0 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,0,0,0,0|0,0,2]=2 12 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,0,0,0,0|0,0,4]=4 14 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,0,0,0,0|0,0,2]=2 16 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,0,0,0,0,0|1,1,0]=2 20 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,0,0,0,0,0|0,0,0]=0 21 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,0,0,0,0,0|0,0,0]=0 23 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 CCCC#CCCC CNP0381743.0 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|0,0,0]=1 47 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.1 CCCSSCCC CNP0328321.0 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.1 CCCSSSCC CNP0094065.0 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.1 CCNCCNCC CNP0103183.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.1 CCSCSSCC CNP0079298.0 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.1 CSCCCCC#N CNP0183103.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 NCCCCCCN CNP0230906.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.1 NCCCNCCS CNP0050642.0 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.1 OCCCSCCO CNP0079791.0 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.1 SCCCCCCS CNP0089642.0 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,0,0,0,0,0|0,0,2]=3 80 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|0,0,2]=3 84 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,0,0,0,0,0|1,0,0]=2 87 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|0,0,0]=1 93 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,0,0,0,0,0|1,1,0]=3 97 B7R0.3 CCSSC(C)CC CNP0075907.0 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [1,0,0,0,0,0|1,0,2]=4 99 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [1,0,0,0,0,0|1,0,2]=4 100 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [1,0,0,0,0,0|1,0,2]=4 101 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|0,0,2]=3 105 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,0,0,0,0,0|0,0,2]=3 109 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,0,0,0,0,0|0,0,2]=3 110 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,0,0,0,0,0|0,0,2]=3 111 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,2]=3 112 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,2]=4 113 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|1,0,1]=3 114 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|1,0,1]=3 115 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|1,0,1]=3 117 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|1,0,0]=2 118 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|0,0,0]=1 119 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|0,1,0]=2 120 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|0,0,0]=1 122 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|0,1,0]=2 123 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,0,0,0,0,0|2,0,0]=3 130 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,2]=4 131 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,0,0,0,0,0|1,0,1]=3 138 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,1,0,0,0,0|1,0,2]=4 140 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,1,0,0,0,0|2,0,0]=3 144 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|1,0,2]=4 145 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [0,1,0,0,0,0|1,0,2]=4 146 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,1,0,0,0,0|1,0,0]=2 148 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|0,0,3]=4 152 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,1,0,0,0,0|0,0,1]=2 153 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|0,0,3]=4 154 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [0,1,0,0,0,0|0,0,2]=3 155 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|0,0,2]=3 156 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|0,0,2]=3 157 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,2]=3 158 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,1,0,0,0,0|1,0,1]=3 159 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,1,0,0,0,0|1,0,1]=3 160 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|1,0,0]=2 161 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,1,0,0,0,0|0,0,2]=3 163 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|0,0,0]=1 164 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,1,0,0,0,0|0,0,0]=1 165 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|1,0,2]=4 166 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,1,0,0,0,0|2,0,0]=3 167 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|1,0,2]=4 168 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,1,0,0,0,0|1,0,0]=2 169 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,0,0,0,0|1,0,2]=4 170 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|0,0,2]=3 171 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,1,0,0,0,0|1,0,0]=2 172 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [0,1,0,0,0,0|1,0,0]=2 173 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|1,0,2]=4 175 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [0,1,0,0,0,0|1,0,0]=2 178 B9R0.20 CCCCC[Si](Cl)(Cl)CC CNP0393505.0 [0,1,0,0,0,0|1,1,0]=3 179 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|0,0,3]=4 180 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|0,0,2]=3 181 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|0,0,2]=3 182 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,0,0,0,0|1,0,2]=4 183 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|1,0,2]=4 184 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [0,1,0,0,0,0|1,0,0]=2 185 B9R0.24 CC[C@@H](C)SS[C@H](C)CC CNP0145468.1 [0,1,0,0,0,0|3,0,0]=4 186 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,1,0,0,0,0|1,0,0]=2 188 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,0|1,0,2]=4 189 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|1,0,2]=4 190 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|1,0,2]=4 191 