0 B9R0.53 CC(=CC(=O)C=C(C)C)C CNP0357459.0 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.53 CC(=CC(=O)SC(C)C)C CNP0219971.0 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.53 CC(C)CC(C)CC(C)C CNP0076048.0 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.53 CC(C)CC(O)CC(C)C CNP0003532.0 [0,0,0,0,0,0|0,0,2]=2 9 B9R0.53 CC(C)NC(=N)NC(C)C CNP0566006.0 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.53 CC(C)NC(=O)NC(C)C CNP0313716.0 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.53 CC(C)OC(C)OC(C)C CNP0324928.0 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.53 CC(C)OP(=O)OC(C)C CNP0511332.0 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,0,0,0,0,0|0,0,0]=1 18 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [1,0,0,0,0,0|2,1,0]=4 31 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,0,0,0,0,0|0,0,3]=4 32 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,0,0,0,0,0|0,0,1]=2 35 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.28 CC(C)N=C=NC(C)C CNP0254661.0 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.28 CC(C)SSSC(C)C CNP0350713.0 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,1,0,0,0,0|2,0,1]=4 44 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.44 C=CC(=C)CC(=O)CC(C)C CNP0179446.0 [0,1,0,0,0,0|0,0,3]=4 46 B10R0.44 C=CC(=CC(=O)CC(C)C)C CNP0231823.0 [0,1,0,0,0,0|0,0,3]=4 47 B10R0.44 C=C[C@@H](C)CC(=O)CC(C)C CNP0350392.1 [0,1,0,0,0,0|0,0,1]=2 48 B10R0.44 C=C[C@H](C)CC(=O)CC(C)C CNP0350392.2 [0,1,0,0,0,0|0,0,1]=2 49 B10R0.44 CCC(C)CC(=O)C=C(C)C CNP0609623.0 [0,1,0,0,0,0|0,0,2]=3 50 B10R0.44 CC[C@@H](C)SC(=O)C=C(C)C CNP0157491.1 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.44 CC[C@@H](C)SC(=O)CC(C)C CNP0382441.1 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.44 CC[C@H](C)C[C@H](C)CC(C)C CNP0312404.1 [0,1,0,0,0,0|1,0,1]=3 53 B10R0.44 CSC(=CC(=O)SC(C)C)C CNP0610500.0 [0,1,0,0,0,0|1,0,2]=4 54 B10R0.165 CC(C)OP(=O)(C)OC(C)C CNP0077258.0 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.329 C=C1C=C(CC(C1)(C)C)C CNP0130960.0 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.329 CC1(CC(=O)C=C(C1)O)C CNP0462432.0 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.329 CC1(CC(=O)CC(=O)C1)C CNP0566053.0 [0,0,0,1,0,0|1,0,1]=3 58 B10R1.329 CC1=CC(=O)CC(C1)(C)C CNP0196251.0 [0,0,0,1,0,0|0,0,2]=3 59 B10R1.329 CC1=CC(=O)OC(C1)(C)C CNP0077000.0 [0,0,0,1,0,0|1,0,2]=4 60 B10R1.329 CC1=CC(CC(=O)C1)(C)C CNP0135841.0 [0,0,0,1,0,0|0,0,2]=3 61 B10R1.329 CC1=C[C@@H](CC(C1)(C)C)O CNP0077291.2 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.329 CC1=C[C@H](CC(C1)(C)C)O CNP0077291.1 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.329 CC1CC(CC(C1)(C)C)O CNP0003654.0 [0,0,0,1,0,0|0,0,2]=3 64 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,0,0,1,0,0|0,0,0]=1 65 B10R1.329 C[C@@]1(CC(=O)O[C@H](C1)O)O CNP0293170.1 [0,0,0,1,0,0|3,0,0]=4 66 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,1,0|1,0,1]=3 67 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,0,0,0,1,0|1,0,1]=3 68 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,0,0,0,1,0|2,0,1]=4 69 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,1,0|2,0,1]=4 70 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,0,0,1,0|1,0,0]=2 71 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,0,0,0,1,0|1,0,1]=3 72 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,0,0,0,1,0|1,0,0]=2 73 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,0,0,0,1,0|2,0,0]=3 74 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,0,0,0,0,1|1,0,1]=3 75 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [0,0,0,0,0,1|0,0,1]=2 76 B10R0.96 CC(C)CC(=O)NCC(=O)O CNP0207580.0 [0,0,0,0,0,1|2,0,1]=4 77 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,0,0,0,0,1|0,0,0]=1 78 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,0,0,0,0,1|0,0,0]=1 79 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [2,0,0,0,0,0|0,0,0]=2 82 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.4 CC(C)CCCCO CNP0497904.0 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|0,0,1]=3 97 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|1,0,1]=4 99 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|1,0,0]=3 104 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.4 