0 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,0,0,0,0,0|0,1,0]=1 15 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,0,0,0,0|0,0,0]=0 17 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,0,0,0,0|0,0,0]=0 18 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,0,0,0,0,0|2,2,0]=4 22 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,0,0,0,0,0|0,1,0]=2 34 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,0,0,0,0,0|0,0,0]=1 37 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,0,0,0,0,0|1,1,0]=3 40 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|1,1,1]=4 51 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|1,1,1]=4 54 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|0,0,3]=4 58 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,0,0,0,0,0|0,0,2]=3 63 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,0,0,0,0|0,0,2]=3 66 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,0,0,0,0,0|0,0,0]=1 69 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,0,0,0,0,0|0,1,0]=2 70 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,0,0,0,0|1,1,1]=4 74 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,0,0,0,0,0|1,1,1]=4 75 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,0,0,0,0,0|1,1,1]=4 78 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,0,0,0,0,0|0,1,0]=2 82 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,0|1,0,2]=4 89 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,0,0,0,0|3,0,0]=4 90 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,0|1,0,0]=2 92 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,0,0,0,0|0,0,1]=2 93 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 94 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 95 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 96 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 97 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,0,0,0,0|1,0,1]=3 98 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,1,0,0,0,0|0,0,2]=3 100 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,1,0,0,0,0|0,1,0]=2 101 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,1,0,0,0,0|1,0,0]=2 103 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,0|2,0,0]=3 104 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.23 CC[C@@H](O)[C@@H](O)C[C@H](C)O CNP0579161.1 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.34 C=C[C@H](O)CC(=O)/C=C/C CNP0207948.1 [0,1,0,0,0,0|1,0,2]=4 108 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,1,0,0,0,0|0,1,0]=2 110 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|0,0,0]=1 111 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,1,0,0,0,0|0,0,0]=1 113 B9R0.44 CCOC(=O)CS(=O)(=O)Cl CNP0190677.0 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,1,0,0,0,0|1,0,2]=4 115 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [0,1,0,0,0,0|1,1,0]=3 118 B9R0.53 CC(C)NC(=O)NC(C)C CNP0313716.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R0.53 CC(C)OP(=O)OC(C)C CNP0511332.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,0,0,1,0,0|2,1,0]=4 126 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,0,0,1,0,0|2,1,0]=4 127 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,0,0,1,0,0|1,0,1]=3 128 B9R1.34 CC1OC(OC(O1)C)C CNP0019542.0 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.34 CC1OC(SC(O1)C)C CNP0002634.0 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,0,0,1,0,0|0,0,2]=3 131 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,0,1,0,0|0,0,0]=1 132 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,0,0,1,0,0|0,0,2]=3 133 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,0,1,0,0|0,0,0]=1 134 B9R1.34 C[C@H]1O[C@H](O[C@H](O1)C)C CNP0582281.0 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,0,0,1,0,0|0,0,2]=3 137 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,0|0,0,0]=1 143 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,0|0,0,0]=1 144 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,0,0,1,0,0|0,0,0]=1 145 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,0,0,1,0|1,0,1]=3 146 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,0,0,0,1,0|1,0,2]=4 147 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,0,0,0,1,0|0,0,2]=3 148 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,0,0,1,0|1,0,2]=4 149 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,0,0,0,1,0|2,0,1]=4 150 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,0,0,0,1,0|2,0,0]=3 151 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,0,0,0,1,0|1,0,0]=2 152 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,0,0,0,1,0|1,0,0]=2 153 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,0,0,1,0|0,0,2]=3 