0 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,0,0,0,0,0|1,0,1]=2 18 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,0,0,0,0,0|0,0,0]=0 19 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,0,0,0,0,0|0,0,0]=0 22 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.3 CCSSC(C)CC CNP0075907.0 [1,0,0,0,0,0|1,1,0]=3 36 B7R0.3 CCSSC(C)SC CNP0003141.0 [1,0,0,0,0,0|2,1,0]=4 37 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [1,0,0,0,0,0|2,1,0]=4 38 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,0,0,0,0|0,0,0]=1 52 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [1,0,0,0,0,0|1,1,1]=4 59 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|0,0,2]=3 62 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|0,0,2]=3 65 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|0,0,0]=1 68 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|0,1,0]=2 69 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,0,0,0,0|1,1,1]=4 72 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|1,0,0]=2 79 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,0,0,0,0|0,0,2]=3 83 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,0,0,0,0,0|0,0,2]=3 84 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,0,0,0,0,0|0,0,2]=3 85 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,0,0,0,0,0|0,0,0]=1 88 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,0,0,0,0,0|0,0,0]=1 89 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [1,0,0,0,0,0|1,1,1]=4 91 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,0,0,0,0,0|0,0,0]=1 92 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [1,0,0,0,0,0|0,0,2]=3 94 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,0,0,0,0,0|0,0,0]=1 95 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,0,0,0,0,0|1,0,0]=2 97 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,0,0,0,0,0|3,0,0]=4 107 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,0,0,0,0|0,0,2]=3 109 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [0,1,0,0,0,0|1,0,2]=4 111 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,0,0,0,0|1,0,1]=3 114 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,0,0|0,0,1]=2 116 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,1,0,0,0,0|0,0,0]=1 117 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,0,0,0,0|1,0,0]=2 119 B9R0.8 C=CCOC(=O)C(=CC)C CNP0002799.0 [0,1,0,0,0,0|0,0,3]=4 120 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,0,0,0,0|0,0,2]=3 121 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,1,0,0,0,0|1,0,2]=4 123 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,1,0,0,0,0|1,0,2]=4 124 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|0,0,0]=1 125 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,1,0,0,0,0|0,1,0]=2 126 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [0,1,0,0,0,0|0,0,0]=1 127 B9R0.23 CC=C(C)C(=O)OC(C)C CNP0322856.0 [0,1,0,0,0,0|0,0,2]=3 128 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [0,1,0,0,0,0|0,0,0]=1 130 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,1,0,0,0,0|2,0,0]=3 132 B9R0.27 CCC(C)C(=O)C(C)CC CNP0499224.0 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,1,0,0,0,0|0,0,1]=2 134 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [0,1,0,0,0,0|0,0,2]=3 135 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,1,0,0,0,0|0,0,1]=2 136 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,1,0,0,0,0|0,0,1]=2 137 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,1,0,0,0,0|1,0,2]=4 140 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,1,0,0,0,0|0,0,0]=1 141 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,1,0,0,0,0|1,0,1]=3 142 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,1,0,0,0,0|1,0,0]=2 143 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.37 CCCC(O)C(CC)CO CNP0300042.0 [0,1,0,0,0,0|1,0,2]=4 145 B9R0.37 CCOC(=O)C(=NO)SC CNP0076990.0 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.37 CCOC(=O)C(CC)CC CNP0165107.0 [0,1,0,0,0,0|0,0,0]=1 147 B9R0.37 CCOC(=O)[C@@H](CC)NC CNP0599736.1 [0,1,0,0,0,0|0,0,0]=1 148 B9R0.37 CCOC(=O)[C@H](CC)NC CNP0599736.2 [0,1,0,0,0,0|0,0,0]=1 149 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,0,0,1,0,0|1,0,2]=4 151 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,1,0,0|2,0,1]=4 153 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,0,0,1,0,0|3,0,0]=4 155 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,0]=2 160 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|0,0,0]=1 161 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.11 CCC(C)C1=COCC1 CNP0578836.0 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.11 CCC(C)C1OCCO1 CNP0407840.0 [0,0,0,1,0,0|0,0,2]=3 164 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [0,0,0,1,0,0|1,1,0]=3 165 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|1,0,0]=2 166 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|2,0,0]=3 169 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,0,0,1,0,0|3,0,0]=4 171 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,0,0,1,0,0|1,0,2]=4 174 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,0,0,1,0,0|1,0,2]=4 175 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,0,0,1,0,0|1,0,2]=4 176 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,0,0,1,0,0|1,0,2]=4 177 