CCCSSC(C)C CNP0309421.0 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|1,0,1]=4 107 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [2,0,0,0,0,0|0,0,2]=4 109 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|1,0,0]=3 110 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|0,0,2]=4 111 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|1,0,1]=4 112 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|0,0,0]=2 113 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|1,1,0]=4 115 B7R0.7 CCCC(C)CCC CNP0137963.0 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.7 CCCC(O)CCC CNP0407378.0 [2,0,0,0,0,0|0,0,2]=4 117 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|2,0,0]=4 121 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [1,1,0,0,0,0|0,0,2]=4 122 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,1,0,0,0,0|0,0,2]=4 123 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 124 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|1,0,0]=3 125 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,1,0,0,0,0|0,0,2]=4 126 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,1,0,0,0,0|0,0,2]=4 127 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|0,0,0]=2 128 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [1,1,0,0,0,0|2,0,0]=4 130 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [1,1,0,0,0,0|1,0,0]=3 131 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [1,1,0,0,0,0|1,0,0]=3 132 B9R0.14 CCCC(CO)CC(C)C CNP0076276.0 [1,1,0,0,0,0|0,0,2]=4 133 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [1,1,0,0,0,0|0,0,1]=3 134 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [1,1,0,0,0,0|1,0,0]=3 135 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [1,1,0,0,0,0|1,0,1]=4 136 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [1,1,0,0,0,0|1,0,0]=3 137 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [1,1,0,0,0,0|1,0,1]=4 138 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|1,0,0]=3 139 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|2,0,0]=4 140 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|1,0,0]=3 141 B9R0.44 CCCC(C)CC(C)(C)C CNP0003380.0 [1,1,0,0,0,0|1,0,1]=4 142 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [1,1,0,0,0,0|1,0,0]=3 143 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [1,1,0,0,0,0|0,0,2]=4 144 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [1,1,0,0,0,0|0,0,2]=4 145 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [1,1,0,0,0,0|0,0,1]=3 146 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [1,1,0,0,0,0|0,0,2]=4 147 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [1,1,0,0,0,0|0,0,1]=3 148 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [1,1,0,0,0,0|0,0,2]=4 149 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [1,1,0,0,0,0|0,0,1]=3 150 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|0,0,1]=3 152 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.56 C[C@@H](N)CCCC(C)(C)O CNP0355424.2 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.56 C[C@H](N)CCCC(C)(C)O CNP0355424.1 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,1,0,0,1,0|1,0,0]=3 156 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,1,0|1,0,1]=4 157 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,1,0|1,0,1]=4 158 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(C)C CNP0336723.1 [0,1,0,0,1,0|0,0,2]=4 159 B11R0.93 CSC(C)CC(=O)OCC(C)C CNP0003257.0 [0,1,0,0,0,1|0,0,0]=2 160 B11R0.107 CC(C)CC(=O)OC[C@H](O)CO CNP0284962.1 [0,1,0,0,0,1|1,0,0]=3 161 B11R0.107 CCC(C)COC(=O)C=C(C)C CNP0003238.0 [0,1,0,0,0,1|0,0,2]=4 162 B11R0.107 CCC(C)COC(=O)CC(C)C CNP0079769.0 [0,1,0,0,0,1|0,0,0]=2 163 B11R0.143 CO[C@H](CC(C)C)OCC(C)C CNP0189791.1 [0,1,0,0,0,1|0,0,2]=4 164 B11R0.173 C=C(C(=O)OCC(C)C)[C@H](C)O CNP0245301.1 [0,1,0,0,0,1|1,0,1]=4 165 B11R0.308 CC(C)C(N)C(=O)OC(C)(C)C CNP0507396.0 [0,2,0,0,0,0|1,0,0]=3 166 B11R0.119 C[C@@H](CO)NC(=O)OC(C)(C)C CNP0156673.1 [0,2,0,0,0,0|2,0,0]=4 167 B11R0.119 C[C@H](CO)NC(=O)OC(C)(C)C CNP0156673.2 [0,2,0,0,0,0|2,0,0]=4 168 B11R0.300 C=C[C@@](C)(O)CC(=O)CC(C)C CNP0153722.1 [0,2,0,0,0,0|0,0,1]=3 169 B11R0.359 C=C(CC(C)(C)C)CC(C)(C)C CNP0199545.0 [0,2,0,0,0,0|1,0,0]=3 170 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C