,0,0|0,0,0]=2 143 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|2,0,0]=4 144 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [1,1,0,0,0,0|0,0,2]=4 145 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [1,1,0,0,0,0|0,0,1]=3 146 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [1,1,0,0,0,0|1,0,0]=3 147 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [1,1,0,0,0,0|0,0,0]=2 148 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,1,0,0,0,0|1,0,1]=4 149 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|1,0,0]=3 150 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [1,1,0,0,0,0|1,0,1]=4 152 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [1,1,0,0,0,0|1,0,0]=3 155 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [1,1,0,0,0,0|1,0,1]=4 158 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.53 CC(C)CC(C)CC(C)C CNP0076048.0 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.53 CC(C)CC(O)CC(C)C CNP0003532.0 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,1,0|1,0,1]=4 163 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,1,0|1,0,1]=4 164 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(C)C CNP0336723.1 [0,1,0,0,1,0|0,0,2]=4 165 B11R0.93 CSC(C)CC(=O)OCC(C)C CNP0003257.0 [0,1,0,0,0,1|0,0,0]=2 166 B11R0.107 CC(C)CC(=O)OC[C@H](O)CO CNP0284962.1 [0,1,0,0,0,1|1,0,0]=3 167 B11R0.107 CCC(C)COC(=O)C=C(C)C CNP0003238.0 [0,1,0,0,0,1|0,0,1]=3 168 B11R0.107 CCC(C)COC(=O)CC(C)C CNP0079769.0 [0,1,0,0,0,1|0,0,0]=2 169 B11R0.143 CO[C@H](CC(C)C)OCC(C)C CNP0189791.1 [0,1,0,0,0,1|0,0,2]=4 170 B11R0.173 C=C(C(=O)OCC(C)C)[C@H](C)O CNP0245301.1 [0,1,0,0,0,1|1,0,0]=3 171 B11R0.109 C=C(C)C(=O)OCCC(C)CC CNP0502896.0 [0,1,0,0,0,1|0,0,2]=4 172 B11R0.109 CCC(C)CCOC(=O)C(C)C CNP0592735.0 [0,1,0,0,0,1|0,0,0]=2 173 B11R0.145 CC=C(C)C(=O)OCCC(C)C CNP0234140.0 [0,1,0,0,0,1|0,0,1]=3 174 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,1,0,0,0,1|0,0,0]=2 175 B11R0.92 C=C[C@@H](C)C[C@H](O)C(=O)C(C)C CNP0274696.1 [0,2,0,0,0,0|1,0,1]=4 176 B11R0.92 C=C[C@H](C)C[C@@H](O)C(=O)C(C)C CNP0274696.2 [0,2,0,0,0,0|1,0,1]=4 177 B11R0.120 CC=C(C)C(=O)OCC(C)CC CNP0537629.0 [0,2,0,0,0,0|0,0,1]=3 178 B11R0.120 CC=C(C)COC(=O)C(=CC)C CNP0358925.0 [0,2,0,0,0,0|0,0,2]=4 179 B11R0.120 CC[C@@H](C)COC(=O)[C@H](C)CC CNP0303745.3 [0,2,0,0,0,0|0,0,0]=2 180 B11R0.120 CC[C@H](C)COC(=O)[C@@H](C)CC CNP0303745.2 [0,2,0,0,0,0|0,0,0]=2 181 B11R0.120 CC[C@H](C)COC(=O)[C@H](C)CC CNP0303745.1 [0,2,0,0,0,0|0,0,0]=2 182 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|0,0,0]=2 184 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [1,0,0,1,0,0|1,0,0]=3 192 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [1,0,0,1,0,0|1,0,0]=3 193 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [1,0,0,1,0,0|1,0,0]=3 195 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [1,0,0,1,0,0|1,0,1]=4 196 B9R1.161 CC(C)C1OC1C(C)C CNP0501079.0 [1,0,0,1,0,0|0,0,1]=3 197 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,0,0,1,1,0|0,0,0]=2 198 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [0,0,0,1,1,0|0,0,2]=4 199 B9R1.153 CC1(OC(=O)C1(C)C)C CNP0024798.0 [0,0,0,1,1,0|0,0,0]=2 200 B11R1.74 CC1=CC(=O)CC(C1)C(C)C CNP0270583.0 [0,0,0,1,0,1|1,0,1]=4 201 B11R1.489 C[C@@H](O)[C@H]1CC(=O)OC1(C)C CNP0285624.1 [0,0,0,1,0,1|2,0,0]=4 202 B11R1.1040 C[C@@H](O)[C@@H]1C(=O)OCC1(C)C CNP0546702.1 [0,0,0,1,0,1|1,0,0]=3 203 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,0,0,1,0,1|1,0,1]=4 204 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,0,0,1,0,1|1,0,1]=4 205 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,0,0,1,0,1|1,0,1]=4 206 B11R1.80 CC(C)C[C@H]1C[C@@H](C(=O)O1)O CNP0356426.1 [0,0,0,1,0,1|1,0,0]=3 207 B11R1.19 C[C@H]1CC=C(CC1)C(C)(C)O CNP0221879.1 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.221 CC1(C[C@](C=CC1=O)(C)O)C CNP0423838.1 [0,1,0,1,0,0|1,0,1]=4 209 B11R1.656 CC1=CCC(C(=O)CC1)(C)C CNP0224211.0 [0,1,0,1,0,0|1,0,1]=4 210 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [0,1,0,1,0,0|1,0,1]=4 211 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [0,1,0,1,0,0|1,0,1]=4 212 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [0,1,0,1,0,0|1,0,0]=3 213 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [0,1,0,1,0,0|1,0,1]=4 214 