0 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [1,0,0,0,0,0|1,1,1]=4 40 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,0,0,0,0|1,1,0]=3 49 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|1,0,1]=3 55 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,1,0,0,0,0|1,0,1]=3 57 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [0,1,0,0,0,0|0,1,1]=3 60 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,1,0,0,0,0|1,0,1]=3 62 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,0,0,1,0,0|1,0,2]=4 73 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,0,0,1,0,0|1,0,2]=4 74 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,0,0,1,0,0|1,0,2]=4 77 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,0,0,1,0,0|1,0,2]=4 79 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,0,0,1,0,0|2,0,1]=4 83 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,0,0,0,0,1|3,0,0]=4 84 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,0,0,0,0,1|3,0,0]=4 85 B6R0.1 C=C(CO)CCO CNP0082069.0 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.1 CC(=CCO)CO CNP0277047.0 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.1 CCC=C(C)CO CNP0511576.0 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|0,0,0]=2 97 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.1 CNC(=S)NCO CNP0487489.0 [2,0,0,0,0,0|1,1,0]=4 105 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|0,0,2]=4 106 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [2,0,0,0,0,0|0,0,2]=4 107 B6R0.4 CC(=CCCO)C CNP0410779.0 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|0,0,0]=2 110 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|0,1,0]=3 111 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,0,0]=3 114 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.4 CC(C)NCCN CNP0082470.0 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.4 CC(C)NCCO CNP0141461.0 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.4 CC(C)OCCO CNP0079907.0 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.4 O=C(O)C=CCO CNP0097506.0 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 134 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.6 OCCNCCO CNP0247543.0 [2,0,0,0,0,0|0,0,1]=3 146 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.6 OCCSCCO CNP0335773.0 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [2,0,0,0,0,0|0,0,0]=2 150 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [2,0,0,0,0,0|0,1,0]=3 154 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [2,0,0,0,0,0|0,0,0]=2 157 B6R0.3 CCC(O)C(C)O CNP0519497.0 [2,0,0,0,0,0|0,0,2]=4 158 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [2,0,0,0,0,0|1,0,1]=4 160 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.3 COC(=O)C(C)C CNP0354997.0 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [2,0,0,0,0,0|1,0,1]=4 170 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [2,0,0,0,0,0|0,0,2]=4 173 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [2,0,0,0,0,0|0,0,2]=4 174 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [2,0,0,0,0,0|1,0,1]=4 175 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [1,1,0,0,0,0|0,0,1]=3 191 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [1,1,0,0,0,0|1,0,1]=4 194 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [1,1,0,0,0,0|0,0,2]=4 202 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)CO CNP0148651.3 [1,1,0,0,0,0|0,0,2]=4 204 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)CO CNP0148651.4 [1,1,0,0,0,0|0,0,2]=4 205 B8R0.2 C[C@H](O)[C@@H](O)[C@H](O)CO CNP0148651.2 [1,1,0,0,0,0|0,0,2]=4 206 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)CO CNP0148651.1 [1,1,0,0,0,0|0,0,2]=4 207 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [1,1,0,0,0,0|1,0,1]=4 208 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [1,1,0,0,0,0|1,0,1]=4 211 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,1,0,0,0,0|1,0,0]=3 212 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [1,1,0,0,0,0|1,0,1]=4 214 B8R0.23 CN(O)C(=O)NC(=O)O CNP0303620.0 [1,1,0,0,0,0|1,0,1]=4 215 B10R0.6 CC(C)CC(=O)NCCC=O CNP0412095.0 [0,1,0,0,0,1|1,0,1]=4 216 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,1,0,0,0,1|2,0,0]=4 217 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,1,0,0,0,1|2,0,0]=4 218 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,1,0,0,0,1|1,0,0]=3 219 B10R0.28 CC(C)(C)OC(=O)NCCN CNP0061154.0 [0,1,0,0,0,1|2,0,0]=4 220 B10R0.96 CC(C)CC(=O)NCC(=O)O