0 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,0,0,0,0,0|0,0,4]=4 13 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,0,0,0,0,0|0,0,4]=4 16 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,0,0,0,0,0|0,0,2]=2 18 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,0,0,0,0,0|0,0,2]=2 20 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,0,0,0,0,0|0,0,2]=2 21 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,0,0,0,0,0|1,0,1]=2 24 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,0,0,0,0,0|0,0,0]=0 27 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,0,0,0,0,0|0,0,0]=0 29 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,0,0,0,0,0|1,0,2]=3 32 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,0,0,0,0,0|2,0,1]=3 33 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,0,0,0,0,0|1,0,0]=1 34 B8R0.7 CCCCSSC(C)C CNP0003138.0 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,0,0,0,0,0|1,0,2]=3 36 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.7 C[S+]([O-])CCCCC#N CNP0595821.0 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.7 C[S@@+]([O-])CCCCC#N CNP0595821.1 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|0,0,2]=3 47 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|0,0,2]=3 50 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.1 CCCC#CCCC CNP0381743.0 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|0,0,2]=3 56 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|0,0,0]=1 59 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|0,0,0]=1 61 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|1,1,1]=4 63 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.1 CCCSSCCC CNP0328321.0 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.1 CCCSSSCC CNP0094065.0 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.1 CCNCCNCC CNP0103183.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.1 CCSCSSCC CNP0079298.0 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.1 CSCCCC=NO CNP0610383.0 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.1 CSCCCCC#N CNP0183103.0 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.1 NCCCCCCN CNP0230906.0 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.1 NCCCNCCS CNP0050642.0 [1,0,0,0,0,0|2,1,0]=4 83 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,0,0,0,0|1,0,0]=2 86 B7R0.1 OCCCCN=C=S CNP0611896.0 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.1 OCCCSCCO CNP0079791.0 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.1 OCCSSCCO CNP0279278.0 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.1 SCCCCCCS CNP0089642.0 [1,0,0,0,0,0|1,1,0]=3 90 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [1,0,0,0,0,0|0,0,3]=4 91 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|0,0,2]=3 92 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,0,0,0,0|1,0,0]=2 95 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,0,0,0,0,0|0,0,2]=3 97 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,0,0,0,0,0|0,0,2]=3 98 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,2]=3 99 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,2]=4 100 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,0]=2 103 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|1,0,0]=2 105 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|0,0,0]=1 106 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|0,1,0]=2 107 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|0,0,0]=1 109 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|0,1,0]=2 110 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,0,0,0,0,0|2,0,0]=3 117 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,2]=4 122 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,0,0,0,0,0|1,0,1]=3 125 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,1,0,0,0,0|1,0,2]=4 127 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,1,0,0,0,0|2,0,0]=3 131 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [0,1,0,0,0,0|1,0,2]=4 133 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,1,0,0,0,0|0,0,0]=1 135 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,1,0,0,0,0|1,0,2]=4 136 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,1,0,0,0,0|0,0,3]=4 139 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,1,0,0,0,0|0,0,3]=4 140 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,0,0,0,0|0,0,3]=4 141 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,0,0,0,0|0,0,2]=3 142 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,1,0,0,0,0|1,0,2]=4 143 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,1,0,0,0,0|1,0,1]=3 144 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,1,0,0,0,0|1,0,2]=4 145 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,1,0,0,0,0|1,0,2]=4 146 B9R0.2 CCCC#CC#CC(C)O CNP0243792.0 [0,1,0,0,0,0|0,0,3]=4 147 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,1,0,0,0,0|0,0,3]=4 148 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,1,0,0,0,0|1,0,2]=4 149 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,1,0,0,0,0|1,0,2]=4 150 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,1,0,0,0,0|0,0,3]=4 151 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,1,0,0,0,0|0,0,2]=3 