CNP0313021.0 [0,2,0,0,0,0|1,0,1]=4 171 B11R0.1 C=CCC(C)CC(C)CC(C)C CNP0083066.0 [0,2,0,0,0,0|1,0,1]=4 172 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,1,0,0|1,0,1]=4 173 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [1,0,0,1,0,0|1,0,0]=3 174 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [1,0,0,1,0,0|1,0,1]=4 175 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [1,0,0,1,0,0|0,0,2]=4 176 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [1,0,0,1,0,0|0,0,2]=4 177 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.34 C[C@H]1C[C@@H](C[C@H](C1)C)C CNP0111309.1 [1,0,0,1,0,0|1,0,1]=4 180 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C CNP0566092.0 [1,0,0,1,0,0|1,0,1]=4 181 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [1,0,0,1,0,0|0,0,2]=4 183 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [1,0,0,1,0,0|0,0,0]=2 184 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [1,0,0,1,0,0|0,0,0]=2 185 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,0]=2 186 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|1,0,0]=3 187 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [1,0,0,1,0,0|1,0,1]=4 188 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [1,0,0,1,0,0|0,0,2]=4 189 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [1,0,0,1,0,0|1,0,1]=4 191 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.161 CC(C)C1OC1C(C)C CNP0501079.0 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,0,0,1,1,0|0,0,0]=2 195 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,0,1,1,0|1,0,0]=3 196 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,0,1,1,0|1,0,0]=3 197 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,0,1,1,0|1,0,0]=3 198 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,1,0|1,0,1]=4 199 B9R1.153 CC1(OC(=O)C1(C)C)C CNP0024798.0 [0,0,0,1,1,0|1,0,0]=3 200 B11R1.74 CC1=CC(=O)CC(C1)C(C)C CNP0270583.0 [0,0,0,1,0,1|0,0,2]=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 B11R1.166 C=C(C)[C@@H]1CC[C@@H](CC1=O)C CNP0179926.4 [0,1,0,1,0,0|0,0,2]=4 204 B11R1.166 C=C(C)[C@@H]1CC[C@H](CC1=O)C CNP0179926.1 [0,1,0,1,0,0|0,0,2]=4 205 B11R1.166 C=C(C)[C@H]1CC[C@@H](CC1=O)C CNP0179926.2 [0,1,0,1,0,0|0,0,2]=4 206 B11R1.166 C=C(C)[C@H]1CC[C@H](CC1=O)C CNP0179926.3 [0,1,0,1,0,0|0,0,2]=4 207 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [0,1,0,1,0,0|0,0,2]=4 208 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [0,1,0,1,0,0|0,0,2]=4 209 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [0,1,0,1,0,0|1,0,1]=4 210 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [0,1,0,1,0,0|0,0,1]=3 211 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [0,1,0,1,0,0|0,0,0]=2 212 B11R1.166 CC(C)[C@@H]1C=C[C@H](CC1=O)C CNP0154586.1 [0,1,0,1,0,0|0,0,1]=3 213 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [0,1,0,1,0,0|0,0,0]=2 214 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.8 [0,1,0,1,0,0|0,0,2]=4 215 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@H]1O)C CNP0243697.9 [0,1,0,1,0,0|0,0,2]=4 216 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [0,1,0,1,0,0|0,0,0]=2 217 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C CNP0243697.5 [0,1,0,1,0,0|0,0,2]=4 218 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C CNP0243697.6 [0,1,0,1,0,0|0,0,2]=4 219 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [0,1,0,1,0,0|0,0,0]=2 220 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.7 [0,1,0,1,0,0|0,0,2]=4 221 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@H]1O)C CNP0243697.4 [0,1,0,1,0,0|0,0,2]=4 222 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [0,1,0,1,0,0|0,0,0]=2 223 B11R1.166 CC(C)[C@H]1CC[C@H](CC1O)C CNP0243697.3 [0,1,0,1,0,0|0,0,2]=4 224 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C CNP0243697.10 [0,1,0,1,0,0|0,0,2]=4 225 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C CNP0243697.1 [0,1,0,1,0,0|0,0,2]=4 226 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C CNP0256270.1 [0,1,0,1,0,0|0,0,2]=4 227 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C CNP0256270.2 [0,1,0,1,0,0|0,0,2]=4 228 B11R1.166 CC1=CC[C@H](C(=O)C1)C(C)C CNP0354398.1 [0,1,0,1,0,0|0,0,1]=3 229 B11R1.166 CC1C=C(C(CC1)C(C)C)O CNP0003486.0 [0,1,0,1,0,0|0,0,2]=4 230 