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,1,0,0,0,0|1,0,1]=3 192 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|0,0,3]=4 194 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,1,0,0,0,0|0,0,2]=3 195 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,1,0,0,0,0|0,0,2]=3 196 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,1,0,0,0,0|0,0,2]=3 197 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,1,0,0,0,0|0,0,2]=3 198 B9R0.46 CCC#CC#CC(O)CC CNP0132292.0 [0,1,0,0,0,0|0,0,3]=4 199 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [0,1,0,0,0,0|0,0,1]=2 200 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|0,0,2]=3 201 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|1,0,2]=4 202 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,1,0,0,0,0|2,0,0]=3 204 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,1,0,0,0,0|3,0,0]=4 205 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,1,0,0,0,0|1,0,0]=2 206 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,0,0,0,0|0,0,0]=1 207 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,0,0,0,0|2,0,0]=3 209 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,0,0,0,0|0,0,0]=1 210 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|0,0,2]=3 211 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,1,0,0,0,0|2,0,0]=3 212 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,1,0,0,0,0|1,0,0]=2 213 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|1,0,2]=4 215 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|0,0,3]=4 216 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,0,0,0,0|1,0,2]=4 217 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|0,0,2]=3 218 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,1,0,0,0,0|1,0,0]=2 219 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,0,0,0,0|2,0,1]=4 220 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|0,0,1]=2 222 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,0,0,0,0|1,0,1]=3 223 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,0,0,0,0|1,0,1]=3 225 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [0,1,0,0,0,0|1,0,0]=2 226 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,1,0,0,0,0|0,0,0]=1 227 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,1,0,0,0,0|0,0,0]=1 228 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|1,0,2]=4 229 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|1,0,2]=4 230 B9R0.50 C=CC(CC)CC=CCC CNP0580048.0 [0,1,0,0,0,0|1,0,2]=4 231 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,1,0,0,0,0|1,0,0]=2 232 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,1,0,0,0,0|0,0,2]=3 233 B9R0.50 CCCC=CC(OC)OC CNP0003291.0 [0,1,0,0,0,0|1,0,2]=4 234 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,0,0,0,0|0,0,3]=4 235 B9R0.50 CCCSSC(CC)SC CNP0201123.0 [0,1,0,0,0,0|2,1,0]=4 236 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|0,0,2]=3 237 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,0,1,0,0|1,0,2]=4 238 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,0,0,1,0,0|1,0,0]=2 239 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,0,0,1,0,0|0,0,0]=1 240 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,0,0,1,0,0|0,0,0]=1 241 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,0,1,0,0|1,0,2]=4 242 B9R1.1 OC[C@@H]1CC[C@H](CN1)O CNP0271458.1 [0,0,0,1,0,0|2,0,0]=3 243 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,1,0,0|1,0,0]=2 244 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,1,0,0|1,0,1]=3 245 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,1,0,0|1,0,0]=2 246 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,1,0,0|1,0,0]=2 247 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,1,0,0|1,0,0]=2 248 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,1,0,0|1,0,0]=2 249 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,0,0,1,0,0|2,0,1]=4 250 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,0,0,1,0,0|0,0,0]=1 251 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,0,0,1,0,0|1,0,0]=2 252 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,0,0,1,0,0|2,0,0]=3 253 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [0,0,0,1,0,0|2,0,0]=3 254 B9R1.3 C[C@H]1NCC[C@H]([C@@H]1O)O CNP0174732.1 [0,0,0,1,0,0|2,0,0]=3 255 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,0,0,1,0,0|1,0,0]=2 256 B9R1.3 OC1[C@H](CNC[C@@H]1O)O CNP0147107.2 [0,0,0,1,0,0|3,0,0]=4 257 B9R1.3 O[C@@H]1[C@@H](CNC[C@@H]1O)O CNP0147107.1 [0,0,0,1,0,0|3,0,0]=4 258 B9R1.3 O[C@H]1[C@@H](COC[C@@H]1O)O CNP0216496.1 [0,0,0,1,0,0|3,0,0]=4 259 B9R1.3 PC1CCCC(C1P)P CNP0345633.0 [0,0,0,1,0,0|3,0,0]=4 260 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|0,0,2]=3 261 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|1,0,2]=4 262 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,0|1,0,2]=4 263 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,1,0,0|1,0,0]=2 264 B9R1.11 CCC(C)C1OCCO1 CNP0407840.0 [0,0,0,1,0,0|3,0,0]=4 265 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,0,0,1,0,0|0,0,0]=1 266 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,0,0,1,0,0|1,0,0]=2 267 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,0,0,1,0,0|0,1,0]=2 268 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,0,0,1,0,0|0,0,0]=1 269 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,0,0,1,0,0|0,0,0]=1 270 B9R1.21 CC[C@@H]1SS[C@@H](S1)CC CNP0003374.1 [0,0,0,1,0,0|2,1,0]=4 271 B9R1.21 CC[C@H]1SS[C@@H](S1)CC CNP0003374.2 [0,0,0,1,0,0|2,1,0]=4 272 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO CNP0531735.1 [0,0,0,1,0,0|2,0,0]=3 273 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|1,0,1]=3 274 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|1,0,0]=2 275 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|0,0,2]=3 276 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [0,0,0,1,0,0|1,0,0]=2 277 B9R1.132 OC[C@@H]1NC[C@@H]([C@@H]1O)O CNP0229859.7 [0,0,0,1,0,0|3,0,0]=4 278 B9R1.132 OC[C@@H]1NC[C@@H]([C@H]1O)O CNP0229859.6 [0,0,0,1,0,0|3,0,0]=4 279 B9R1.132 