153 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,1,0,0,0,0|1,0,2]=4 155 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,0,0,0,0|1,0,1]=3 156 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,1,0,0,0,0|1,0,2]=4 157 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,1,0,0,0,0|1,0,2]=4 158 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,1,0,0,0,0|1,0,2]=4 159 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,1,0,0,0,0|1,0,2]=4 160 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,1,0,0,0,0|1,0,2]=4 162 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,1,0,0,0,0|1,0,0]=2 163 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,1,0,0,0,0|0,0,0]=1 164 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,1,0,0,0,0|0,0,0]=1 165 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,1,0,0,0,0|2,0,0]=3 166 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,1,0,0,0,0|0,0,2]=3 168 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,0,0,0,0|1,0,1]=3 169 B9R0.2 CCCSSSCC(C)C CNP0003372.0 [0,1,0,0,0,0|3,0,0]=4 170 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.2 C[S@+]([O-])CCCCCC#N CNP0534941.2 [0,1,0,0,0,0|1,0,2]=4 173 B9R0.2 C[S@@+]([O-])CCCCCC#N CNP0534941.1 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,1,0,0,0,0|1,0,1]=3 175 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,0,0,0,0|0,0,3]=4 176 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,1,0,0,0,0|1,0,0]=2 179 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,0,0,0,0|1,0,2]=4 180 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,1,0,0,0,0|1,0,1]=3 181 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,1,0,0,0,0|1,0,0]=2 182 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [0,1,0,0,0,0|0,0,2]=3 187 B9R0.38 C[N+](C)(C)CCCCCN CNP0218672.0 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,0,0,0,0|0,0,3]=4 189 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,1,0,0,0,0|0,0,1]=2 190 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,1,0,0,0,0|0,0,1]=2 192 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,1,0,0,0,0|1,0,1]=3 193 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [0,1,0,0,0,0|0,0,2]=3 194 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,0,0,0,0|0,0,3]=4 195 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,1,0,0,0,0|0,0,1]=2 196 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|0,0,2]=3 197 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,0,0,0,0|1,0,2]=4 198 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|0,0,2]=3 199 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,0,0,0,0|0,0,1]=2 200 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,1,0,0,0,0|0,0,0]=1 201 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,1,0,0,0,0|1,0,0]=2 202 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,1,0,0,0,0|1,0,0]=2 203 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,0,0,0,0|0,0,0]=1 204 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,1,0,0,0,0|0,0,0]=1 205 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,0,0,0,0|0,0,0]=1 206 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,0,0,0,0|0,0,0]=1 207 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|1,0,2]=4 208 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,1,0,0,0,0|1,0,0]=2 209 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,1,0,0,0,0|2,0,0]=3 210 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [0,1,0,0,0,0|3,0,0]=4 211 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|0,0,3]=4 212 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|0,0,3]=4 213 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|0,0,1]=2 215 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,1,0,0,0,0|0,0,0]=1 216 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,0,0,0,0|1,0,1]=3 217 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,0,0,0,0|1,0,1]=3 218 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|0,0,2]=3 219 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,0,0,0,0|1,0,1]=3 220 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,0,0,0,0|1,0,1]=3 221 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,0,0,0,0|1,0,1]=3 222 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,1,0,0,0,0|0,0,0]=1 224 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,1,0,0,0,0|0,0,0]=1 225 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|1,0,1]=3 227 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,1,0,0,0,0|2,0,1]=4 230 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,1,0,0,0,0|2,0,1]=4 233 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,1,0,0,0,0|2,0,1]=4 236 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,1,0,0,0,0|2,0,1]=4 237 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,1,0,0,0,0|2,0,1]=4 238 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,1,0,0,0,0|2,0,1]=4 239 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,1,0,0,0,0|2,0,1]=4 241 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,0,0,0,0|0,0,3]=4 242 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,1,0,0,0,0|0,0,2]=3 245 