154 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,0,0,0,1,0|2,0,0]=3 155 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,0,0,0,1,0|1,0,0]=2 156 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,0,0,0,1,0|0,1,0]=2 157 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,0,0,0,1,0|2,0,0]=3 158 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,0,0,0,1,0|0,0,0]=1 159 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,0,0,0,1,0|1,0,0]=2 160 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,0,0,0,1,0|2,0,0]=3 161 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,0,0,0,1,0|0,0,0]=1 162 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,0,0,0,0,1|2,0,1]=4 163 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,0,0,0,0,1|2,0,1]=4 164 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,0,0,0,0,1|1,0,2]=4 165 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,0,0,0,0,1|1,0,2]=4 166 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,0,0,0,0,1|2,0,1]=4 167 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,0,0,0,0,1|2,0,0]=3 168 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,0,0,0,0,1|2,0,0]=3 169 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,0,0,0,0,1|1,0,2]=4 170 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,0,0,0,0,1|1,0,1]=3 171 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,0,0,0,0,1|2,0,1]=4 172 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,0,0,0,1|0,0,2]=3 173 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,0,0,0,0,1|1,0,2]=4 174 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,0,0,0,0,1|1,0,1]=3 175 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,0,0,0,0,1|1,0,0]=2 176 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,0,0,0,0,1|2,0,1]=4 177 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,0,0,0,0,1|1,0,1]=3 178 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,0,0,0,0,1|0,1,2]=4 179 B6R0.1 C=C(CO)CCO CNP0082069.0 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,2]=4 182 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,2]=4 183 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 184 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,2]=4 185 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 186 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.1 CCC=C(C)CO CNP0511576.0 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 193 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 194 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,2]=4 196 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,2]=4 198 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|0,0,2]=4 201 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 202 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 203 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 206 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 209 B6R0.1 COC(=O)C=NO CNP0235637.0 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|0,0,2]=4 211 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.1 O=CC(=O)CCO CNP0294743.0 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [2,0,0,0,0,0|0,0,2]=4 216 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [2,0,0,0,0,0|0,0,2]=4 217 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [2,0,0,0,0,0|0,0,2]=4 219 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [2,0,0,0,0,0|0,0,2]=4 220 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [2,0,0,0,0,0|0,0,2]=4 221 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [2,0,0,0,0,0|0,0,0]=2 223 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [2,0,0,0,0,0|0,0,0]=2 224 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.2 CC(C)CC(C)O CNP0493734.0 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [2,0,0,0,0,0|0,0,0]=2 231 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [2,0,0,0,0,0|0,0,2]=4 232 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [2,0,0,0,0,0|0,0,0]=2 234 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [2,0,0,0,0,0|1,0,1]=4 238 B6R0.4 CC=CCC(C)C CNP0081831.0 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|0,0,1]=3 240 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,1]=3 243 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,1]=3 244 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|0,0,0]=2 247 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|1,1,0]=4 248 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [2,0,0,0,0,0|0,1,1]=4 250 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,0]=3 252 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 255 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|1,0,1]=4 256 