OC[C@@H]1NC[C@H]([C@@H]1O)O CNP0229859.8 [0,0,0,1,0,0|3,0,0]=4 280 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O CNP0229859.5 [0,0,0,1,0,0|3,0,0]=4 281 B9R1.132 OC[C@@H]1OC[C@H]([C@@H]1O)O CNP0039906.1 [0,0,0,1,0,0|3,0,0]=4 282 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O CNP0229859.3 [0,0,0,1,0,0|3,0,0]=4 283 B9R1.132 OC[C@H]1NC[C@@H]([C@H]1O)O CNP0229859.2 [0,0,0,1,0,0|3,0,0]=4 284 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O CNP0229859.1 [0,0,0,1,0,0|3,0,0]=4 285 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O CNP0229859.4 [0,0,0,1,0,0|3,0,0]=4 286 B9R1.132 OC[C@H]1SC[C@H]([C@@H]1O)O CNP0356032.1 [0,0,0,1,0,0|3,0,0]=4 287 B6R0.6 C#CCCCCO CNP0289179.0 [2,0,0,0,0,0|0,0,2]=4 288 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,2]=4 289 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|0,0,2]=4 290 B6R0.6 CC#CCCCO CNP0320046.0 [2,0,0,0,0,0|0,0,2]=4 291 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,2]=4 292 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|0,0,2]=4 293 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|0,0,2]=4 296 B6R0.6 CCCC#CCO CNP0314465.0 [2,0,0,0,0,0|0,0,2]=4 297 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 302 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,0]=2 303 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,0]=3 304 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,0]=2 305 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,0]=3 306 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,1]=3 307 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,0]=3 308 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 311 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,1,0]=4 318 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.6 NCCCCCN CNP0184259.0 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,0]=3 324 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,0]=3 325 B6R0.6 OCCNCCO CNP0247543.0 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|2,0,0]=4 327 B6R0.6 OCCSCCO CNP0335773.0 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [2,0,0,0,0,0|0,0,2]=4 329 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [2,0,0,0,0,0|0,0,2]=4 330 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|0,0,2]=4 331 B6R0.1 CCC(Br)CCBr CNP0612222.0 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,0,2]=4 333 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|1,0,0]=3 334 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,0,0]=2 337 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,0,0]=2 341 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|2,0,0]=4 342 B6R0.1 CCSC(S)CC CNP0488688.0 [2,0,0,0,0,0|1,1,0]=4 343 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|2,0,0]=4 344 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|2,0,0]=4 345 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [2,0,0,0,0,0|2,0,0]=4 346 B6R0.1 COC[C@H](O)CO CNP0105123.2 [2,0,0,0,0,0|2,0,0]=4 347 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [2,0,0,0,0,0|2,0,0]=4 348 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [2,0,0,0,0,0|2,0,0]=4 350 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|0,0,2]=4 351 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|2,0,0]=4 352 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|0,0,2]=4 353 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 354 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,2]=4 356 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,1]=4 357 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,0]=3 358 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,1]=4 359 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,0]=2 360 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,0]=2 361 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.4 CCCSC(C)S CNP0609747.0 [2,0,0,0,0,0|1,1,0]=4 363 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,0]=3 365 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|2,0,0]=4 366 B6R0.4 CNCCC(C)C CNP0254439.0 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|2,0,0]=4 368 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [2,0,0,0,0,0|1,0,0]=3 369 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|0,0,2]=4 370 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|0,0,2]=4 371 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|0,0,2]=4 372 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|0,0,2]=4 373 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|1,0,0]=3 374 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|0,0,1]=3 375 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|0,0,0]=2 377 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|0,0,0]=2 378 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [1,1,0,0,0,0|2,0,0]=4 381 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,1,0,0,0,0|0,0,1]=3 384 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,1,0,0,0,0|0,0,2]=4 385 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,1,0,0,0,0|0,0,1]=3 386 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|0,0,2]=4 387 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|0,0,1]=3 388 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,1,0,0,0,0|0,0,2]=4 389 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|0,0,1]=3 390 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|0,0,2]=4 391 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,1,0,0,0,0|0,0,1]=3 392 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|0,0,1]=3 393 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,1,0,0,0,0|0,0,2]=4 394 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|0,0,2]=4 396 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|0,0,2]=4 397 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,1,0,0,0,0|0,0,1]=3 399 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,1,0,0,0,0|0,0,1]=3 400 B8R0.4 CCCCCCCCC CNP0402619.0 [1,1,0,0,0,0|0,0,0]=2 401 B8R0.4 CCCCCCCCN CNP0065900.0 [1,1,0,0,0,0|0,0,0]=2 402 