0 B11R0.6 CC(=CC=CC(=CC(=O)O)C)C CNP0286255.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.6 CC(=CCC=C(C)CC(=O)O)C CNP0143090.0 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.6 CC(=CCCC(=CC(=O)O)C)C CNP0281881.0 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.6 CC(=CCCC(=CC(C)O)C)C CNP0116095.0 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C CNP0402865.1 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C CNP0402865.2 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.6 CC(=CCOC(=O)C=C(C)C)C CNP0350613.0 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.6 CC(=O)C=C(C)CCC=C(C)C CNP0003286.0 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.6 CC(=O)CC(=CCC=C(C)C)C CNP0372207.0 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.6 CC(=O)OC(=CCC=C(C)C)C CNP0434676.0 [0,0,0,0,0,0|2,0,1]=3 10 B11R0.6 CC(=O)OCCC(=CC(=O)N)C CNP0112349.0 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.6 CC(=O)OCCC(=CC(=O)O)C CNP0373658.0 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C CNP0306070.1 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.6 CC(=O)O[C@H](C)CCC=C(C)C CNP0306070.2 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.3 C=C(C)CCCC(=CC=O)C CNP0211980.0 [1,0,0,0,0,0|0,0,2]=3 15 B10R0.3 C=C(CCO)CCC=C(C)C CNP0106271.0 [1,0,0,0,0,0|0,0,3]=4 16 B10R0.3 C=CC=C(C)CCC=C(C)C CNP0134363.0 [1,0,0,0,0,0|1,0,0]=2 17 B10R0.3 C=CCC(C)CCC=C(C)C CNP0086074.0 [1,0,0,0,0,0|1,0,2]=4 18 B10R0.3 CC(=CC#CC(=CC=O)C)C CNP0208098.0 [1,0,0,0,0,0|0,0,2]=3 19 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [1,0,0,0,0,0|0,0,2]=3 20 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [1,0,0,0,0,0|0,0,3]=4 21 B10R0.3 CC(=CCC=C(C)CC=O)C CNP0267301.0 [1,0,0,0,0,0|0,0,2]=3 22 B10R0.3 CC(=CCC=C(C)CCO)C CNP0086431.0 [1,0,0,0,0,0|0,0,3]=4 23 B10R0.3 CC(=CCCC(=CC#N)C)C CNP0222289.0 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.3 CC(=CCCC(=CC=O)C)C CNP0127332.0 [1,0,0,0,0,0|0,0,0]=1 25 B10R0.3 CC(=CCCC(=CCO)C)C CNP0244258.0 [1,0,0,0,0,0|0,0,1]=2 26 B10R0.3 CC(=CCCC(=CCS)C)C CNP0346825.0 [1,0,0,0,0,0|0,1,1]=3 27 B10R0.3 CC(=CCC[C@@H](C)/C=N\O)C CNP0197332.2 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [1,0,0,0,0,0|0,0,2]=3 29 B10R0.3 CC(=CCC[C@@H](C)CCO)C CNP0152105.1 