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [0,1,0,1,0,0|0,0,2]=4 231 B11R1.166 CC1CCC(C(=S)C1)C(C)C CNP0266622.0 [0,1,0,1,0,0|0,1,0]=3 232 B11R1.166 CC1CC[C@@H]([C@H](C1)O)C(C)C CNP0243697.2 [0,1,0,1,0,0|0,0,2]=4 233 B11R1.325 CC1=CC(=O)CC([C@@H]1O)(C)C CNP0421005.2 [0,1,0,1,0,0|0,0,2]=4 234 B11R1.325 CC1=CC(=O)CC([C@H]1O)(C)C CNP0421005.1 [0,1,0,1,0,0|0,0,2]=4 235 B11R1.325 CC1CC(=O)CC(C1C)(C)C CNP0465288.0 [0,1,0,1,0,0|0,0,0]=2 236 B11R1.325 CC1CC(=O)CC(C1O)(C)C CNP0611899.0 [0,1,0,1,0,0|0,0,0]=2 237 B11R1.325 C[C@@H]1CC(=O)CC(C1=O)(C)C CNP0253574.2 [0,1,0,1,0,0|0,0,1]=3 238 B11R1.325 C[C@H]1CC(=O)CC(C1=O)(C)C CNP0253574.1 [0,1,0,1,0,0|0,0,1]=3 239 B11R1.1361 CC1=C(C(=O)CC(C1)(C)C)O CNP0048893.0 [0,1,0,1,0,0|0,0,2]=4 240 B11R1.1362 CC1(CC(=O)CC(N1)(C)C)C CNP0113170.0 [0,1,0,1,0,0|0,0,0]=2 241 B11R1.1362 CC1(CC(CC(N1)(C)C)O)C CNP0568509.0 [0,1,0,1,0,0|0,0,2]=4 242 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,1,0,1,0,0|1,0,0]=3 244 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|2,0,0]=4 245 B11R1.1179 CC1(CC(=O)N[C@@]1(C)C#N)C CNP0360907.2 [0,1,0,1,0,0|1,0,1]=4 246 B11R1.1179 CC1(CC(=O)N[C@]1(C)C#N)C CNP0360907.1 [0,1,0,1,0,0|1,0,1]=4 247 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,0,0,0,1,0|2,0,0]=4 248 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,1,0|1,0,1]=4 249 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,0,0,0,1,0|0,0,0]=2 250 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,0,0,1,0|1,0,0]=3 251 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,0,0,1,0|1,0,0]=3 252 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,0,0,0,1,0|1,0,1]=4 253 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,0,0,0,1,0|1,0,0]=3 254 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,0,0,0,1,0|2,0,0]=4 255 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,0,0,1,0|2,0,0]=4 256 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,0,0,1,0|2,0,0]=4 257 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,1,0|1,0,1]=4 258 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,0,0,0,1,0|0,0,0]=2 259 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [1,0,0,0,1,0|2,0,0]=4 260 B7R0.6 CC(O)COC(C)C CNP0503370.0 [1,0,0,0,1,0|2,0,0]=4 261 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,0,0,0,2,0|0,0,2]=4 262 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,2,0|1,0,1]=4 263 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,0,0,0,2,0|0,0,0]=2 264 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,0,0,0,2,0|1,0,0]=3 265 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,0,0,0,2,0|1,0,1]=4 266 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,0,0,0,2,0|0,0,2]=4 267 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,0,0,0,2,0|2,0,0]=4 268 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [1,0,0,0,0,1|0,0,2]=4 269 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [1,0,0,0,0,1|0,0,2]=4 270 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,0,0,0,0,1|1,0,1]=4 271 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,0,0,0,0,1|1,0,1]=4 272 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [1,0,0,0,0,1|0,0,0]=2 273 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [1,0,0,0,0,1|0,0,0]=2 274 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [1,0,0,0,0,1|0,0,2]=4 275 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,0,0,0,0,1|1,0,1]=4 276 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,0,0,0,0,1|1,0,0]=3 277 B9R0.55 CC(C)C#CC=CC(C)C CNP0164536.0 [1,0,0,0,0,1|0,0,2]=4 278 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [1,0,0,0,0,1|0,0,1]=3 279 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,0,0,0,0,1|1,0,1]=4 280 B9R0.55 CC(C)CSSCC(C)C CNP0113206.0 [1,0,0,0,0,1|1,0,0]=3 281 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,0,0,0,0,2|0,0,2]=4 282 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,0,0,0,0,2|0,0,2]=4 283 B11R0.6 CC(=CCOC(=O)CC(C)C)C CNP0115393.0 [0,0,0,0,0,2|0,0,1]=3 284 B11R0.6 CC(=CCSC(=O)CC(C)C)C CNP0242977.0 [0,0,0,0,0,2|0,0,1]=3 285 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,0,0,0,0,2|1,0,1]=4 286 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,0,0,0,0,2|0,0,0]=2 287 B11R0.85 CC(C)CNC(=O)NCC(C)C CNP0570666.0 [0,0,0,0,0,2|0,0,0]=2