B8R0.4 CCCCCCCCO CNP0368614.0 [1,1,0,0,0,0|0,0,0]=2 403 B8R0.4 CCCCCCCNC CNP0216624.0 [1,1,0,0,0,0|0,0,0]=2 404 B8R0.4 CCCCCCCOO CNP0566054.0 [1,1,0,0,0,0|1,0,0]=3 405 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,1,0,0,0,0|0,0,1]=3 406 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,1,0,0,0,0|1,0,1]=4 407 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,1,0,0,0,0|1,0,1]=4 408 B8R0.4 CCCCCCOCC CNP0609034.0 [1,1,0,0,0,0|0,0,0]=2 409 B8R0.4 CCCCCCSSC CNP0510251.0 [1,1,0,0,0,0|1,0,0]=3 410 B8R0.4 CCCCNCCCC CNP0203128.0 [1,1,0,0,0,0|0,0,0]=2 411 B8R0.4 CCCCOCCCC CNP0077266.0 [1,1,0,0,0,0|0,0,0]=2 412 B8R0.4 CCCCOCCCO CNP0141373.0 [1,1,0,0,0,0|1,0,0]=3 413 B8R0.4 CCCCSCCCC CNP0370059.0 [1,1,0,0,0,0|0,0,0]=2 414 B8R0.4 CCCCSSCCC CNP0003137.0 [1,1,0,0,0,0|1,0,0]=3 415 B8R0.4 CCCSSSCCC CNP0085911.0 [1,1,0,0,0,0|2,0,0]=4 416 B8R0.4 CCNCCCNCC CNP0239670.0 [1,1,0,0,0,0|1,0,0]=3 417 B8R0.4 CCOCCOCCO CNP0079970.0 [1,1,0,0,0,0|2,0,0]=4 418 B8R0.4 COCCOCCOC CNP0466646.0 [1,1,0,0,0,0|2,0,0]=4 419 B8R0.4 CSCCCCCC#N CNP0267304.0 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.4 NCCCNCCCN CNP0609056.0 [1,1,0,0,0,0|2,0,0]=4 421 B8R0.4 NCCCOCCCN CNP0453820.0 [1,1,0,0,0,0|2,0,0]=4 422 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|0,0,2]=4 423 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,1,0,0,0,0|0,0,2]=4 424 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,1,0,0,0,0|1,0,1]=4 425 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,1,0,0,0,0|2,0,0]=4 427 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [1,1,0,0,0,0|0,0,2]=4 428 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|0,0,2]=4 429 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|0,0,2]=4 430 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,2]=4 431 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|0,0,1]=3 432 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|1,0,1]=4 434 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|1,0,1]=4 435 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|0,0,0]=2 436 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|0,0,0]=2 437 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|0,0,0]=2 438 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|0,0,0]=2 439 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|0,0,0]=2 440 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,1,0,0,0,0|2,0,0]=4 441 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,1,0,0,0,0|2,0,0]=4 442 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|1,0,1]=4 443 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|1,0,0]=3 444 B8R0.7 CCCCSSC(C)C CNP0003138.0 [1,1,0,0,0,0|2,0,0]=4 445 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|1,0,1]=4 446 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [1,1,0,0,0,0|2,0,0]=4 447 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [1,1,0,0,0,0|1,0,1]=4 448 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|0,0,2]=4 449 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [1,1,0,0,0,0|0,0,0]=2 450 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [1,1,0,0,0,0|1,0,0]=3 451 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|0,0,2]=4 452 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [1,1,0,0,0,0|1,0,0]=3 453 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [1,1,0,0,0,0|0,0,0]=2 454 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [1,1,0,0,0,0|1,0,0]=3 455 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [1,1,0,0,0,0|0,0,0]=2 456 B8R0.3 OCC[C@H](O)[C@H](O)CO CNP0216984.1 [1,1,0,0,0,0|2,0,0]=4 457 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|0,0,2]=4 458 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,2]=4 459 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,2]=4 460 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,1,0,0,0,0|1,0,0]=3 461 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [1,1,0,0,0,0|0,0,0]=2 462 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,1,0,0,0,0|1,0,0]=3 463 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,1,0,0,0,0|1,0,1]=4 464 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [1,1,0,0,0,0|1,0,0]=3 465 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [1,1,0,0,0,0|1,0,0]=3 466 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [1,1,0,0,0,0|1,0,1]=4 467 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [1,1,0,0,0,0|1,0,0]=3 468 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|0,0,2]=4 469 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,2]=4 470 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,1,0,0,0,0|1,0,0]=3 472 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,1,0,0,0,0|0,0,0]=2 474 B8R0.11 CCC(CO)CCNC CNP0141963.0 [1,1,0,0,0,0|1,0,0]=3 475 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|0,0,1]=3 476 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [1,1,0,0,0,0|1,0,0]=3 477 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,1,0,0,0,0|0,1,0]=3 478 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|1,0,0]=3 479 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|0,0,1]=3 480 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,1,0,0,0,0|0,0,0]=2 481 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|0,0,1]=3 482 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,1,0,0,0,0|0,0,0]=2 483 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|0,0,2]=4 484 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|0,0,2]=4 485 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [1,1,0,0,0,0|2,0,0]=4 486 B8R0.19 CCC(S)SC(S)CC CNP0098447.0 [1,1,0,0,0,0|1,1,0]=4 487 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [1,1,0,0,0,0|1,0,0]=3 488 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [1,1,0,0,0,0|0,0,0]=2 489 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|1,0,1]=4 490 B8R0.19 OC[C@@H](O)C[C@H](O)CO CNP0338716.1 [1,1,0,0,0,0|2,0,0]=4 491 B8R0.25 CCCC[Si](Cl)(Cl)CC CNP0222003.0 [1,1,0,0,0,0|1,1,0]=4 492 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [1,1,0,0,0,0|0,0,2]=4 