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,1,0,0,0,0|1,0,0]=2 246 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,1,0,0,0,0|1,0,1]=3 247 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,1,0,0,0,0|1,0,1]=3 248 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,1,0,0,0,0|1,0,1]=3 249 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,1,0,0,0,0|1,0,1]=3 250 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,1,0,0,0,0|1,0,2]=4 252 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,1,0,0,0,0|0,0,2]=3 253 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,1,0,0,0,0|1,0,2]=4 254 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,1,0,0,0,0|1,0,1]=3 255 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [0,1,0,0,0,0|1,0,0]=2 256 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,1,0,0,0,0|0,0,0]=1 257 B9R0.55 CC(C)CSSCC(C)C CNP0113206.0 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.55 CN(C)CCCCN(C)C CNP0182978.0 [0,1,0,0,0,0|3,0,0]=4 259 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,1,0,0,0,0|2,0,1]=4 261 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,1,0,0|1,0,0]=2 262 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,1,0,0|1,0,1]=3 263 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,1,0,0|1,0,0]=2 264 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,1,0,0|1,0,0]=2 265 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,1,0,0|1,0,0]=2 266 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,1,0,0|1,0,0]=2 267 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,0,0,1,0,0|1,0,2]=4 268 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,0,1,0,0|0,0,2]=3 269 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,0,1,0,0|1,0,2]=4 270 B9R1.6 CC(C)C1CC=CCC1 CNP0550039.0 [0,0,0,1,0,0|1,0,2]=4 271 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,0,0,1,0,0|1,0,0]=2 272 B9R1.6 CC(C)N1CCCCC1 CNP0270932.0 [0,0,0,1,0,0|2,0,0]=3 273 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [0,0,0,1,0,0|3,0,0]=4 274 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,0,0,1,0,0|1,0,2]=4 275 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,0,0,1,0,0|1,0,2]=4 276 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,0,1,0,0|1,0,1]=3 277 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,0,0,1,0,0|2,0,1]=4 278 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,0,1,0,0|2,0,1]=4 279 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,0,1,0,0|2,0,1]=4 280 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,0,1,0,0|2,0,1]=4 281 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,0,1,0,0|2,0,1]=4 282 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,0,1,0,0|2,0,1]=4 283 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,0|1,0,1]=3 284 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,1,0,0|1,0,0]=2 285 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,1,0,0|2,0,1]=4 286 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,0,1,0,0|2,0,1]=4 287 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,0,0,1,0,0|1,0,2]=4 288 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,0,1,0,0|1,0,2]=4 289 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,0,1,0,0|1,0,2]=4 290 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,0,0,1,0,0|1,0,2]=4 291 B9R1.13 CC(C)CC1NCCS1 CNP0121305.0 [0,0,0,1,0,0|3,0,0]=4 292 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,0,0,1,0,0|1,0,0]=2 293 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,0,0,1,0,0|1,0,1]=3 294 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,0,0,1,0,0|2,0,1]=4 295 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,0,0,1,0,0|2,0,1]=4 296 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,0,0,1,0,0|1,0,0]=2 297 B9R1.24 CC=C1CCCC1(C)C CNP0330469.0 [0,0,0,1,0,0|1,0,2]=4 298 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,0,0,1,0,0|1,0,0]=2 299 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [0,0,0,1,0,0|2,0,0]=3 300 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,0,0,1,0,0|1,0,0]=2 301 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,0,0,1,0,0|2,0,1]=4 302 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,0,0,1,0,0|2,0,1]=4 303 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,0,0,1,0,0|2,0,1]=4 304 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,0,0,1,0,0|2,0,1]=4 305 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,0,0,1,0,0|1,0,1]=3 306 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,0,0,1,0,0|1,0,1]=3 307 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,0,0,1,0,0|2,0,1]=4 308 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,0,0,1,0,0|2,0,1]=4 309 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,1,0,0|0,0,2]=3 310 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,1,0,0|1,0,1]=3 311 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|1,0,0]=2 312 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|0,0,2]=3 313 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,0,0,1,0,0|0,0,2]=3 314 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,0,1,0,0|1,0,1]=3 315 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,0,0,1,0,0|0,0,0]=1 316 B6R0.6 C#CCCCCO