0 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,0,0,0,0|0,1,2]=4 21 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|0,0,0]=1 31 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,0,0,0,0,0|0,2,1]=4 32 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,0,0,0,0,0|1,1,1]=4 39 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,0,0,0,0,0|0,1,1]=3 49 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,0,0,0,0,0|1,1,1]=4 50 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,0|0,0,0]=1 62 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.6 CC(O)COC(C)C CNP0503370.0 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,1,0,0,0,0|0,0,1]=2 80 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,1,0,0,0,0|0,0,2]=3 81 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,1,0,0,0,0|0,0,0]=1 82 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.21 COC(=O)C=CC(C)(C)C CNP0328379.0 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,0,0|3,0,0]=4 86 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,0|2,0,0]=3 88 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,0,0,0,0|0,0,0]=1 95 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,1,0,0,0,0|2,0,1]=4 99 B9R0.24 CNC(=O)ON=C(C)SC CNP0342524.0 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.42 CC[C@@H](C)OC(=O)C(C)C CNP0424563.1 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.43 CCC(CC)CCC(C)C CNP0312262.0 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,1,0,0,0,0|0,0,2]=3 104 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,1,0,0,0,0|0,0,1]=2 105 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,1,0,0,0,0|1,0,0]=2 107 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,1,0,0,0,0|0,0,0]=1 108 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,1,0,0,0,0|1,0,1]=3 110 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,0,0|1,0,1]=3 118 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,0,0,1,0,0|1,0,1]=3 119 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,0|0,0,0]=1 121 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,0,0,1,0,0|1,0,2]=4 122 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,0,0,1,0,0|0,0,2]=3 123 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,0|0,0,0]=1 124 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,0|1,0,0]=2 127 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,0,0,1,0,0|1,0,2]=4 129 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.80 C=CC(=O)OCC1CO1 CNP0610091.0 [0,0,0,1,0,0|1,0,2]=4 138 B9R1.133 CCC1=CC(C=C1)(C)C CNP0076201.0 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,0,0,1,0,0|3,0,0]=4 144 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,0,0,0,1,0|1,0,2]=4 145 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,0,0,0,1,0|1,0,1]=3 146 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,0,0,0,1,0|2,0,1]=4 147 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,0,0,0,1,0|2,0,1]=4 148 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,0,0,1,0|0,0,2]=3 149 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,1,0|2,0,1]=4 150 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,0,0,1,0|0,0,0]=1 151 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,1,0|2,0,1]=4 152 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,0,0,0,1,0|0,0,0]=1 153 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,0,0,0,1,0|1,0,1]=3 154 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,0,0,0,1,0|3,0,0]=4 155 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,0,0,1,0|1,0,2]=4 156 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,0,0,1,0|2,0,1]=4 157 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,0,0,1,0|1,0,0]=2 158 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,0,0,0,1,0|2,0,0]=3 159 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,0,0,1,0|2,0,0]=3 160 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,0,0,0,1,0|2,0,0]=3 161 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,0,0,0,1,0|2,0,0]=3 162 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,0,0,1,0|2,0,0]=3 163 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,0,0,1,0|2,0,0]=3 164 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,0,0,1,0|1,0,0]=2 165 B9R0.1 C=C(CC)CCC=C(C)C CNP0507875.0 [0,0,0,0,0,1|2,0,1]=4 166 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,0,0,0,0,1|2,0,1]=4 167 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,0,0,0,0,1|1,0,0]=2 168 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,0,0,0,0,1|0,0,0]=1 169 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,0,0,0,0,1|3,0,0]=4 170 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,0,0,0,0,1|2,0,1]=4 171 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,0,0,0,0,1|2,0,0]=3 172 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,0,0,0,0,1|3,0,0]=4 173 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|0,0,2]=4 175 B6R0.1 C=CC(=O)OCC CNP0197495.0 [2,0,0,0,0,0|0,0,2]=4 176 B6R0.1 C=CCC(=O)CC CNP0580605.0 [2,0,0,0,0,0|0,0,2]=4 177 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|0,0,2]=4 178 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,0]=2 182 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,2]=4 187 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,2]=4 189 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|0,0,0]=2 193 B6R0.1 CCOC(=O)CI CNP0158474.0 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|0,1,0]=3 197 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.4 C=CCOC(=O)C CNP0175648.0 [2,0,0,0,0,0|0,0,2]=4 201 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.4 CC(C)C=CC=O CNP0003528.0 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.4 CC(C)CC=NO CNP0235743.0 