494 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [1,1,0,0,0,0|0,0,2]=4 495 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [1,1,0,0,0,0|0,0,2]=4 496 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [1,1,0,0,0,0|0,0,2]=4 497 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|1,0,1]=4 498 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,2]=4 499 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,0]=3 500 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|0,0,0]=2 501 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,1]=4 502 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|1,0,1]=4 503 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,1]=4 504 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|1,0,1]=4 505 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|1,0,1]=4 506 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,1,0,0,0,0|0,1,0]=3 507 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|0,0,1]=3 508 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,1,0,0,0,0|0,0,2]=4 509 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,1,0,0,0,0|0,0,2]=4 510 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,2]=4 511 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,1,0,0,0,0|1,0,0]=3 513 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,1,0,0,0,0|1,0,0]=3 514 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,1,0,0,0,0|1,0,0]=3 515 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,1,0,0,0,0|0,0,0]=2 516 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [1,1,0,0,0,0|2,0,0]=4 517 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [1,1,0,0,0,0|2,0,0]=4 518 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,1,0,0,0,0|1,0,0]=3 519 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|1,0,1]=4 520 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,2,0,0,0,0|1,0,1]=4 521 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,2,0,0,0,0|1,0,1]=4 522 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,2,0,0,0,0|1,0,1]=4 523 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,2,0,0,0,0|1,0,1]=4 524 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,2,0,0,0,0|1,0,1]=4 525 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,2,0,0,0,0|1,0,0]=3 526 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,2,0,0,0,0|1,0,0]=3 527 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,2,0,0,0,0|1,0,0]=3 528 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,2,0,0,0,0|1,0,1]=4 529 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,2]=4 530 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,2]=4 531 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [0,2,0,0,0,0|0,0,0]=2 532 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,2,0,0,0,0|0,0,2]=4 533 B10R0.44 CC[C@H](C)C[C@H](C)CC(C)C CNP0312404.1 [0,2,0,0,0,0|1,0,0]=3 534 B10R0.57 CCC(O)C(O)CCC(=O)O CNP0552355.0 [0,2,0,0,0,0|1,0,1]=4 535 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [0,2,0,0,0,0|0,0,1]=3 536 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [0,2,0,0,0,0|0,0,1]=3 537 B10R0.59 CCC(C)CCCC(C)C=O CNP0002769.0 [0,2,0,0,0,0|1,0,0]=3 538 B10R0.59 CCC(C)CCCC(C)CC CNP0203381.0 [0,2,0,0,0,0|1,0,0]=3 539 B10R0.59 OCC(O)COCC(O)CO CNP0076770.0 [0,2,0,0,0,0|2,0,0]=4 540 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [0,2,0,0,0,0|1,0,1]=4 541 B10R0.60 CC[C@@H](C)CCCC(C)(C)O CNP0309956.2 [0,2,0,0,0,0|1,0,0]=3 542 B10R0.60 CC[C@H](C)CCCC(C)(C)O CNP0309956.1 [0,2,0,0,0,0|1,0,0]=3 543 B10R0.65 C=C(C)CCCC(C)(O)CC CNP0076879.0 [0,2,0,0,0,0|0,0,1]=3 544 B10R0.65 C=CC(C)(O)CCCC(C)C CNP0150178.0 [0,2,0,0,0,0|0,0,2]=4 545 B10R0.65 CCC(C)(C)CCCC(C)C CNP0527560.0 [0,2,0,0,0,0|1,0,0]=3 546 B10R0.65 CCC(C)(O)CCC=C(C)C CNP0080062.0 [0,2,0,0,0,0|0,0,2]=4 547 B10R0.65 CCC(C)(O)CCCC(C)C CNP0083056.0 [0,2,0,0,0,0|0,0,0]=2 548 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|0,0,2]=4 549 B10R0.1 CCCC=CCC(C)CCC CNP0147977.0 [0,2,0,0,0,0|1,0,1]=4 550 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|0,0,2]=4 551 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,2]=4 552 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,2,0,0,0,0|0,0,0]=2 553 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,2,0,0,0,0|0,0,0]=2 554 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,2,0,0,0,0|1,0,0]=3 555 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,2,0,0,0,0|0,0,0]=2 556 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|0,0,2]=4 557 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,2,0,0,0,0|1,0,0]=3 558 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [0,2,0,0,0,0|2,0,0]=4 559 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,2]=4 560 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,2]=4 561 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,2]=4 562 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,2,0,0,0,0|1,0,1]=4 563 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,2,0,0,0,0|0,0,1]=3 564 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,2,0,0,0,0|1,0,1]=4 565 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,2,0,0,0,0|0,0,1]=3 566 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|1,0,1]=4 567 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|1,0,1]=4 568 B10R0.19 CCCCC(C)C(C)CCC CNP0086078.0 [0,2,0,0,0,0|1,0,0]=3 569 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,2]=4 570 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,2]=4 571 B10R0.19 CCCC[C@H](O)[C@@H](C)CCC CNP0167037.1 [0,2,0,0,0,0|1,0,0]=3 572 B10R0.19 CCCC[C@H](O)[C@H](C)CCC CNP0167037.2 [0,2,0,0,0,0|1,0,0]=3 573 B10R0.24 CCCCCC(CO)CCC CNP0552368.0 [0,2,0,0,0,0|0,0,0]=2 574 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|1,0,1]=4 575 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|1,0,1]=4 576 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,2,0,0,0,0|1,0,0]=3 577 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|0,0,2]=4 578 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|0,0,2]=4 