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,0,0,1,0,0|1,0,2]=4 178 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,0,0,1,0,0|1,0,2]=4 179 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,0,0,1,0,0|0,0,2]=3 180 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,0,0,1,0,0|1,0,2]=4 181 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,0,0,1,0,0|1,0,1]=3 182 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,0,0,1,0,0|2,0,1]=4 183 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,0,0,1,0,0|2,0,0]=3 185 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,0,0,1,0,0|2,0,0]=3 186 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,0,0,1,0,0|1,0,0]=2 187 B9R1.37 C[C@H]1[C@@H]([C@H](C[C@@H]1C)C)C CNP0315068.1 [0,0,0,1,0,0|2,0,1]=4 188 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,0,0,1,0,0|2,0,1]=4 189 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,0,1,0,0|0,0,0]=1 190 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,0,1,0,0|0,0,0]=1 191 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,0,1,0,0|0,0,0]=1 192 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,0,0|2,0,1]=4 193 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [0,0,0,1,0,0|1,0,0]=2 194 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,0,1,0,0|2,0,1]=4 195 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|1,0,0]=2 196 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,0,0,1,0,0|0,0,0]=1 197 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [0,0,0,1,0,0|0,1,0]=2 198 B9R1.202 COC1(SCCC1=O)C CNP0064868.0 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [0,0,0,1,0,0|2,0,0]=3 200 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,0,0,0,0,1|1,0,0]=2 201 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,0,0,0,0,1|2,0,1]=4 202 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,0,0,0,0,1|1,0,0]=2 203 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,0,0,0,0,1|1,0,0]=2 204 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,0,0,0,0,1|0,0,0]=1 205 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,2]=4 207 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 211 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.1 CCC(C)C=NO CNP0605626.0 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.1 CCC(C)OC=O CNP0570369.0 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.1 CCC(C)ON=O CNP0521211.0 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.1 CCC=C(C)CO CNP0511576.0 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,0]=2 219 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 221 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 222 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|0,0,1]=3 223 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,2]=4 226 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|0,0,1]=3 227 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [2,0,0,0,0,0|1,0,1]=4 229 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,2]=4 230 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 234 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|0,0,0]=2 237 B6R0.1 CCOC(C)OC CNP0612171.0 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 240 B6R0.1 CCSC(C)SC CNP0611888.0 [2,0,0,0,0,0|1,1,0]=4 241 B6R0.1 CCSC(S)CC CNP0488688.0 [2,0,0,0,0,0|1,1,0]=4 242 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [2,0,0,0,0,0|1,1,0]=4 244 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 249 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|0,1,1]=4 254 B6R0.4 CCSSC(C)C CNP0003135.0 [2,0,0,0,0,0|1,1,0]=4 255 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|1,1,0]=4 262 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [2,0,0,0,0,0|0,0,2]=4 265 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|0,0,2]=4 267 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [2,0,0,0,0,0|0,0,2]=4 268 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [2,0,0,0,0,0|0,0,2]=4 273 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [2,0,0,0,0,0|0,0,2]=4 274 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [2,0,0,0,0,0|0,0,0]=2 278 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [2,0,0,0,0,0|1,0,0]=3 282 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [2,0,0,0,0,0|1,0,0]=3 283 B6R0.3 CCC(O)C(C)C CNP0265736.0 [2,0,0,0,0,0|0,0,2]=4 284 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.3 CCC(S)C(C)C CNP0611989.0 [2,0,0,0,0,0|0,1,1]=4 286 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|0,0,0]=2 287 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|1,0,0]=3 288 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|1,0,0]=3 289 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|0,0,0]=2 290 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [2,0,0,0,0,0|0,0,2]=4 291 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [2,0,0,0,0,0|0,0,2]=4 292 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [2,0,0,0,0,0|1,0,0]=3 295 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|0,0,0]=2 296 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|1,0,0]=3 298 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|0,0,0]=2 299 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [2,0,0,0,0,0|1,0,0]=3 302 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.3 COC(=O)C(C)C CNP0354997.0 [2,0,0,0,0,0|0,0,0]=2 