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.4 CC(C)CCC=O CNP0198082.0 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(C)CNC=O CNP0473867.0 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.4 CC(C)COC=O CNP0232692.0 [2,0,0,0,0,0|0,0,0]=2 213 B6R0.4 CC(C)CON=O CNP0224607.0 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.4 CC(C)OCCO CNP0079907.0 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 CC=CCC(C)C CNP0081831.0 [2,0,0,0,0,0|0,0,1]=3 216 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|0,0,1]=3 223 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|2,0,0]=4 224 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|0,0,0]=2 228 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|0,1,0]=3 229 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|0,1,1]=4 230 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|0,1,0]=3 233 B6R0.4 CCSSC(C)C CNP0003135.0 [2,0,0,0,0,0|1,1,0]=4 234 B6R0.4 CNCCC(C)C CNP0254439.0 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|1,1,0]=4 238 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|0,1,1]=4 241 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,0]=3 243 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,1]=4 248 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|0,1,1]=4 249 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|1,1,0]=4 250 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,1,0,0,0,0|0,0,2]=4 251 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,1,0,0,0,0|1,0,0]=3 253 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|1,0,0]=3 254 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|1,0,0]=3 255 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|0,0,0]=2 256 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|2,0,0]=4 258 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|2,0,0]=4 259 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|1,0,1]=4 260 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,0]=3 263 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,1,0,0,0,0|0,0,2]=4 266 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|1,0,0]=3 270 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|0,0,0]=2 274 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [1,1,0,0,0,0|0,0,2]=4 278 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,1]=4 279 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,0]=3 280 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,0]=3 282 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|0,0,0]=2 283 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|1,0,0]=3 285 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|1,0,1]=4 286 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 290 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 291 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|0,0,1]=3 292 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|0,0,0]=2 293 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|2,0,0]=4 294 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|2,0,0]=4 295 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,1,0,0,0,0|2,0,0]=4 300 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|1,0,1]=4 303 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [1,1,0,0,0,0|0,0,1]=3 312 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [1,1,0,0,0,0|2,0,0]=4 320 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [1,1,0,0,0,0|2,0,0]=4 325 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [1,1,0,0,0,0|2,0,0]=4 326 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [1,1,0,0,0,0|2,0,0]=4 327 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,1,0,0,1,0|2,0,0]=4 330 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,0,0,1,0|1,0,1]=4 331 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [0,1,0,0,1,0|1,0,1]=4 332 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,0,0,1,0|1,0,1]=4 333 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,1,0|1,0,0]=3 334 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,1,0|1,0,0]=3 335 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,1,0|2,0,0]=4 336 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,1,0|1,0,0]=3 337 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,1,0|2,0,0]=4 338 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,1,0|2,0,0]=4 339 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,1,0|2,0,0]=4 340 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,1,0|2,0,0]=4 341 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [0,1,0,0,1,0|1,0,1]=4 342 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [0,1,0,0,1,0|0,0,2]=4 343 B8R0.24 CC(C)(C)NC(=O)CCl CNP0053512.0 [0,1,0,0,1,0|2,0,0]=4 344 B8R0.24 CC(C)(C)OC(=O)NN CNP0500094.0 [0,1,0,0,1,0|2,0,0]=4 345 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,1,0,0,1,0|1,0,1]=4 346 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,1,0,0,1,0|0,0,0]=2 347 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [0,1,0,0,1,0|1,0,1]=4 348 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,0,0,1,0|1,0,0]=3 349 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,1,0,0,0,1|0,0,2]=4 350 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,1,0,0,0,1|2,0,0]=4 351 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,1,0,0,0,1|0,0,0]=2 352 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,1,0,0,0,1|2,0,0]=4 353 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,1|1,0,0]=3 354 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,1|2,0,0]=4 355 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,1,0,0,0,1|1,0,0]=3 356 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,1,0,0,0,1|1,0,0]=3 357 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [0,1,0,0,0,1|1,0,1]=4 