CNP0289179.0 [2,0,0,0,0,0|0,0,2]=4 317 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,2]=4 318 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|0,0,2]=4 319 B6R0.6 CC#CCCCO CNP0320046.0 [2,0,0,0,0,0|0,0,2]=4 320 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,2]=4 321 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|0,0,2]=4 322 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|0,0,2]=4 323 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,2]=4 324 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|0,0,2]=4 325 B6R0.6 CCCC#CCO CNP0314465.0 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|0,0,2]=4 327 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,2]=4 328 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 330 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 331 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,0]=2 332 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,0]=2 334 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,0]=3 335 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,1]=3 336 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,0]=3 339 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 340 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|2,0,0]=4 341 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,0]=3 343 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,0]=3 344 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|2,0,0]=4 345 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,0]=3 346 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,1,0]=4 347 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,0]=3 350 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,0]=3 351 B6R0.6 NCCCCCN CNP0184259.0 [2,0,0,0,0,0|2,0,0]=4 352 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,0]=3 353 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,0]=3 354 B6R0.6 OCCNCCO CNP0247543.0 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|2,0,0]=4 356 B6R0.6 OCCSCCO CNP0335773.0 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.4 C=CCCC(C)O CNP0519217.0 [2,0,0,0,0,0|0,0,2]=4 358 B6R0.4 CC(C)CCCO CNP0344466.0 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.4 CC=CCC(C)O CNP0217280.0 [2,0,0,0,0,0|0,0,2]=4 360 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 361 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,2]=4 363 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|1,0,1]=4 364 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,0]=3 365 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|1,0,1]=4 366 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,0]=2 367 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,0]=2 368 B6R0.4 CCCSC(C)C CNP0228244.0 [2,0,0,0,0,0|2,0,0]=4 369 B6R0.4 CCCSC(C)S CNP0609747.0 [2,0,0,0,0,0|1,1,0]=4 370 B6R0.4 CCNCC(C)C CNP0165310.0 [2,0,0,0,0,0|2,0,0]=4 371 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [2,0,0,0,0,0|1,0,0]=3 372 B6R0.4 CCSCC(C)C CNP0208462.0 [2,0,0,0,0,0|2,0,0]=4 373 B6R0.4 CNCCC(C)C CNP0254439.0 [2,0,0,0,0,0|2,0,0]=4 374 B6R0.4 COCCC(C)C CNP0316382.0 [2,0,0,0,0,0|2,0,0]=4 375 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [2,0,0,0,0,0|1,0,0]=3 376 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|0,0,2]=4 378 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|0,0,2]=4 379 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|0,0,2]=4 380 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|0,0,1]=3 382 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|0,0,0]=2 384 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|0,0,0]=2 385 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,1,0,0,0,0|0,0,0]=2 390 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,1,0,0,0,0|0,0,1]=3 392 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,1,0,0,0,0|0,0,1]=3 393 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,1,0,0,0,0|0,0,1]=3 394 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|0,0,1]=3 396 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,1,0,0,0,0|0,0,1]=3 397 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|0,0,1]=3 398 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|0,0,1]=3 399 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,1,0,0,0,0|0,0,1]=3 400 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|0,0,1]=3 401 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,1,0,0,0,0|0,0,1]=3 402 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|0,0,1]=3 403 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|0,0,1]=3 404 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|0,0,1]=3 405 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,1,0,0,0,0|0,0,1]=3 406 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,1,0,0,0,0|0,0,1]=3 407 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,1,0,0,0,0|0,0,1]=3 408 B8R0.4 CCCCCCCCC CNP0402619.0 [1,1,0,0,0,0|0,0,0]=2 409 B8R0.4 CCCCCCCCN CNP0065900.0 [1,1,0,0,0,0|0,0,0]=2 410 B8R0.4 CCCCCCCCO CNP0368614.0 [1,1,0,0,0,0|0,0,0]=2 411 B8R0.4 CCCCCCCNC CNP0216624.0 [1,1,0,0,0,0|0,0,0]=2 412 B8R0.4 CCCCCCCOO CNP0566054.0 [1,1,0,0,0,0|0,0,0]=2 413 