579 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|0,0,2]=4 580 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,2]=4 581 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,2]=4 582 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|0,0,2]=4 583 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,2,0,0,0,0|1,0,0]=3 584 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,2,0,0,0,0|1,0,0]=3 585 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,2,0,0,0,0|0,0,2]=4 586 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,2,0,0,0,0|1,0,0]=3 587 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,2,0,0,0,0|1,0,0]=3 588 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,2,0,0,0,0|0,0,2]=4 589 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|1,0,1]=4 590 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,2,0,0,0,0|1,0,1]=4 591 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,2,0,0,0,0|1,0,1]=4 592 B10R0.156 CCCCCC(C)(C)CC#N CNP0231406.0 [0,2,0,0,0,0|1,0,1]=4 593 B10R0.156 CCCCCC(C)(C)CCC CNP0534660.0 [0,2,0,0,0,0|1,0,0]=3 594 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|0,0,2]=4 595 B10R0.81 CCCCC(Br)C(O)C(Br)Br CNP0017707.0 [0,2,0,0,0,0|1,0,0]=3 596 B10R0.85 C#CC(O)C(CC)CCCC CNP0600090.0 [0,2,0,0,0,0|0,0,2]=4 597 B10R0.124 CCCCC(Br)(Br)[C@@H](O)CBr CNP0283651.1 [0,2,0,0,0,0|1,0,0]=3 598 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [0,2,0,0,0,0|1,0,1]=4 599 B10R0.62 [2H]C([2H])(CC)CCCOCC CNP0539193.0 [0,2,0,0,0,0|1,0,0]=3 600 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [0,2,0,0,0,0|0,0,1]=3 601 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [0,2,0,0,0,0|1,0,0]=3 602 B10R0.41 CCCCSSC(CC)SC CNP0362944.0 [0,2,0,0,0,0|1,1,0]=4 603 B10R0.55 CC(C)CCCCC(C)CO CNP0444832.0 [0,2,0,0,0,0|2,0,0]=4 604 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,2,0,0,0,0|1,0,0]=3 605 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,2,0,0,0,0|1,0,1]=4 606 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,2,0,0,0,0|0,0,2]=4 607 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,2,0,0,0,0|1,0,0]=3 608 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|0,0,2]=4 609 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,2,0,0,0,0|2,0,0]=4 610 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,2,0,0,0,0|1,0,0]=3 611 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,2,0,0,0,0|1,0,0]=3 612 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,2,0,0,0,0|0,0,0]=2 613 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,2,0,0,0,0|1,0,0]=3 614 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,2,0,0,0,0|0,0,0]=2 615 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|0,0,2]=4 616 B10R0.74 NCCCCNCC(O)CN CNP0547539.0 [0,2,0,0,0,0|1,0,0]=3 617 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,2,0,0,0,0|1,0,1]=4 618 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,2,0,0,0,0|1,0,1]=4 619 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|0,0,2]=4 620 B10R0.5 CCCC=CC(O)C(C)(C)C CNP0085642.0 [0,2,0,0,0,0|0,0,2]=4 621 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,2,0,0,0,0|1,0,1]=4 622 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,2,0,0,0,0|0,0,0]=2 623 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,2,0,0,0,0|0,0,1]=3 624 B10R0.86 CN[C@@H](CCCCN)C(=O)O CNP0039590.1 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|0,0,2]=4 626 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|0,0,0]=2 627 B8R1.2 CCN1CCOCC1 CNP0382188.0 [1,0,0,1,0,0|2,0,0]=4 628 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|1,0,0]=3 629 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|0,0,2]=4 630 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|1,0,0]=3 631 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|1,0,0]=3 632 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|1,0,0]=3 633 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,0,0,1,0,0|2,0,0]=4 634 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|1,0,1]=4 635 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,1,0,0|2,0,0]=4 636 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|2,0,0]=4 637 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|2,0,0]=4 638 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|2,0,0]=4 639 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,1,0,0|1,0,1]=4 640 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|0,0,2]=4 641 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|1,0,1]=4 642 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,1,0,0|1,0,0]=3 643 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|0,0,0]=2 644 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|0,0,0]=2 645 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|2,0,0]=4 646 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|2,0,0]=4 647 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|2,0,0]=4 648 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|2,0,0]=4 649 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,0,0,1,0,0|2,0,0]=4 650 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,0,0,1,0,0|2,0,0]=4 651 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,0,0,1,0,0|2,0,0]=4 652 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,0,0,1,0,0|2,0,0]=4 653 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|0,0,2]=4 654 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|0,0,0]=2 655 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|2,0,0]=4 656 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,1,0,0|2,0,0]=4 658 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|0,0,0]=2 659 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|0,0,2]=4 660 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|1,0,1]=4 661 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|0,0,0]=2 662 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|0,0,0]=2 663 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|1,0,1]=4 664 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|0,0,0]=2 