358 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [0,1,0,0,0,1|1,0,1]=4 359 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [0,1,0,0,0,1|2,0,0]=4 360 B10R0.60 CCC(=O)OCC[N+](C)(C)C CNP0582310.0 [0,1,0,0,0,1|1,0,0]=3 361 B10R0.98 CC(=CCOC(=O)C(C)C)C CNP0003209.0 [0,1,0,0,0,1|0,0,1]=3 362 B10R0.98 CC(=CCSC(=O)C(C)C)C CNP0197381.0 [0,1,0,0,0,1|0,1,1]=4 363 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,1,0,0,0,1|0,0,1]=3 364 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,1,0,0,0,1|0,0,0]=2 365 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,1,0,0,0,1|0,0,0]=2 366 B10R0.84 CC(C)CC=C(C=O)C(C)C CNP0259933.0 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.93 CC(C)C(=O)OC(=O)C(C)C CNP0300991.0 [0,2,0,0,0,0|0,0,1]=3 368 B10R0.93 CC(O)C(C)OC(=O)[C@H](C)O CNP0202173.1 [0,2,0,0,0,0|1,0,0]=3 369 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,2,0,0,0,0|1,0,0]=3 370 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,2,0,0,0,0|1,0,0]=3 371 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.46 CCC(=O)/C(=C/[C@@H](C)CC)/C CNP0207497.1 [0,2,0,0,0,0|1,0,1]=4 373 B10R0.46 CCC(=O)OC(C)C(=O)SC CNP0347510.0 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|1,0,0]=3 375 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|0,0,0]=2 377 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,2,0,0,0,0|1,0,1]=4 380 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,2,0,0,0,0|1,0,1]=4 381 B10R0.53 CC[C@@H](CC(=O)OC)C(C)C CNP0179585.1 [0,2,0,0,0,0|2,0,0]=4 382 B10R0.53 CC[C@H](CC(=O)OC)C(C)C CNP0179585.2 [0,2,0,0,0,0|2,0,0]=4 383 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|0,0,0]=2 384 B10R0.96 CC(=O)CC(=O)OCC(C)C CNP0066978.0 [0,2,0,0,0,0|0,0,0]=2 385 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [0,2,0,0,0,0|1,0,1]=4 386 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [0,2,0,0,0,0|1,0,0]=3 387 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [0,2,0,0,0,0|0,0,0]=2 388 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|1,0,1]=4 389 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,0,0,1,0,0|0,0,2]=4 390 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|1,0,1]=4 391 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,1,0,0|0,0,2]=4 392 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|0,0,0]=2 393 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|0,0,0]=2 394 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,1,0,0|1,0,0]=3 397 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,1,0,0|1,0,0]=3 400 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,1,0,0|1,0,0]=3 402 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|1,0,1]=4 404 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|1,0,1]=4 405 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,0]=3 406 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 407 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,1]=4 409 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|0,0,0]=2 413 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 414 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|1,0,0]=3 418 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 419 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|0,0,0]=2 420 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 422 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [1,0,0,1,0,0|1,0,0]=3 424 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [1,0,0,1,0,0|1,0,0]=3 425 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,0,0,1,0,0|1,0,0]=3 426 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|0,1,0]=3 427 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [1,0,0,1,0,0|1,0,0]=3 428 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,1]=4 433 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,1]=4 434 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,0,0,1,0,0|1,0,1]=4 435 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [1,0,0,1,0,0|1,0,1]=4 436 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [1,0,0,1,0,0|1,0,1]=4 437 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,1]=4 439 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,0,0,1,0,0|1,0,1]=4 440 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [1,0,0,1,0,0|1,0,1]=4 441 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [1,0,0,1,0,0|0,0,0]=2 442 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,0,0,1,1,0|0,0,2]=4 444 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,0,0,1,1,0|0,0,2]=4 445 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,1,0|1,0,1]=4 446 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,0,0,1,1,0|1,0,0]=3 447 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,0,0,1,1,0|2,0,0]=4 448 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,0,0,1,1,0|1,0,1]=4 449 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,0,0,1,1,0|0,0,0]=2 450 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,0,0,1,1,0|1,0,0]=3 451 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,0,0,1,1,0|1,0,1]=4 452 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [0,0,0,1,0,1|2,0,0]=4 453 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [0,0,0,1,0,1|2,0,0]=4 454 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,0,0,1,0,1|2,0,0]=4 455 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,0,0,1,0,1|1,0,0]=3 456 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,0,0,1,0,1|1,0,0]=3 457 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,0,0,1,0,1|1,0,0]=3 458 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,0,0,1,0,1|2,0,0]=4 459 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,0,0,1,0,1|2,0,0]=4 460 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,0,0,1,0,1|2,0,0]=4 