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,1,0,0,0,0|0,0,1]=3 414 B8R0.4 CCCCCCN=C=S CNP0253332.0 [1,1,0,0,0,0|0,1,1]=4 415 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,1,0,0,0,0|0,0,2]=4 416 B8R0.4 CCCCCCOCC CNP0609034.0 [1,1,0,0,0,0|0,0,0]=2 417 B8R0.4 CCCCCCSSC CNP0510251.0 [1,1,0,0,0,0|1,0,0]=3 418 B8R0.4 CCCCNCCCC CNP0203128.0 [1,1,0,0,0,0|0,0,0]=2 419 B8R0.4 CCCCOCCCC CNP0077266.0 [1,1,0,0,0,0|0,0,0]=2 420 B8R0.4 CCCCOCCCO CNP0141373.0 [1,1,0,0,0,0|0,0,0]=2 421 B8R0.4 CCCCSCCCC CNP0370059.0 [1,1,0,0,0,0|0,0,0]=2 422 B8R0.4 CCCCSSCCC CNP0003137.0 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.4 CCCSSSCCC CNP0085911.0 [1,1,0,0,0,0|2,0,0]=4 424 B8R0.4 CCNCCCNCC CNP0239670.0 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.4 CCOCCOCCO CNP0079970.0 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.4 COCCOCCOC CNP0466646.0 [1,1,0,0,0,0|2,0,0]=4 427 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,1,0,0,0,0|1,0,1]=4 428 B8R0.4 CSCCCCCC#N CNP0267304.0 [1,1,0,0,0,0|1,0,1]=4 429 B8R0.4 NCCCNCCCN CNP0609056.0 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.4 NCCCOCCCN CNP0453820.0 [1,1,0,0,0,0|2,0,0]=4 431 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,1,0,0,0,0|0,0,2]=4 432 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,1,0,0,0,0|0,0,2]=4 433 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|0,0,2]=4 434 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,1,0,0,0,0|1,0,0]=3 435 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [1,1,0,0,0,0|1,0,1]=4 436 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|0,0,1]=3 437 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|0,0,1]=3 438 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.6 CCCCCC(S)SC CNP0002612.0 [1,1,0,0,0,0|1,0,0]=3 441 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|0,0,0]=2 442 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|0,0,0]=2 443 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|0,0,0]=2 444 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,1,0,0,0,0|0,0,0]=2 445 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|1,0,1]=4 446 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,1,0,0,0,0|2,0,0]=4 447 B8R0.6 CCCSSC(C)CC CNP0570615.0 [1,1,0,0,0,0|2,0,0]=4 448 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,1,0,0,0,0|0,0,0]=2 449 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,1,0,0,0,0|0,0,0]=2 450 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [1,1,0,0,0,0|0,0,2]=4 452 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [1,1,0,0,0,0|0,0,2]=4 453 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [1,1,0,0,0,0|0,0,2]=4 454 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [1,1,0,0,0,0|0,0,2]=4 455 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,2]=4 457 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,0]=3 458 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|0,0,0]=2 459 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|1,0,1]=4 460 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|1,0,1]=4 461 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|1,0,1]=4 462 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,1,0,0,0,0|1,0,1]=4 463 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,1,0,0,0,0|1,0,1]=4 464 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,1]=4 465 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|0,0,1]=3 466 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|0,0,1]=3 467 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,1,0,0,0,0|0,0,0]=2 468 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [1,1,0,0,0,0|1,0,0]=3 469 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|1,0,1]=4 470 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,1,0,0,0,0|1,0,1]=4 475 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [1,1,0,0,0,0|1,0,0]=3 476 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [1,1,0,0,0,0|1,0,0]=3 477 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [1,1,0,0,0,0|1,0,1]=4 478 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [1,1,0,0,0,0|1,0,0]=3 479 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,1]=4 480 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|0,0,1]=3 481 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [1,1,0,0,0,0|0,0,2]=4 482 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [1,1,0,0,0,0|1,0,0]=3 483 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [1,1,0,0,0,0|0,0,0]=2 484 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [1,1,0,0,0,0|1,0,0]=3 485 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [1,1,0,0,0,0|1,0,1]=4 486 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,1,0,0,0,0|1,0,1]=4 487 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,1,0,0,0,0|0,1,0]=3 488 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|0,0,1]=3 489 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,1,0,0,0,0|0,0,2]=4 490 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,1,0,0,0,0|0,0,2]=4 491 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,2]=4 492 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|1,0,1]=4 493 