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.3 CC(=CCC[C@@H](C)NC=O)C CNP0392877.1 [1,0,0,0,0,0|1,0,1]=3 31 B10R0.3 CC(=CCC[C@H](C)/C=N/O)C CNP0197332.1 [1,0,0,0,0,0|1,0,1]=3 32 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.3 CC(=CCC[C@H](C)CCO)C CNP0152105.2 [1,0,0,0,0,0|0,0,3]=4 34 B10R0.3 CC(=CCC[C@H](C)NC=O)C CNP0392877.2 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [1,0,0,0,0,0|0,0,3]=4 36 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [1,0,0,0,0,0|1,0,2]=4 37 B12R0.140 CC(=CCCC(=CC(C)(C)O)C)C CNP0280928.0 [0,1,0,0,0,0|1,0,1]=3 38 B12R0.240 CC(=CCCC(=CC(O)C=O)C)C CNP0611897.0 [0,1,0,0,0,0|0,0,1]=2 39 B12R0.240 COC(=O)C=C(C)CCC=C(C)C CNP0141739.0 [0,1,0,0,0,0|0,0,0]=1 40 B12R0.240 COC(=O)C[C@@H](C)CCC=C(C)C CNP0144792.1 [0,1,0,0,0,0|0,0,2]=3 41 B12R0.240 COC(=O)C[C@H](C)CCC=C(C)C CNP0144792.2 [0,1,0,0,0,0|0,0,2]=3 42 B12R0.241 C=C/C(=C/CC[C@H](C)CC(=O)O)/C CNP0106707.1 [0,1,0,0,0,0|0,0,3]=4 43 B12R0.241 CC(=CCCC(C)CC(=O)O)CO CNP0126398.0 [0,1,0,0,0,0|0,0,2]=3 44 B12R0.241 CCC(=CCCC(=CC(=O)O)C)C CNP0527633.0 [0,1,0,0,0,0|0,0,0]=1 45 B12R0.686 CC(=CCCC(=C(C)C(=O)O)C)C CNP0438625.0 [0,1,0,0,0,0|0,0,0]=1 46 B12R0.697 CC(=CCC[C@@](C)(O)CC(=O)O)C CNP0202436.1 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.105 CC(=CC#CC1=CC(=O)OC1)C CNP0272871.0 [0,0,0,1,0,0|0,0,2]=3 48 B12R1.105 CC(=CC=CC1=CC(=O)OC1)C CNP0243072.0 [0,0,0,1,0,0|0,0,2]=3 49 B12R1.105 CC(=CCC[C@@H]1COC(=O)C1)C CNP0119505.1 [0,0,0,1,0,0|0,0,2]=3 50 B12R1.105 CC(=CCC[C@H]1CCC(=O)O1)C CNP0542275.1 [0,0,0,1,0,0|2,0,1]=4 51 B12R1.105 CC(C)CCCC1=CC(=O)OC1 CNP0313975.0 [0,0,0,1,0,0|0,0,2]=3 52 B12R1.861 CC(=CC[C@H]1OC(=O)C[C@@H]1C)C CNP0303951.1 [0,0,0,1,0,0|0,0,2]=3 53 B12R1.861 CC(=O)CCC1OC(=O)C=C1C CNP0267510.0 [0,0,0,1,0,0|1,0,1]=3 54 B12R1.1218 CC1=CC(=O)OC(=C(C)C)CC1 CNP0203820.0 [0,0,0,1,0,0|0,0,0]=1 55 B12R1.1258 CC1=C(C(CCC1)(C)C)C(=O)O CNP0611700.0 [0,0,0,1,0,0|0,0,2]=3 56 B10R0.96 CC(=CC(=O)N)CCC(=O)O CNP0121792.0 [0,0,0,0,1,0|3,0,0]=4 57 B10R0.96 CC(=O)OCC(=CC(=O)O)C CNP0172632.0 [0,0,0,0,1,0|2,0,0]=3 58 B10R0.98 C=C(Br)C(=C)CCC=C(C)C CNP0188908.0 [0,0,0,0,1,0|2,0,1]=4 59 B10R0.98 C=C(C)C(=C)CCC=C(C)C CNP0427549.0 [0,0,0,0,1,0|2,0,1]=4 60 B10R0.98 C=C(Cl)C(=C)CCC=C(C)C CNP0379192.0 [0,0,0,0,1,0|2,0,1]=4 