309 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.3 COC(=S)C(C)C CNP0507266.0 [2,0,0,0,0,0|0,1,0]=3 315 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [2,0,0,0,0,0|1,0,0]=3 320 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [2,0,0,0,0,0|2,0,0]=4 327 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [2,0,0,0,0,0|2,0,0]=4 333 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [2,0,0,0,0,0|2,0,0]=4 334 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [2,0,0,0,0,0|1,0,1]=4 341 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.1 CCSSC(C)SCC CNP0380817.0 [1,1,0,0,0,0|1,1,0]=4 344 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.6 CCCSSC(C)CC CNP0570615.0 [1,1,0,0,0,0|1,1,0]=4 347 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.6 COC(C)COCCCl CNP0537294.0 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [1,1,0,0,0,0|0,0,2]=4 356 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [1,1,0,0,0,0|0,0,2]=4 357 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.11 CCSSC(CC)SC CNP0002633.0 [1,1,0,0,0,0|1,1,0]=4 361 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 365 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [1,1,0,0,0,0|1,0,0]=3 368 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [1,1,0,0,0,0|1,0,0]=3 370 B8R0.14 CCOC(=O)C(Br)(Br)Br CNP0194648.0 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [1,1,0,0,0,0|0,0,0]=2 372 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [1,1,0,0,0,0|1,0,1]=4 374 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,1,0,0,0,0|2,0,0]=4 375 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [1,1,0,0,0,0|0,0,0]=2 376 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|1,0,0]=3 379 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,1,0,0,0,0|0,0,0]=2 380 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,1,0,0,0,0|0,0,2]=4 381 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|0,0,1]=3 382 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|0,0,0]=2 385 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,1,0,0,0,0|0,0,0]=2 386 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,1,0,0,0,0|0,0,0]=2 387 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|0,0,0]=2 388 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|0,0,0]=2 389 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,1,0,0,0,0|1,0,0]=3 390 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,1,0,0,0,0|1,0,0]=3 391 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [1,1,0,0,0,0|1,1,0]=4 392 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|1,0,0]=3 393 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [1,1,0,0,0,0|2,0,0]=4 396 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [1,1,0,0,0,0|2,0,0]=4 398 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [1,1,0,0,0,0|2,0,0]=4 399 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [1,1,0,0,0,0|0,0,0]=2 401 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [1,1,0,0,0,0|0,0,0]=2 402 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [1,1,0,0,0,0|1,0,0]=3 403 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [1,1,0,0,0,0|1,0,0]=3 404 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [1,1,0,0,0,0|0,0,0]=2 405 B8R0.20 CCC(CC)[C@@H](C)CC CNP0193846.1 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [1,1,0,0,0,0|0,0,0]=2 407 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,1,0,0,0,1|1,0,1]=4 408 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,1,0,0,0,1|1,0,0]=3 409 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,1,0,0,0,1|1,0,0]=3 410 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,1,0,0,0,1|1,0,1]=4 411 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,1,0,0,0,1|1,0,1]=4 412 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,1,0,0,0,1|0,0,0]=2 413 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,1,0,0,0,1|1,0,1]=4 414 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,1,0,0,0,1|0,0,1]=3 415 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,1|1,0,1]=4 416 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,1,0,0,0,1|0,0,0]=2 417 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,1,0,0,0,1|1,0,1]=4 418 B10R0.44 CC[C@@H](C)SC(=O)C=C(C)C CNP0157491.1 [0,1,0,0,0,1|1,0,1]=4 419 B10R0.44 CC[C@@H](C)SC(=O)CC(C)C CNP0382441.1 [0,1,0,0,0,1|1,0,0]=3 420 B10R0.46 CCC(=O)/C(=C/[C@@H](C)CC)/C CNP0207497.1 [0,1,0,0,0,1|2,0,0]=4 421 B10R0.46 CC[C@@H](C)SC(=O)[C@H](C)CC CNP0265928.1 [0,1,0,0,0,1|1,0,0]=3 422 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,2,0,0,0,0|1,0,1]=4 423 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,2,0,0,0,0|1,0,1]=4 424 B10R0.36 CCOC(=O)C(C)(C)C(C)O CNP0562929.0 [0,2,0,0,0,0|0,0,0]=2 425 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|1,0,0]=3 426 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|1,0,0]=3 428 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|1,0,0]=3 429 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|1,0,0]=3 430 B10R0.19 N[C@@H](CCO)C(=O)NCCO CNP0123433.1 [0,2,0,0,0,0|2,0,0]=4 431 B10R0.21 C=CCOC(=O)C(CC)CC CNP0215688.0 [0,2,0,0,0,0|0,0,1]=3 432 B10R0.57 C=C(C)COC(=O)C(=CC)C CNP0568827.0 [0,2,0,0,0,0|0,0,2]=4 433 B10R0.57 C=C(C)COC(=O)[C@@H](C)OO CNP0352038.1 [0,2,0,0,0,0|2,0,0]=4 434 