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|1,1,0]=4 260 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|0,0,1]=3 261 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|0,1,1]=4 262 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|0,1,1]=4 263 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [1,1,0,0,0,0|0,0,1]=3 264 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [1,1,0,0,0,0|0,0,2]=4 266 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [1,1,0,0,0,0|1,0,0]=3 269 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [1,1,0,0,0,0|0,0,0]=2 270 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [1,1,0,0,0,0|1,0,0]=3 271 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [1,1,0,0,0,0|0,0,0]=2 272 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [1,1,0,0,0,0|0,0,0]=2 273 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [1,1,0,0,0,0|0,0,0]=2 274 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [1,1,0,0,0,0|0,0,0]=2 275 B8R0.16 CO/C(=N/O)/C[C@H](C)O CNP0423292.1 [1,1,0,0,0,0|0,0,1]=3 276 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 278 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 279 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|1,0,0]=3 282 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,0]=2 284 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|0,0,2]=4 285 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|0,1,0]=3 286 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [1,1,0,0,0,0|1,0,0]=3 287 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [1,1,0,0,0,0|0,0,2]=4 290 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,1,0,0,0,0|1,0,0]=3 291 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [1,1,0,0,0,0|2,0,0]=4 292 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [1,1,0,0,0,0|2,0,0]=4 294 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [1,1,0,0,0,0|0,0,0]=2 296 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [1,1,0,0,0,0|1,0,1]=4 300 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,1,0,0,0,0|2,0,0]=4 305 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,1,0,0,0,0|1,0,1]=4 314 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,1,0,0,0,0|2,0,0]=4 315 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,1,0,0,0,0|0,0,1]=3 316 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,1,0,0,0,0|0,0,1]=3 317 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|1,0,1]=4 318 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,1,0,0,0,0|0,0,0]=2 319 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|1,0,0]=3 320 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|0,0,0]=2 321 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|0,0,0]=2 322 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,1,0,0,0,0|1,0,1]=4 323 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,1,0,0,0,0|0,0,1]=3 324 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|0,0,0]=2 325 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [1,1,0,0,0,0|2,0,0]=4 327 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [1,1,0,0,0,0|2,0,0]=4 331 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,1,0,0,0,0|0,0,2]=4 332 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,0]=3 333 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [1,1,0,0,0,0|1,0,0]=3 334 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|0,0,1]=3 336 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,1,0,0,0,0|0,0,2]=4 337 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [1,1,0,0,0,0|0,0,0]=2 338 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [1,1,0,0,0,0|0,0,0]=2 339 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [1,1,0,0,0,0|0,1,0]=3 340 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [1,1,0,0,0,0|0,0,0]=2 341 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [1,1,0,0,0,0|0,0,0]=2 342 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,1,0,0,1,0|2,0,0]=4 351 B8R0.14 CCOC(=O)C(Br)(Br)Br CNP0194648.0 [0,1,0,0,1,0|2,0,0]=4 352 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,1,0,0,1,0|1,0,0]=3 353 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,1,0,0,0,1|1,0,1]=4 354 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,1|1,0,1]=4 355 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,1,0,0,0,1|1,0,1]=4 356 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,1,0,0,0,1|1,0,0]=3 357 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,1,0,0,0,1|1,0,0]=3 358 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,1,0,0,0,1|0,0,0]=2 359 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,1,0,0,0,1|0,0,2]=4 360 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,1,0,0,0,1|2,0,0]=4 