61 B10R0.98 CC(=CCC=C(C)C(=O)O)C CNP0318467.0 [0,0,0,0,1,0|0,0,1]=2 62 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,0,0,0,1,0|0,0,1]=2 63 B10R0.98 CC(=CCC[C@@H](C)[C@@H](C)O)C CNP0325931.3 [0,0,0,0,1,0|1,0,2]=4 64 B10R0.98 CC(=CCC[C@@H](C)[C@H](C)O)C CNP0325931.2 [0,0,0,0,1,0|1,0,2]=4 65 B10R0.98 CC(=CCC[C@H](C)[C@@H](C)O)C CNP0325931.1 [0,0,0,0,1,0|1,0,2]=4 66 B10R0.98 CC(=CCC[C@H](C)[C@H](C)O)C CNP0325931.4 [0,0,0,0,1,0|1,0,2]=4 67 B10R0.98 CC(=O)C=CC=C(C)C(=O)O CNP0156753.0 [0,0,0,0,1,0|1,0,2]=4 68 B10R0.98 CC(=O)OCC=C(C)C(=O)O CNP0107053.0 [0,0,0,0,1,0|2,0,1]=4 69 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,0,0,0,1,0|0,0,3]=4 70 B12R0.44 CC(=CCCC(=CC=C(Br)Br)C)C CNP0081219.0 [0,0,0,0,0,1|2,0,0]=3 71 B12R0.44 CC(=CCCC(=NNC(=O)N)C)C CNP0123715.0 [0,0,0,0,0,1|2,0,0]=3 72 B12R0.44 CC(=CCCC(C)CCC(=O)O)C CNP0572331.0 [0,0,0,0,0,1|0,0,2]=3 73 B12R0.44 CC(=O)CC=C(C)CCC=C(C)C CNP0460160.0 [0,0,0,0,0,1|1,0,0]=2 74 B12R0.44 CC(=O)OC=C(C)CCC=C(C)C CNP0086373.0 [0,0,0,0,0,1|1,0,0]=2 75 B9R0.1 C=CC(=C)CCC=C(C)C CNP0241365.0 [2,0,0,0,0,0|0,0,1]=3 76 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [2,0,0,0,0,0|0,0,1]=3 77 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [2,0,0,0,0,0|0,0,1]=3 78 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [2,0,0,0,0,0|0,0,1]=3 79 B9R0.1 CC(=CCCC(=NO)C)C CNP0212502.0 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [2,0,0,0,0,0|0,0,1]=3 81 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [2,0,0,0,0,0|0,0,2]=4 82 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [2,0,0,0,0,0|0,0,1]=3 83 B9R0.1 CC=C(C)CCC=C(C)C CNP0355870.0 [2,0,0,0,0,0|0,0,1]=3 84 B9R0.2 C=CC=CCCC=C(C)C CNP0185816.0 [2,0,0,0,0,0|1,0,0]=3 85 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [2,0,0,0,0,0|0,0,2]=4 86 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [2,0,0,0,0,0|0,0,0]=2 87 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,2]=4 88 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [2,0,0,0,0,0|1,0,1]=4 89 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [2,0,0,0,0,0|0,0,1]=3 90 B11R0.45 CC(=CCCC(=CC=O)C=O)C CNP0296885.0 [1,1,0,0,0,0|0,0,1]=3 91 B11R0.45 CC(=CCCC(=CCCl)CCl)C CNP0218953.0 [1,1,0,0,0,0|1,0,1]=4 92 B11R0.45 CC(=CCCC(=CCO)C=O)C