461 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,0,0,1,0,1|2,0,0]=4 462 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,0,0,1,0,1|1,0,0]=3 463 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@H]1C CNP0176461.1 [0,0,0,1,0,1|1,0,1]=4 464 B10R1.58 CC(C)[C@@H]1C=C(C(=O)O1)N CNP0526370.1 [0,1,0,1,0,0|0,0,2]=4 465 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [0,1,0,1,0,0|1,0,0]=3 466 B10R1.205 C=C(C)C(=O)OCC1CO1 CNP0077281.0 [0,1,0,1,0,0|1,0,1]=4 467 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|1,0,0]=3 468 B10R1.471 CC1(OOC(=O)C1(C)C)C CNP0034186.0 [0,1,0,1,0,0|1,0,0]=3 469 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 CNP0274649.1 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.55 C[C@H]1CC[C@@H](O1)C(C)(C)O CNP0273829.1 [0,1,0,1,0,0|1,0,1]=4 471 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|1,0,1]=4 472 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.236 CC[C@]1(COC(=O)[C@H]1O)C CNP0168013.1 [0,1,0,1,0,0|1,0,0]=3 474 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.473 CCC1(CNC(=O)CO1)C CNP0130864.0 [0,1,0,1,0,0|2,0,0]=4 476 B10R1.473 CC[C@]1(CNC(=O)CO1)C CNP0130864.1 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.63 CC1=C[C@H](C(CC1)(C)C)O CNP0097325.1 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,1,0,1,0,0|1,0,1]=4 479 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|0,0,2]=4 480 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]=2 481 B10R1.339 C=C1C[C@H](C([C@H]1C)(C)C)C CNP0483236.1 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,1,0,1,0,0|1,0,1]=4 484 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4 485 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,0,0,1,0|0,0,2]=4 486 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,0,0,1,0|1,0,1]=4 487 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,0,0,1,0|0,0,2]=4 488 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,0,0,1,0|1,0,1]=4 489 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,0,0,1,0|0,0,2]=4 490 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,0,0,1,0|1,0,1]=4 491 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,1,0|0,0,0]=2 492 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,1,0|1,0,0]=3 493 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,1,0|1,0,0]=3 494 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,0,0,0,1,0|1,0,1]=4 495 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,0,0,1,0|0,0,0]=2 496 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,0,0,1,0|0,1,0]=3 497 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,0,0,1,0|1,0,0]=3 498 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,0,0,0,1,0|1,0,1]=4 499 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,0,0,1,0|0,0,2]=4 500 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,0,0,0,1,0|1,0,1]=4 501 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,0,0,0,1,0|1,0,1]=4 502 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,0,0,0,1,0|1,0,1]=4 503 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,0,0,1,0|2,0,0]=4 504 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,0,0,1,0|2,0,0]=4 505 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,0,0,0,1,0|2,0,0]=4 506 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,0,0,0,1,0|2,0,0]=4 507 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,1,0|2,0,0]=4 508 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,1,0|2,0,0]=4 509 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,1,0|2,0,0]=4 510 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,1,0|2,0,0]=4 511 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,1,0|2,0,0]=4 512 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,1,0|1,0,0]=3 513 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,1,0|1,0,1]=4 514 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,1,0|2,0,0]=4 515 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,0,0,0,1,0|2,0,0]=4 516 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,0,0,0,2,0|0,0,2]=4 517 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,0,0,0,2,0|2,0,0]=4 518 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,0,0,0,2,0|1,0,1]=4 519 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,0,0,2,0|2,0,0]=4 520 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,0,0,2,0|1,0,1]=4 521 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,2,0|1,0,1]=4 522 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,0,0,2,0|0,0,0]=2 523 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,0,0,2,0|1,0,0]=3 524 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,0,0,2,0|1,0,0]=3 525 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,0,0,2,0|1,0,0]=3 526 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,0,0,2,0|1,0,0]=3 527 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,0,0,0,2,0|0,0,2]=4 528 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,0,0,0,2,0|0,1,1]=4 529 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,0,0,0,2,0|1,0,1]=4 530 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,0,0,0,2,0|2,0,0]=4 531 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,0,0,2,0|1,0,0]=3 532 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,0,0,0,2,0|2,0,0]=4 533 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,0,0,2,0|2,0,0]=4 534 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,0,0,0,2,0|2,0,0]=4 535 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,0,0,2,0|2,0,0]=4 536 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,0,0,0,2,0|1,1,0]=4 537 B10R0.55 CCC(=O)C=CCC=C(C)C CNP0093089.0 [0,0,0,0,0,2|1,0,1]=4 538 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,0,0,0,0,2|2,0,0]=4