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [0,1,0,1,0,0|1,0,1]=4 215 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [0,1,0,1,0,0|1,0,1]=4 216 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [0,1,0,1,0,0|1,0,1]=4 217 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [0,1,0,1,0,0|1,0,1]=4 218 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [0,1,0,1,0,0|1,0,1]=4 219 B11R1.325 C[C@@H]1C[C@H](CC(C1=O)(C)C)O CNP0422029.1 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@H]([C@H]1O)O CNP0315584.2 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.672 C[C@H](O)[C@@H]1OC(=O)[C@@H]([C@@H]1O)O CNP0315584.1 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.22 CC1CC=C(CC1)C(C)CO CNP0612011.0 [0,1,0,1,0,0|2,0,0]=4 223 B11R1.3 CC(C)C1=CCC(CC1)CO CNP0423444.0 [0,1,0,1,0,0|2,0,0]=4 224 B11R1.390 CC1=C(CCC(C1)(C)C)C=O CNP0106998.0 [0,1,0,1,0,0|1,0,1]=4 225 B11R1.390 C[C@@H]1CC(CC=C1CO)(C)C CNP0332441.2 [0,1,0,1,0,0|1,0,1]=4 226 B11R1.390 C[C@H]1CC(CC=C1CO)(C)C CNP0332441.1 [0,1,0,1,0,0|1,0,1]=4 227 B11R1.727 CC(C)C1=CC[C@@](CC1)(C)O CNP0140694.2 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.727 CC(C)C1=CC[C@](CC1)(C)O CNP0140694.1 [0,1,0,1,0,0|2,0,0]=4 229 B11R2.2357 CC12CC=C(C1(C)C)CC2 CNP0573437.0 [0,0,0,2,0,0|2,0,0]=4 230 B11R2.684 C=C1C[C@@H]2C[C@H]1CC2(C)C CNP0266797.2 [0,0,0,2,0,0|2,0,0]=4 231 B11R2.684 C=C1C[C@H]2C[C@@H]1CC2(C)C CNP0266797.1 [0,0,0,2,0,0|2,0,0]=4 232 B11R2.684 CC1=C[C@H]2C[C@@H]1CC2(C)C CNP0132888.1 [0,0,0,2,0,0|2,0,0]=4 233 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,0,0,0,1,0|1,0,1]=4 234 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,0,0,1,0|0,0,2]=4 235 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,0,0,0,1,0|0,0,0]=2 236 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,0,0,0,1,0|0,0,0]=2 237 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,0,0,1,0|1,0,1]=4 238 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,0,0,1,0|1,0,0]=3 239 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,0,0,0,1,0|2,0,0]=4 240 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,0,0,0,1,0|2,0,0]=4 241 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,0,0,0,1,0|2,0,0]=4 242 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,0,0,0,1,0|2,0,0]=4 243 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,0,0,0,1,0|2,0,0]=4 244 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,0,0,0,1,0|2,0,0]=4 245 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,0,0,0,1,0|1,0,0]=3 246 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,0,0,0,2,0|0,0,2]=4 247 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,2,0|1,0,1]=4 248 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,0,0,0,2,0|0,0,0]=2 249 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,0,0,0,2,0|1,0,0]=3 250 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,0,0,0,2,0|1,0,1]=4 251 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,0,0,0,2,0|0,0,2]=4 252 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,0,0,0,2,0|2,0,0]=4 253 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [1,0,0,0,0,1|0,0,2]=4 254 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,0,0,0,0,1|1,0,1]=4 255 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,0,0,0,0,1|1,0,0]=3 256 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,0,0,0,0,1|0,0,0]=2 257 B9R0.55 CC(C)C#CC=CC(C)C CNP0164536.0 [1,0,0,0,0,1|1,0,1]=4 258 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,0,0,0,0,1|1,0,1]=4 259 B9R0.55 CC(C)CSSCC(C)C CNP0113206.0 [1,0,0,0,0,1|0,1,1]=4 260 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,0,0,0,0,2|0,0,2]=4 261 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,0,0,0,0,2|0,0,1]=3 262 B11R0.6 CC(=CCOC(=O)C=C(C)C)C CNP0350613.0 [0,0,0,0,0,2|0,0,2]=4 263 B11R0.6 CC(=CCOC(=O)CC(C)C)C CNP0115393.0 [0,0,0,0,0,2|0,0,1]=3 264 B11R0.6 CC(=CCSC(=O)CC(C)C)C CNP0242977.0 [0,0,0,0,0,2|0,1,1]=4 265 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,0,0,0,0,2|1,0,1]=4 266 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,0,0,0,0,2|0,0,0]=2 267 B11R0.85 CC(C)CNC(=O)NCC(C)C CNP0570666.0 [0,0,0,0,0,2|1,0,0]=3 268 B11R0.29 CC(C)CCCOC(=O)C(C)C CNP0167474.0 [0,0,0,0,0,2|0,0,0]=2 269 B11R0.29 CC(C)CCCOC(=O)C(Cl)Cl CNP0482972.0 [0,0,0,0,0,2|2,0,0]=4