CNP0285397.0 [1,1,0,0,0,0|0,0,2]=4 93 B11R0.45 CC(=CCCC(=CCO)CO)C CNP0331630.0 [1,1,0,0,0,0|0,0,1]=3 94 B11R0.59 CC(=CC[C@@H](O)/C(=C/CO)/C)C CNP0222648.2 [1,1,0,0,0,0|0,0,1]=3 95 B11R0.59 CC(=CC[C@H](O)/C(=C/CO)/C)C CNP0222648.1 [1,1,0,0,0,0|0,0,1]=3 96 B11R0.104 CC(=CCCC(C)(O)C=CO)C CNP0554020.0 [1,1,0,0,0,0|0,0,1]=3 97 B11R0.104 CC(=CCCC(C)(O)CC=O)C CNP0525383.0 [1,1,0,0,0,0|0,0,2]=4 98 B11R0.141 C=C(C)C(=O)CCC(=CCO)C CNP0611341.0 [1,1,0,0,0,0|0,0,2]=4 99 B11R0.145 C=C(C=O)C(C)CCC=C(C)C CNP0611702.0 [1,1,0,0,0,0|0,0,1]=3 100 B11R0.145 CC(=CCCC(=C(C)CO)C)C CNP0604483.0 [1,1,0,0,0,0|0,0,1]=3 101 B11R0.147 CC(=CCCC(=CCCO)C)C CNP0346393.0 [1,1,0,0,0,0|0,0,1]=3 102 B11R0.147 COCC=C(C)CCC=C(C)C CNP0517198.0 [1,1,0,0,0,0|0,0,1]=3 103 B11R0.174 CC(=CCCC(=CC=O)C)C=O CNP0029361.0 [1,1,0,0,0,0|0,0,1]=3 104 B11R0.174 CC(=CCCC(=CC=O)C)CO CNP0245895.0 [1,1,0,0,0,0|0,0,0]=2 105 B11R0.174 CC(=CCCC(=CCO)C)C=O CNP0183503.0 [1,1,0,0,0,0|0,0,2]=4 106 B11R0.174 CC(=CCCC(=CCO)C)CO CNP0284436.0 [1,1,0,0,0,0|0,0,1]=3 107 B11R0.174 CC(=CCCC(C)CC=O)CO CNP0506134.0 [1,1,0,0,0,0|0,0,2]=4 108 B11R0.150 C=C(CC=C(C)C(=O)O)C(C)C CNP0035097.0 [0,1,0,0,1,0|0,0,2]=4 109 B13R0.615 CC(=C[C@@H](C)C[C@@H](C)/C=C/C(=O)O)C CNP0444347.3 [0,1,0,0,0,1|0,0,1]=3 110 B13R0.615 CC(=C[C@@H](C)C[C@H](C)/C=C/C(=O)O)C CNP0444347.1 [0,1,0,0,0,1|0,0,1]=3 111 B13R0.615 CC(=C[C@H](C)C[C@@H](C)/C=C/C(=O)O)C CNP0444347.4 [0,1,0,0,0,1|0,0,1]=3 112 B13R0.615 CC(=C[C@H](C)C[C@H](C)/C=C/C(=O)O)C CNP0444347.2 [0,1,0,0,0,1|0,0,1]=3 113 B13R0.416 C/C(=C\C(=O)O)/CC[C@H](O)C(C)(C)O CNP0259603.1 [0,2,0,0,0,0|0,0,2]=4 114 B13R0.416 CC(=CC(=O)O)CCC(=O)C(C)(C)O CNP0539483.0 [0,2,0,0,0,0|0,0,1]=3 115 B13R0.331 CC(=CCCC(=CC(=CCO)C)C)C CNP0500595.0 [0,2,0,0,0,0|1,0,0]=3 116 B13R0.331 CCOC(=O)C=C(C)CCC=C(C)C CNP0190103.0 [0,2,0,0,0,0|0,0,0]=2 117 B13R0.331 CCOC(=O)CC(=CCC=C(C)C)C CNP0095113.0 [0,2,0,0,0,0|0,0,2]=4 118 B13R0.605 COC(C=C(C)CCC=C(C)C)OC CNP0301930.0 [0,2,0,0,0,0|0,0,2]=4 119 B13R0.1592 C=CC(C)(CCC=C(C)C)CC(=O)O CNP0520897.0 [0,2,0,0,0,0|0,0,2]=4 120 B11R1.64 C=C(C)C1CCC(=C1C=O)C CNP0239570.0 [1,0,0,1,0,0|0,0,2]=4 121 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [1,0,0,1,0,0|0,0,1]=3 122 B11R1.90 CC(=CCC1=C(C=CS1)C)C CNP0298862.0 [1,0,0,1,0,0|0,1,1]=4 123 