CNP0207580.0 [0,1,0,0,0,1|1,0,1]=4 221 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,1,0,0,0,1|2,0,0]=4 222 B10R0.12 C[C@@H](O)CNC(=O)C(Cl)(Cl)Cl CNP0047905.2 [0,2,0,0,0,0|2,0,0]=4 223 B10R0.12 C[C@H](O)CNC(=O)C(Cl)(Cl)Cl CNP0047905.1 [0,2,0,0,0,0|2,0,0]=4 224 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [0,2,0,0,0,0|1,0,1]=4 225 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O CNP0571395.1 [0,2,0,0,0,0|1,0,1]=4 226 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O CNP0415788.1 [0,2,0,0,0,0|1,0,1]=4 227 B10R0.93 CC(O)C(C)OC(=O)[C@H](C)O CNP0202173.1 [0,2,0,0,0,0|1,0,0]=3 228 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O CNP0191496.1 [0,2,0,0,0,0|1,0,1]=4 229 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O CNP0191496.2 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.19 N[C@@H](CCO)C(=O)NCCO CNP0123433.1 [0,2,0,0,0,0|1,0,0]=3 231 B10R0.26 CC(CC=O)OC(=O)C(C)O CNP0503832.0 [0,2,0,0,0,0|1,0,1]=4 232 B10R0.98 CC(C)C(=O)NCCC(=O)O CNP0386107.0 [0,2,0,0,0,0|1,0,0]=3 233 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,2,0,0,0,0|2,0,0]=4 234 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,0,0,1,0,0|0,0,2]=4 247 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,0,0,1,0,0|0,0,2]=4 248 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|0,0,2]=4 274 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [0,0,0,1,0,1|1,0,1]=4 275 B10R1.8 C[C@H]1CC(=O)C=C(O1)CO CNP0111565.1 [0,0,0,1,0,1|1,0,1]=4 276 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,0,0,1,0,1|1,0,0]=3 277 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,0,0,1,0,1|2,0,0]=4 278 B10R1.130 C[C@H]1C=C(C(=O)O1)CCO CNP0429763.1 [0,0,0,1,0,1|2,0,0]=4 279 B10R1.192 C[C@@H]1COC(=O)[C@H]1[C@@H](C)O CNP0272849.1 [0,0,0,1,0,1|2,0,0]=4 280 B10R1.192 C[C@H](O)C1C(=O)OC[C@@H]1C CNP0272849.2 [0,0,0,1,0,1|2,0,0]=4 281 B10R1.192 C[C@H](O)[C@@H]1C(=O)OC[C@H]1C CNP0272849.3 [0,0,0,1,0,1|2,0,0]=4 282 B10R1.34 C[C@@H]1N[C@@H]([C@@H]([C@@H]1O)O)CO CNP0200564.4 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.34 C[C@H]1N[C@@H]([C@H]([C@@H]1O)O)CO CNP0200564.1 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.34 C[C@H]1N[C@H]([C@@H]([C@H]1O)O)CO CNP0200564.3 [0,1,0,1,0,0|1,0,1]=4 285 B10R1.34 C[C@H]1N[C@H]([C@H]([C@H]1O)O)CO CNP0200564.2 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO CNP0149601.4 [0,1,0,1,0,0|1,0,0]=3 287 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO CNP0149601.5 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO CNP0149601.1 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO CNP0149601.3 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO CNP0149601.2 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.58 O=C1N[C@@H](CC1O)C(=O)O CNP0608855.1 [0,1,0,1,0,0|0,0,1]=3 292 B10R1.119 C[C@@H]1NC[C@H]([C@@H]([C@@H]1O)O)O CNP0299396.1 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.119 C[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O CNP0299396.2 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.176 O=C1C[C@H](OC[C@@H]1O)CO CNP0110363.1 [0,1,0,1,0,0|1,0,0]=3 296 B10R1.176 OC[C@@H]1C[C@@H]([C@@H](CN1)O)O CNP0346870.1 [0,1,0,1,0,0|0,0,2]=4 297 B10R1.176 OC[C@@H]1C[C@H]([C@@H](CN1)O)O CNP0346870.3 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.176 OC[C@@H]1C[C@H]([C@H](CN1)O)O CNP0346870.2 [0,1,0,1,0,0|0,0,2]=4 299 B10R1.230 O=C1C=CCO[C@@]1(O)CO CNP0271357.1 [0,1,0,1,0,0|1,0,1]=4 300 B10R1.230 O=C1C=CCO[C@]1(O)CO CNP0271357.2 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.520 O=C1C=C[C@@H]([C@@]1(O)CO)O CNP0256144.1 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.520 O=C1C=C[C@@H]([C@]1(O)CO)O CNP0256144.2 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.25 O=C[C]1CCC(CC1O)O CNP0588610.0 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.194 C[C@@H](O)[C@H]1NC[C@H]([C@H]1O)O CNP0448854.1 [0,1,0,1,0,0|0,0,2]=4 305 B10R1.118 C[C@@H]1O[C@H]([C@H](CC1=O)O)O CNP0321128.2 [0,1,0,1,0,0|1,0,0]=3 306 B10R1.118 C[C@H]1O[C@@H]([C@@H](CC1=O)O)O CNP0321128.1 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.114 C[C@]1(C(=O)NCO[C@@H]1N)O CNP0322228.1 [0,1,0,1,0,0|1,0,0]=3 308 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|1,0,0]=3 309 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|1,0,0]=3 310 B10R0.78 C[S@+]([O-])/C=C/C(=O)NCCO CNP0593716.1 [0,0,0,0,0,2|1,0,1]=4 311 B10R0.78 C[S@@+]([O-])/C=C/C(=O)NCCO CNP0593716.2 [0,0,0,0,0,2|1,0,1]=4