361 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,1,0,0,0,1|2,0,0]=4 362 B10R0.78 CCCOC(=O)CCC(=O)C CNP0002391.0 [0,1,0,0,0,1|0,0,2]=4 363 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,1,0,0,0,1|2,0,0]=4 364 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,1,0,0,0,1|2,0,0]=4 365 B10R0.96 CC(C)OC(=O)CCC(=O)O CNP0547700.0 [0,1,0,0,0,1|1,0,1]=4 366 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,1,0,0,0,1|2,0,0]=4 367 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,1,0,0,0,1|1,0,0]=3 368 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,1,0,0,0,1|1,0,0]=3 369 B10R0.108 CCOC(=O)CNC(=O)CN CNP0593562.0 [0,1,0,0,0,1|0,0,2]=4 370 B10R0.109 CCOC(=O)CCS(=O)(=O)C CNP0414710.0 [0,1,0,0,0,1|1,0,1]=4 371 B10R0.6 CC(C)CC(=O)NCCC=O CNP0412095.0 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|0,0,2]=4 373 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|1,0,0]=3 374 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|0,0,0]=2 375 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|0,0,0]=2 376 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,2,0,0,0,0|0,0,0]=2 377 B10R0.44 C=C[C@@H](C)CC(=O)CC(C)C CNP0350392.1 [0,2,0,0,0,0|2,0,0]=4 378 B10R0.44 C=C[C@H](C)CC(=O)CC(C)C CNP0350392.2 [0,2,0,0,0,0|2,0,0]=4 379 B10R0.44 CC[C@@H](C)SC(=O)CC(C)C CNP0382441.1 [0,2,0,0,0,0|1,1,0]=4 380 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,2,0,0,0,0|1,0,1]=4 381 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,2,0,0,0,0|1,0,0]=3 382 B10R0.36 CCOC(=O)C(C)(C)C(C)O CNP0562929.0 [0,2,0,0,0,0|0,0,0]=2 383 B10R0.23 CCCC(CC(C)O)C(=O)O CNP0580623.0 [0,2,0,0,0,0|1,0,1]=4 384 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,2]=4 385 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,0]=2 386 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,2,0,0,0,0|0,0,2]=4 387 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|0,0,0]=2 388 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,1,0,0|0,0,2]=4 389 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|1,0,1]=4 390 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|1,0,1]=4 391 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,0]=3 393 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|1,0,1]=4 396 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|1,0,1]=4 397 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|1,0,0]=3 398 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|1,0,1]=4 400 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|1,0,1]=4 401 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [1,0,0,1,0,0|0,0,2]=4 402 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [1,0,0,1,0,0|0,0,2]=4 403 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,1,0,0|1,0,1]=4 406 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [1,0,0,1,0,0|1,0,0]=3 408 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [1,0,0,1,0,0|1,0,1]=4 409 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,1,0,0|1,0,1]=4 410 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,0,0,1,0,0|1,0,1]=4 412 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|1,0,1]=4 413 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|1,0,1]=4 414 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,1,0,0|1,0,1]=4 416 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|1,0,1]=4 418 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|1,0,0]=3 419 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,0,0,1,0,0|1,1,0]=4 420 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|1,0,1]=4 421 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|1,0,1]=4 422 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|1,0,0]=3 423 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [1,0,0,1,0,0|0,0,2]=4 424 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,1,1,0|2,0,0]=4 425 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,1,0|2,0,0]=4 426 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,1,0|1,0,0]=3 427 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,1,1,0|2,0,0]=4 428 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,0,1,1,0|1,0,1]=4 429 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,1,0|1,0,0]=3 430 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,0,0,1,0,1|1,0,1]=4 431 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,0,0,1,0,1|1,0,1]=4 432 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,0,0,1,0,1|0,0,2]=4 433 B10R1.107 CC(=O)N[C@@H]1C(=O)O[C@@H]1C CNP0213056.1 [0,0,0,1,0,1|0,0,2]=4 434 B10R1.107 CC(=O)N[C@H]1C(=O)O[C@H]1C CNP0213056.2 [0,0,0,1,0,1|0,0,2]=4 435 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,0,0,1,0,1|1,0,1]=4 