B11R1.90 CC(=CC[C@@H]1OCC=C1C)C CNP0194798.1 [1,0,0,1,0,0|0,0,1]=3 124 B11R1.90 CC(=CC[C@H]1OCC=C1C)C CNP0194798.2 [1,0,0,1,0,0|0,0,1]=3 125 B11R1.157 CC(=C[C@@H]1CC(=CCO1)C)C CNP0171997.2 [1,0,0,1,0,0|0,0,1]=3 126 B11R1.157 CC(=C[C@H]1CC(=CCO1)C)C CNP0171997.1 [1,0,0,1,0,0|0,0,1]=3 127 B11R1.166 C=C(C)[C@@H]1CCC(=CC1=O)C CNP0217208.1 [1,0,0,1,0,0|0,0,2]=4 128 B11R1.166 C=C(C)[C@H]1CCC(=CC1=O)C CNP0217208.2 [1,0,0,1,0,0|0,0,2]=4 129 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [1,0,0,1,0,0|0,0,2]=4 130 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [1,0,0,1,0,0|0,0,2]=4 131 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CNP0331919.0 [1,0,0,1,0,0|0,0,0]=2 132 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C CNP0256270.1 [1,0,0,1,0,0|0,0,2]=4 133 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C CNP0256270.2 [1,0,0,1,0,0|0,0,2]=4 134 B11R1.166 CC1=CC(C(=C(C)C)CC1)O CNP0610425.0 [1,0,0,1,0,0|0,0,1]=3 135 B11R1.166 CC1=C[C@@H](C(=C(C)C)CC1)O CNP0610425.1 [1,0,0,1,0,0|0,0,1]=3 136 B11R1.172 CC(=CCCC1=COC=C1)C CNP0209969.0 [1,0,0,1,0,0|0,0,1]=3 137 B11R1.172 CC(=CCCC1=CSC=C1)C CNP0148788.0 [1,0,0,1,0,0|0,1,1]=4 138 B11R1.342 CC1(CCCC(=CC=O)C1)C CNP0143280.0 [1,0,0,1,0,0|0,0,2]=4 139 B11R1.424 CC1=C(C(C=CC1)(C)C)C=O CNP0038929.0 [1,0,0,1,0,0|0,0,2]=4 140 B11R1.424 CC1=C(C(CCC1)(C)C)C=O CNP0108027.0 [1,0,0,1,0,0|0,0,2]=4 141 B11R1.424 [13CH3][13C]1=[13C]([13C]([13CH2][13CH2][13CH2]1)([13CH3])[13CH3])[13CH]=O CNP0520746.0 [1,0,0,1,0,0|0,0,2]=4 142 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [1,0,0,1,0,0|0,0,2]=4 143 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [1,0,0,1,0,0|2,0,0]=4 144 B11R1.74 CC1=CC(=O)CC(C1)C(C)C CNP0270583.0 [0,0,0,1,1,0|1,0,1]=4 145 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,0,0,1,1,0|0,0,2]=4 146 B11R1.21 CC(=C1CCC(C(=O)C1)C)C CNP0497643.0 [0,0,0,1,1,0|1,0,1]=4 147 B11R1.21 CC1=C(C=C(CC1)C(C)C)O CNP0605783.0 [0,0,0,1,1,0|1,0,1]=4 148 B11R1.175 CC(=O)C1=CCC(=C(C)C)C1 CNP0199541.0 [0,0,0,1,1,0|1,0,1]=4 149 B13R1.2814 CC1=C(C(C[C@@H](C1)O)(C)C)C(=O)O CNP0498956.1 [0,1,0,1,0,0|0,0,2]=4 150 B13R1.3531 CC1=CC(=O)O[C@H](CC1)C(C)(C)O CNP0292459.1 [0,1,0,1,0,0|0,0,2]=4 151 B13R1.1814 COC(=O)C1=C(CC[C@@H]1C(C)C)C CNP0152914.1 [0,1,0,1,0,0|0,0,2]=4 