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,1,0,0,0,0|1,0,0]=3 494 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,1,0,0,0,0|1,0,0]=3 495 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,1,0,0,0,0|1,0,0]=3 496 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,1,0,0,0,0|0,0,0]=2 497 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [1,1,0,0,0,0|2,0,0]=4 498 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [1,1,0,0,0,0|2,0,0]=4 499 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [1,1,0,0,0,0|1,0,0]=3 500 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|1,0,1]=4 501 B10R0.3 C=C(C)CCC[C@@H](C)CCBr CNP0070713.1 [0,2,0,0,0,0|1,0,1]=4 502 B10R0.3 C=C(C)CCC[C@@H](C)CCO CNP0312650.2 [0,2,0,0,0,0|1,0,1]=4 503 B10R0.3 C=C(C)CCC[C@H](C)CCBr CNP0070713.2 [0,2,0,0,0,0|1,0,1]=4 504 B10R0.3 C=C(C)CCC[C@H](C)CCO CNP0312650.1 [0,2,0,0,0,0|1,0,1]=4 505 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,2,0,0,0,0|1,0,1]=4 506 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,2,0,0,0,0|1,0,0]=3 507 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,2,0,0,0,0|1,0,0]=3 508 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,2,0,0,0,0|1,0,1]=4 509 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|1,0,1]=4 510 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,2,0,0,0,0|1,0,0]=3 511 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,2,0,0,0,0|0,0,2]=4 512 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,2,0,0,0,0|1,0,1]=4 513 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|1,0,1]=4 514 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,1]=3 515 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [0,2,0,0,0,0|0,0,0]=2 516 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,2,0,0,0,0|1,0,1]=4 517 B10R0.44 CC[C@H](C)C[C@H](C)CC(C)C CNP0312404.1 [0,2,0,0,0,0|1,0,0]=3 518 B10R0.57 CCC(O)C(O)CCC(=O)O CNP0552355.0 [0,2,0,0,0,0|1,0,1]=4 519 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [0,2,0,0,0,0|0,0,2]=4 520 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [0,2,0,0,0,0|0,0,2]=4 521 B10R0.59 CCC(C)CCCC(C)C=O CNP0002769.0 [0,2,0,0,0,0|0,0,1]=3 522 B10R0.59 CCC(C)CCCC(C)CC CNP0203381.0 [0,2,0,0,0,0|1,0,0]=3 523 B10R0.59 OCC(O)COCC(O)CO CNP0076770.0 [0,2,0,0,0,0|2,0,0]=4 524 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [0,2,0,0,0,0|0,0,1]=3 525 B10R0.60 C=C[C@@H](C)CCCC(C)(C)O CNP0080125.1 [0,2,0,0,0,0|0,0,2]=4 526 B10R0.60 CC[C@@H](C)CCCC(C)(C)O CNP0309956.2 [0,2,0,0,0,0|0,0,0]=2 527 B10R0.60 CC[C@H](C)CCCC(C)(C)O CNP0309956.1 [0,2,0,0,0,0|0,0,0]=2 528 B10R0.65 C=C(C)CCCC(C)(O)CC CNP0076879.0 [0,2,0,0,0,0|1,0,1]=4 529 B10R0.65 CCC(C)(C)CCCC(C)C CNP0527560.0 [0,2,0,0,0,0|1,0,0]=3 530 B10R0.65 CCC(C)(O)CCCC(C)C CNP0083056.0 [0,2,0,0,0,0|1,0,0]=3 531 B10R0.98 CC(=CCC[C@@H](C)[C@@H](C)O)C CNP0325931.3 [0,2,0,0,0,0|0,0,2]=4 532 B10R0.98 CC(=CCC[C@@H](C)[C@H](C)O)C CNP0325931.2 [0,2,0,0,0,0|0,0,2]=4 533 B10R0.98 CC(=CCC[C@H](C)[C@@H](C)O)C CNP0325931.1 [0,2,0,0,0,0|0,0,2]=4 534 B10R0.98 CC(=CCC[C@H](C)[C@H](C)O)C CNP0325931.4 [0,2,0,0,0,0|0,0,2]=4 535 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,2,0,0,0,0|1,0,1]=4 536 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,2,0,0,0,0|1,0,1]=4 537 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,2,0,0,0,0|1,0,1]=4 538 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,2,0,0,0,0|1,0,1]=4 539 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,2,0,0,0,0|0,0,2]=4 540 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,2,0,0,0,0|1,0,1]=4 541 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,2,0,0,0,0|0,0,2]=4 542 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,2,0,0,0,0|1,0,0]=3 543 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,2,0,0,0,0|1,0,1]=4 544 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,2,0,0,0,0|0,0,2]=4 545 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,2,0,0,0,0|1,0,1]=4 546 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,2,0,0,0,0|1,0,1]=4 547 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [0,2,0,0,0,0|0,0,0]=2 548 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,2,0,0,0,0|0,0,2]=4 549 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,2,0,0,0,0|1,0,1]=4 550 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,2,0,0,0,0|0,0,0]=2 551 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [0,2,0,0,0,0|2,0,0]=4 552 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,2,0,0,0,0|0,0,2]=4 553 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,2,0,0,0,0|1,0,1]=4 554 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [0,2,0,0,0,0|1,0,0]=3 555 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,2,0,0,0,0|0,0,0]=2 556 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,2,0,0,0,0|0,0,0]=2 557 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [0,2,0,0,0,0|1,0,1]=4 558 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [0,2,0,0,0,0|1,0,1]=4 559 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,2,0,0,0,0|0,0,2]=4 560 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,2,0,0,0,0|0,0,2]=4 561 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,2,0,0,0,0|0,0,0]=2 562 B10R0.4 