436 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [0,1,0,1,0,0|1,0,1]=4 437 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [0,1,0,1,0,0|1,0,0]=3 439 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,1,0,1,0,0|1,0,1]=4 440 B10R1.8 C[C@H]1CC(=O)C=C(O1)CO CNP0111565.1 [0,1,0,1,0,0|1,0,1]=4 441 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,1,0,1,0,0|2,0,0]=4 443 B10R1.192 C[C@@H]1COC(=O)[C@H]1[C@@H](C)O CNP0272849.1 [0,1,0,1,0,0|0,0,0]=2 444 B10R1.192 C[C@H](O)C1C(=O)OC[C@@H]1C CNP0272849.2 [0,1,0,1,0,0|0,0,0]=2 445 B10R1.192 C[C@H](O)[C@@H]1C(=O)OC[C@H]1C CNP0272849.3 [0,1,0,1,0,0|0,0,0]=2 446 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,1,0,0|1,0,1]=4 447 B10R1.22 CC1=CC(=O)C[C@@H]([C@H]1O)O CNP0177543.1 [0,1,0,1,0,0|1,0,1]=4 448 B10R1.22 CC1OC(C[C@H]([C@@H]1O)O)O CNP0304270.3 [0,1,0,1,0,0|0,0,2]=4 449 B10R1.22 C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O CNP0502083.1 [0,1,0,1,0,0|0,0,2]=4 450 B10R1.22 C[C@@H]1O[C@H](C[C@@H]([C@@H]1O)O)O CNP0304270.7 [0,1,0,1,0,0|0,0,2]=4 451 B10R1.22 C[C@@H]1O[C@H](C[C@H]([C@H]1O)O)O CNP0304270.4 [0,1,0,1,0,0|0,0,2]=4 452 B10R1.22 C[C@H]1OC(C[C@H]([C@@H]1O)O)O CNP0304270.9 [0,1,0,1,0,0|0,0,2]=4 453 B10R1.22 C[C@H]1O[C@@H](C[C@@H]([C@@H]1O)O)O CNP0304270.6 [0,1,0,1,0,0|0,0,2]=4 454 B10R1.22 C[C@H]1O[C@@H](C[C@@H]([C@H]1O)O)O CNP0304270.5 [0,1,0,1,0,0|0,0,2]=4 455 B10R1.22 C[C@H]1O[C@@H](C[C@H]([C@@H]1O)O)O CNP0304270.8 [0,1,0,1,0,0|0,0,2]=4 456 B10R1.22 C[C@H]1O[C@@H](C[C@H]([C@H]1O)O)O CNP0304270.2 [0,1,0,1,0,0|0,0,2]=4 457 B10R1.22 C[C@H]1O[C@H](C[C@H]([C@@H]1O)O)O CNP0304270.1 [0,1,0,1,0,0|0,0,2]=4 458 B10R1.291 CC(=O)[C@@]1(CCOC1=O)C CNP0364399.2 [0,1,0,1,0,0|0,0,2]=4 459 B10R1.291 CC(=O)[C@]1(CCOC1=O)C CNP0364399.1 [0,1,0,1,0,0|0,0,2]=4 460 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|2,0,0]=4 461 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|2,0,0]=4 462 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|0,0,0]=2 464 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,1,0,1,0,0|0,0,1]=3 466 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,1,0,1,0,0|0,0,1]=3 467 B10R1.329 CC1(OC(=O)CC(=O)O1)C CNP0197041.0 [0,1,0,1,0,0|1,0,1]=4 468 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.329 C[C@@]1(CC(=O)O[C@H](C1)O)O CNP0293170.1 [0,1,0,1,0,0|0,0,0]=2 470 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|1,0,0]=3 471 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|1,0,0]=3 472 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|1,0,0]=3 473 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,0,0,0,1,0|1,0,1]=4 474 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [1,0,0,0,1,0|2,0,0]=4 475 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [1,0,0,0,1,0|1,0,0]=3 476 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,1,0|0,0,2]=4 477 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,1,0|1,0,1]=4 478 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,0,0,0,1,0|1,0,0]=3 479 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,0,0,0,1,0|0,1,0]=3 480 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,0,0,0,1,0|2,0,0]=4 481 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,0,0,0,1,0|1,0,0]=3 482 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,0,0,0,1,0|0,0,0]=2 483 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,0,0,0,1,0|0,0,2]=4 484 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,0,0,0,1,0|1,0,1]=4 485 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,0,0,0,1,0|1,0,1]=4 486 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,0,0,1,0|0,0,2]=4 487 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,1,0|1,0,1]=4 488 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [1,0,0,0,1,0|2,0,0]=4 489 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,0,0,0,1,0|1,0,0]=3 490 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [1,0,0,0,1,0|1,0,0]=3 491 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [1,0,0,0,1,0|0,0,0]=2 492 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [1,0,0,0,1,0|1,0,0]=3 493 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [1,0,0,0,1,0|1,0,0]=3 494 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [1,0,0,0,1,0|0,0,0]=2 495 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,0,0,0,1,0|1,1,0]=4 496 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,0,0,0,0,2|2,0,0]=4 497 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,0,0,0,0,2|0,0,0]=2 498 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,0,0,0,0,2|0,0,2]=4 499 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,0,0,0,0,2|1,0,0]=3 500 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,0,0,0,0,2|0,0,0]=2