152 B13R1.132 CC(=O)/C=C(\C)/[C@@H]1CC=C(CC1)C CNP0176423.2 [0,1,0,1,0,0|1,0,0]=3 153 B13R1.132 CC(=O)/C=C(\C)/[C@H]1CC=C(CC1)C CNP0176423.1 [0,1,0,1,0,0|1,0,0]=3 154 B13R1.132 CC1=CC[C@@H](CC1)/C(=C/C(=O)O)/C CNP0357511.1 [0,1,0,1,0,0|0,0,0]=2 155 B13R1.898 CC1=C(C(CC[C@@H]1O)(C)C)C(=O)O CNP0420205.2 [0,1,0,1,0,0|0,0,2]=4 156 B13R1.898 CC1=C(C(CC[C@H]1O)(C)C)C(=O)O CNP0420205.1 [0,1,0,1,0,0|0,0,2]=4 157 B13R2.5151 CC1=C2C(=O)OC[C@@H]([C@H]2CC1)C CNP0247431.1 [0,0,0,2,0,0|0,0,2]=4 158 B13R2.5151 CC1=C2C(=O)OC[C@H]([C@@H]2CC1)C CNP0247431.3 [0,0,0,2,0,0|0,0,2]=4 159 B13R2.5151 CC1=C2C(=O)OC[C@H]([C@H]2CC1)C CNP0247431.2 [0,0,0,2,0,0|0,0,2]=4 160 B13R2.5151 CC1=COC(=O)C2=C(CC[C@H]12)C CNP0143762.1 [0,0,0,2,0,0|0,0,2]=4 161 B13R2.5151 CC1=COC(=O)C2=C1CC[C@@H]2C CNP0364316.1 [0,0,0,2,0,0|0,0,2]=4 162 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [1,0,0,0,1,0|1,0,1]=4 163 B9R0.55 CC(=CCCC=C(C)C)C CNP0076355.0 [1,0,0,0,1,0|2,0,0]=4 164 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [1,0,0,0,1,0|1,0,1]=4 165 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [1,0,0,0,1,0|2,0,0]=4 166 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [1,0,0,0,1,0|2,0,0]=4 167 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,0,0,0,2,0|1,0,1]=4 168 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,0,0,0,2,0|1,0,1]=4 169 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,0,0,0,2,0|2,0,0]=4 170 B13R0.182 CC(=O)C=CCCC(=O)C=CC(=O)O CNP0245450.0 [0,0,0,0,0,2|2,0,0]=4 171 B13R0.1398 C=C(C)OCC=C(C)CCC=C(C)C CNP0265101.0 [0,0,0,0,0,2|2,0,0]=4 172 B13R0.1398 CC(=CCC/C(=C/CC[C@@H](C)O)/C)C CNP0168723.1 [0,0,0,0,0,2|1,0,1]=4 173 B13R0.1398 CC(=CCC/C(=C/CC[C@H](C)O)/C)C CNP0168723.2 [0,0,0,0,0,2|1,0,1]=4 174 B13R0.1398 CC(=CCCC(=CCCC(=O)O)C)C CNP0587564.0 [0,0,0,0,0,2|0,0,0]=2 175 B13R0.1398 CC(=CCCC(=CCN=C(N)N)C)C CNP0166436.0 [0,0,0,0,0,2|2,0,0]=4 176 B13R0.1398 CC(=CCCC(=CCNC(=N)N)C)C CNP0537532.0 [0,0,0,0,0,2|2,0,0]=4 177 B13R0.1398 CC(=CCCC(C)CCCC(=O)O)C CNP0536242.0 [0,0,0,0,0,2|0,0,2]=4 178 B13R0.1398 CC(=O)C=CC=C(C)CCC=C(C)C CNP0137850.0 [0,0,0,0,0,2|1,0,0]=3 179 B13R0.1398 CC(=O)CCC=C(C)CCC=C(C)C CNP0288544.0 [0,0,0,0,0,2|1,0,0]=3 180 B13R0.1398 CC(=O)OCC=C(C)CCC=C(C)C CNP0301697.0 [0,0,0,0,0,2|1,0,0]=3