665 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|2,0,0]=4 666 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|0,0,2]=4 667 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [1,0,0,1,0,0|1,0,0]=3 668 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|0,0,0]=2 669 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [1,0,0,1,0,0|1,1,0]=4 670 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|1,0,1]=4 671 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,0]=3 672 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,0]=3 673 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [1,0,0,1,0,0|1,0,0]=3 675 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|0,0,2]=4 676 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [1,0,0,1,0,0|2,0,0]=4 677 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [1,0,0,1,0,0|2,0,0]=4 678 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [1,0,0,1,0,0|1,0,0]=3 679 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [1,0,0,1,0,0|0,0,0]=2 680 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [1,0,0,1,0,0|1,0,0]=3 681 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [1,0,0,1,0,0|1,0,0]=3 682 B8R1.50 CN1CCC(C1O)O CNP0479127.0 [1,0,0,1,0,0|2,0,0]=4 683 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [1,0,0,1,0,0|1,0,0]=3 684 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [1,0,0,1,0,0|1,0,0]=3 685 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [1,0,0,1,0,0|1,0,0]=3 686 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [1,0,0,1,0,0|1,0,0]=3 687 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [1,0,0,1,0,0|2,0,0]=4 688 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 689 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|0,0,2]=4 690 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|0,0,2]=4 691 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|0,0,2]=4 692 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [1,0,0,1,0,0|2,0,0]=4 693 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 694 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|1,0,1]=4 695 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,0]=3 696 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|0,0,0]=2 697 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,0,0,1,0,0|1,0,0]=3 698 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,0]=3 699 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|0,0,0]=2 700 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,0,0,1,0,0|1,0,0]=3 701 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 702 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|1,0,1]=4 703 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|0,0,0]=2 704 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|0,0,0]=2 705 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [1,0,0,1,0,0|1,0,0]=3 706 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,0,0,1,0,0|1,0,0]=3 707 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,1,0,0|0,0,0]=2 708 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,1]=4 709 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [1,0,0,1,0,0|2,0,0]=4 710 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [1,0,0,1,0,0|2,0,0]=4 711 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [1,0,0,1,0,0|1,0,0]=3 712 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,0,0,1,0,0|1,0,0]=3 713 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,0,0,1,0,0|0,0,0]=2 714 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|0,0,2]=4 715 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|0,0,2]=4 716 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [1,0,0,1,0,0|1,0,1]=4 717 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,1,0,1,0,0|1,0,1]=4 718 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,1,0,1,0,0|1,0,1]=4 719 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,1,0,1,0,0|1,0,1]=4 720 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,1,0,0|0,0,2]=4 721 B10R1.13 CC(C)C1CCC(CC1)O CNP0080136.0 [0,1,0,1,0,0|0,0,0]=2 722 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,1,0,1,0,0|1,0,0]=3 723 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,1,0,1,0,0|1,0,0]=3 724 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,1,0,0|0,0,2]=4 725 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,1,0,1,0,0|0,0,0]=2 726 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,1,0,0|0,0,2]=4 727 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,1,0,1,0,0|1,0,1]=4 728 B10R1.31 CC(I)C1OCC(O1)CO CNP0415648.0 [0,1,0,1,0,0|2,0,0]=4 729 B10R1.54 C=C(C)CC1CCC(C1)C CNP0211538.0 [0,1,0,1,0,0|1,0,1]=4 730 B10R1.194 CC(=O)[C@@H]1CO[C@@H]([C@@H]1C)O CNP0351311.3 [0,1,0,1,0,0|1,0,1]=4 731 B10R1.194 CC(=O)[C@@H]1CO[C@H]([C@@H]1C)O CNP0351311.2 [0,1,0,1,0,0|1,0,1]=4 732 B10R1.194 CC(=O)[C@H]1CO[C@@H]([C@H]1C)O CNP0351311.1 [0,1,0,1,0,0|1,0,1]=4 733 B10R1.194 CC(C)C1CCC(C1C)C CNP0058369.0 [0,1,0,1,0,0|1,0,0]=3 734 B10R1.194 C[C@@H](O)[C@H]1NC[C@H]([C@H]1O)O CNP0448854.1 [0,1,0,1,0,0|2,0,0]=4 735 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|0,0,2]=4 736 B10R1.485 CC[C@@]1(CCC[C@@H](C1)C)O CNP0046159.2 [0,1,0,1,0,0|0,0,0]=2 737 B10R1.485 CC[C@@]1(CCC[C@H](C1)C)O CNP0046159.3 [0,1,0,1,0,0|0,0,0]=2 738 B10R1.485 CC[C@]1(CCC[C@@H](C1)C)O CNP0046159.4 [0,1,0,1,0,0|0,0,0]=2 739 B10R1.485 CC[C@]1(CCC[C@H](C1)C)O CNP0046159.1 [0,1,0,1,0,0|0,0,0]=2 740 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,1,0,1,0,0|1,0,1]=4 741 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,1,0,1,0,0|1,0,1]=4 742 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|1,0,1]=4 743 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,1,0,1,0,0|1,0,0]=3 744 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,1,0,1,0,0|1,0,0]=3 745 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,1,0,1,0,0|1,1,0]=4 746 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,1,0,1,0,0|1,0,0]=3 747 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,1,0,1,0,0|1,0,0]=3 