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,2,0,0,0,0|0,0,2]=4 435 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [0,2,0,0,0,0|1,0,1]=4 436 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,2,0,0,0,0|0,0,0]=2 437 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|0,0,2]=4 438 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|0,0,0]=2 439 B10R0.33 CCCC(=NO)C(=O)OCC CNP0134909.0 [0,2,0,0,0,0|1,0,1]=4 440 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|1,0,0]=3 441 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|1,0,0]=3 442 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|0,0,0]=2 443 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,2,0,0,0,0|0,0,1]=3 444 B10R0.49 CCO[P@@](=O)(O)N(CC)CC CNP0576584.1 [0,2,0,0,0,0|2,0,0]=4 445 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|2,0,0]=4 446 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,1]=4 447 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,1]=4 448 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 450 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,1]=4 451 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,0]=3 453 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|2,0,0]=4 455 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [1,0,0,1,0,0|0,1,1]=4 458 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [1,0,0,1,0,0|1,0,1]=4 460 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|1,0,1]=4 461 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|1,0,1]=4 463 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [1,0,0,1,0,0|1,0,1]=4 467 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [1,0,0,1,0,0|0,0,2]=4 469 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,0,0,1,0,0|0,0,2]=4 470 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,0,0,1,0,0|0,0,2]=4 471 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,1,0,0|1,0,1]=4 472 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,0,0,1,0,0|1,0,0]=3 473 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,0,0,1,0,0|2,0,0]=4 474 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,1,0,0|0,0,0]=2 475 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|1,0,1]=4 478 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,1,0,0|0,0,2]=4 479 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|1,0,1]=4 481 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|0,0,0]=2 483 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 484 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 485 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,0]=2 486 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 487 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,0]=2 489 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,1,0,0|1,1,0]=4 490 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|1,0,1]=4 491 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,1,0,0|1,0,1]=4 493 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|1,0,1]=4 495 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|1,0,1]=4 498 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [1,0,0,1,0,0|1,0,0]=3 501 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,0,0,1,0,1|1,0,0]=3 502 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,0,0,1,0,1|1,0,0]=3 503 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,1,0,1|2,0,0]=4 504 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,1,0,1|2,0,0]=4 505 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.34 NC[C@@H]1OC(=O)[C@@H]([C@H]1N)N CNP0242874.1 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO CNP0149601.4 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO CNP0149601.5 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO CNP0149601.1 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO CNP0149601.3 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO CNP0149601.2 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|1,0,0]=3 513 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,1,0,1,0,0|2,0,0]=4 514 B10R1.61 CC1=C(CCCO1)C(C)C CNP0344846.0 [0,1,0,1,0,0|1,0,1]=4 515 B10R1.291 CC(=O)[C@@]1(CCOC1=O)C CNP0364399.2 [0,1,0,1,0,0|0,0,1]=3 516 B10R1.291 CC(=O)[C@]1(CCOC1=O)C CNP0364399.1 [0,1,0,1,0,0|0,0,1]=3 517 B10R1.339 C=C1C[C@H](C([C@H]1C)(C)C)C CNP0483236.1 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,0]=2 520 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [0,1,0,1,0,0|1,0,1]=4 521 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [0,1,0,1,0,0|1,0,1]=4 523 B10R1.271 CC1=C([C@@](OC1=O)(C)O)C CNP0259444.1 [0,1,0,1,0,0|0,0,2]=4 524 B10R1.191 CC1=C(C(=O)[C@@H]([C@H]1C)C)O CNP0291420.1 [0,1,0,1,0,0|1,0,1]=4 525 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|0,0,0]=2 526 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|0,0,0]=2 527 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|0,0,1]=3 528 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|0,0,0]=2 529 B10R1.130 C[C@H]1C=C(C(=O)O1)CCO CNP0429763.1 [0,1,0,1,0,0|0,0,2]=4 530 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,2,0,0|2,0,0]=4 531 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4 532 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 533 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 534 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,0,0,0,0,2|1,0,0]=3