748 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,1,0,1,0,0|1,1,0]=4 749 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,1,0,1,0,0|2,0,0]=4 750 B10R1.11 CCCC(C)C1CCCC1 CNP0519344.0 [0,1,0,1,0,0|1,0,0]=3 751 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [0,1,0,1,0,0|1,0,0]=3 752 B10R1.21 CCCCCC1NCCS1 CNP0234327.0 [0,1,0,1,0,0|0,1,0]=3 753 B10R1.21 NCCOC[C@@H]1CCCO1 CNP0485618.1 [0,1,0,1,0,0|2,0,0]=4 754 B10R1.21 NCCOC[C@H]1CCCO1 CNP0485618.2 [0,1,0,1,0,0|2,0,0]=4 755 B10R1.25 CO[C@H]1OC[C@H](C[C@H]1O)O CNP0269541.1 [0,1,0,1,0,0|2,0,0]=4 756 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,2]=4 757 B10R1.29 OCCC[C@@H]1NCC[C@H]1O CNP0068200.1 [0,1,0,1,0,0|1,0,0]=3 758 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|0,0,2]=4 759 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [0,1,0,1,0,0|1,0,0]=3 760 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,1,0,1,0,0|0,0,2]=4 761 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,1,0,0|0,0,2]=4 762 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [0,1,0,1,0,0|0,0,0]=2 763 B10R1.35 COC1CC(C(O1)CO)O CNP0552573.0 [0,1,0,1,0,0|2,0,0]=4 764 B10R1.35 CO[C@H]1O[C@H](C[C@@H]1O)CO CNP0137740.1 [0,1,0,1,0,0|2,0,0]=4 765 B10R1.119 C[C@@H]1NC[C@H]([C@@H]([C@@H]1O)O)O CNP0299396.1 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.119 C[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O CNP0299396.2 [0,1,0,1,0,0|2,0,0]=4 767 B10R1.119 O[C@@H]1[C@@H]([C@H](CC[C@H]1O)O)O CNP0275191.1 [0,1,0,1,0,0|2,0,0]=4 768 B10R1.176 NC[C@@H]1CC[C@@H]([C@H](O1)O)N CNP0106376.1 [0,1,0,1,0,0|2,0,0]=4 769 B10R1.176 OC[C@@H]1C[C@@H]([C@@H](CN1)O)O CNP0346870.1 [0,1,0,1,0,0|2,0,0]=4 770 B10R1.176 OC[C@@H]1C[C@H]([C@@H](CN1)O)O CNP0346870.3 [0,1,0,1,0,0|2,0,0]=4 771 B10R1.176 OC[C@@H]1C[C@H]([C@H](CN1)O)O CNP0346870.2 [0,1,0,1,0,0|2,0,0]=4 772 B10R1.230 C#C[C@@]1(CCCC[C@@H]1O)O CNP0175210.1 [0,1,0,1,0,0|0,0,2]=4 773 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|0,0,2]=4 774 B10R1.3 OCC1CCC(CC1)CO CNP0498480.0 [0,1,0,1,0,0|1,0,0]=3 775 B10R1.473 C#C[C@@]1(CC[C@@H](CC1)O)O CNP0148928.1 [0,1,0,1,0,0|0,0,2]=4 776 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,1,0,1,0,0|0,0,1]=3 777 B10R1.8 CC[C@@H]1C[C@@H](C[C@@H](C1)C)C CNP0177504.1 [0,1,0,1,0,0|1,0,0]=3 778 B10R1.22 CC1OC(C[C@H]([C@@H]1O)O)O CNP0304270.3 [0,1,0,1,0,0|2,0,0]=4 779 B10R1.22 C[C@@H]1O[C@H](C[C@@H]([C@@H]1O)O)O CNP0304270.7 [0,1,0,1,0,0|2,0,0]=4 780 B10R1.22 C[C@@H]1O[C@H](C[C@H]([C@H]1O)O)O CNP0304270.4 [0,1,0,1,0,0|2,0,0]=4 781 B10R1.22 C[C@H]1OC(C[C@H]([C@@H]1O)O)O CNP0304270.9 [0,1,0,1,0,0|2,0,0]=4 782 B10R1.22 C[C@H]1O[C@@H](C[C@@H]([C@@H]1O)O)O CNP0304270.6 [0,1,0,1,0,0|2,0,0]=4 783 B10R1.22 C[C@H]1O[C@@H](C[C@@H]([C@H]1O)O)O CNP0304270.5 [0,1,0,1,0,0|2,0,0]=4 784 B10R1.22 C[C@H]1O[C@@H](C[C@H]([C@@H]1O)O)O CNP0304270.8 [0,1,0,1,0,0|2,0,0]=4 785 B10R1.22 C[C@H]1O[C@@H](C[C@H]([C@H]1O)O)O CNP0304270.2 [0,1,0,1,0,0|2,0,0]=4 786 B10R1.22 C[C@H]1O[C@H](C[C@H]([C@@H]1O)O)O CNP0304270.1 [0,1,0,1,0,0|2,0,0]=4 787 B10R1.22 OC1CC(C(C(C1)O)O)O CNP0538272.0 [0,1,0,1,0,0|2,0,0]=4 788 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,1,0,1,0,0|0,0,2]=4 789 B10R1.27 CC[C@@H](C)SC1CCCC1 CNP0227462.1 [0,1,0,1,0,0|1,0,0]=3 790 B10R1.27 CNC(C)CC1CCCC1 CNP0286967.0 [0,1,0,1,0,0|2,0,0]=4 791 B10R1.131 C/C=C/C1C[C@@H]([C@H](C1)O)O CNP0195805.1 [0,1,0,1,0,0|0,0,2]=4 792 B10R1.131 C/C=C/[C@H]1C[C@H]([C@H](C1)O)O CNP0195805.2 [0,1,0,1,0,0|0,0,2]=4 793 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|1,0,1]=4 794 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [0,1,0,1,0,0|1,0,1]=4 795 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [0,1,0,1,0,0|0,0,0]=2 796 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [0,1,0,1,0,0|0,0,0]=2 797 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [0,1,0,1,0,0|0,0,0]=2 798 B10R1.2 OC[C@@H]1NCC[C@H]([C@H]1O)O CNP0235839.2 [0,1,0,1,0,0|2,0,0]=4 799 B10R1.2 OC[C@H]1CNC[C@H]([C@@H]1O)O CNP0583916.1 [0,1,0,1,0,0|2,0,0]=4 800 B10R1.2 OC[C@H]1NCC[C@@H]([C@@H]1O)O CNP0235839.3 [0,1,0,1,0,0|2,0,0]=4 801 B10R1.2 OC[C@H]1NCC[C@@H]([C@H]1O)O CNP0235839.4 [0,1,0,1,0,0|2,0,0]=4 802 B10R1.2 OC[C@H]1NCC[C@H]([C@@H]1O)O CNP0235839.1 [0,1,0,1,0,0|2,0,0]=4 803 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|0,0,2]=4 804 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|0,0,2]=4 805 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,1,0,1,0,0|1,0,1]=4 806 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [0,1,0,1,0,0|0,0,0]=2 807 B10R1.172 OCC1COCC(O1)CO CNP0564335.0 [0,1,0,1,0,0|2,0,0]=4 808 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,1,0,1,0,0|1,0,0]=3 809 B10R1.487 COC1(CCCCC1)OC CNP0076484.0 [0,1,0,1,0,0|1,0,0]=3 810 B10R1.487 OCC1(CCCCC1)CO CNP0499074.0 [0,1,0,1,0,0|1,0,0]=3 811 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,2,0,0|1,0,1]=4 812 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,0,0,2,0,0|1,0,0]=3 813 B10R2.109 C=CC1CCC2OC2C1 CNP0491620.0 [0,0,0,2,0,0|0,0,2]=4 814 B10R2.409 C1CC2CCC1CNC2 CNP0190314.0 [0,0,0,2,0,0|2,0,0]=4 815 B10R2.582 BrC12CCN(CC1)CC2 CNP0478442.0 [0,0,0,2,0,0|2,0,0]=4 816 B10R2.582 CC12CCN(CC1)CC2 CNP0442968.0 [0,0,0,2,0,0|2,0,0]=4 817 B10R2.582 ClC12CCN(CC1)CC2 CNP0440948.0 [0,0,0,2,0,0|2,0,0]=4 818 B10R2.582 IC12CCN(CC1)CC2 CNP0453423.0 [0,0,0,2,0,0|2,0,0]=4 819 B10R2.582 NC12CCN(CC1)CC2 CNP0442308.0 [0,0,0,2,0,0|2,0,0]=4 820 B10R2.408 C1C[C@H]2CCC[C@@H](C1)S2 CNP0191690.1 [0,0,0,2,0,0|0,1,0]=3 821 B10R2.41 CN1[C@@H]2CCC[C@H]1CC2 CNP0085489.1 [0,0,0,2,0,0|2,0,0]=4 822 B10R2.179 CC12CCCC(C1O2)O CNP0426753.0 [0,0,0,2,0,0|1,0,0]=3 823 B10R2.110 C1CCC2CCC2CC1 CNP0542798.0 [0,0,0,2,0,0|1,0,0]=3 824 B10R2.32 C[C@@H]1CS[C@H]2[C@H]1CCC2 CNP0357997.1 [0,0,0,2,0,0|2,0,0]=4 825 B10R2.32 C[C@H]1CCN2[C@H]1CCC2 CNP0001290.1 [0,0,0,2,0,0|2,0,0]=4 826 B10R2.82 CCCCC1CC12CC2 CNP0076165.0 [0,0,0,2,0,0|1,0,0]=3 827 B10R2.201 [O-][N+]12CCCC1CCC2 CNP0572592.0 [0,0,0,2,0,0|1,0,1]=4 828 B10R2.129 C=CC1(CC2CC1C2)O CNP0605479.0 [0,0,0,2,0,0|0,0,2]=4