CCCCSSCCC(C)C CNP0600028.0 [0,2,0,0,0,0|1,0,0]=3 563 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [0,2,0,0,0,0|1,0,1]=4 564 B10R0.4 C[S@+]([O-])CCCCCCC#N CNP0522618.1 [0,2,0,0,0,0|1,0,1]=4 565 B10R0.4 C[S@H+]([O-])CCCCCCC#N CNP0582396.1 [0,2,0,0,0,0|1,0,1]=4 566 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,2,0,0,0,0|1,0,1]=4 567 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,2,0,0,0,0|1,0,1]=4 568 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,2,0,0,0,0|1,0,1]=4 569 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,2,0,0,0,0|1,0,1]=4 570 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,2,0,0,0,0|1,0,1]=4 571 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|1,0,1]=4 572 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|1,0,1]=4 573 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,2,0,0,0,0|1,0,1]=4 574 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,2,0,0,0,0|1,0,1]=4 575 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,2,0,0,0,0|0,0,2]=4 576 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,2,0,0,0,0|1,0,1]=4 577 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|1,0,1]=4 578 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|0,0,1]=3 579 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|0,0,1]=3 580 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,2,0,0,0,0|1,0,1]=4 581 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,2,0,0,0,0|1,0,1]=4 582 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,2,0,0,0,0|2,0,0]=4 583 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,2,0,0,0,0|2,0,0]=4 584 B10R0.55 CC(C)CCCCC(C)CO CNP0444832.0 [0,2,0,0,0,0|0,0,0]=2 585 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,2,0,0,0,0|0,0,0]=2 586 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,2,0,0,0,0|1,0,1]=4 587 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,2,0,0,0,0|0,0,2]=4 588 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,2,0,0,0,0|0,0,1]=3 589 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,2,0,0,0,0|1,0,1]=4 590 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,2,0,0,0,0|0,0,1]=3 591 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|0,0,2]=4 592 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|0,0,2]=4 593 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,2,0,0,0,0|1,0,1]=4 594 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,2,0,0,0,0|0,0,2]=4 595 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,2,0,0,0,0|0,0,0]=2 596 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,2,0,0,0,0|1,0,0]=3 597 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,2,0,0,0,0|1,0,0]=3 598 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,2,0,0,0,0|0,0,0]=2 599 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,2,0,0,0,0|1,0,0]=3 600 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,2,0,0,0,0|0,0,0]=2 601 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|0,0,2]=4 602 B10R0.74 NCCCCNCC(O)CN CNP0547539.0 [0,2,0,0,0,0|1,0,0]=3 603 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|1,0,1]=4 604 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,2,0,0,0,0|0,0,0]=2 605 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,2,0,0,0,0|1,0,0]=3 606 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,2,0,0,0,0|0,0,1]=3 607 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,2,0,0,0,0|1,0,0]=3 608 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,2,0,0,0,0|0,0,1]=3 609 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|1,0,1]=4 610 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,2,0,0,0,0|1,0,1]=4 611 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,2,0,0,0,0|1,0,1]=4 612 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,2,0,0,0,0|1,0,1]=4 613 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,2,0,0,0,0|1,0,1]=4 614 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|1,0,1]=4 615 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [0,2,0,0,0,0|1,0,0]=3 616 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,2,0,0,0,0|1,0,1]=4 617 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [0,2,0,0,0,0|1,0,0]=3 618 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,2,0,0,0,0|1,0,0]=3 619 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,2,0,0,0,0|1,0,1]=4 620 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,2,0,0,0,0|0,0,0]=2 621 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,2,0,0,0,0|0,0,1]=3 622 B10R0.97 CC(O)CCOCCC(C)O CNP0211333.0 [0,2,0,0,0,0|0,0,0]=2 623 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,2,0,0,0,0|1,0,1]=4 624 B10R0.81 CCCCC(Br)C(O)C(Br)Br CNP0017707.0 [0,2,0,0,0,0|2,0,0]=4 625 B10R0.87 CCCCC(CC)CN(C)C CNP0554123.0 [0,2,0,0,0,0|2,0,0]=4 626 B10R0.62 [2H]C([2H])(CC)CCCOCC CNP0539193.0 [0,2,0,0,0,0|2,0,0]=4 627 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|0,0,2]=4 628 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,2]=4 629 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [0,2,0,0,0,0|0,0,1]=3 630 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,2,0,0,0,0|0,0,0]=2 631 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,2,0,0,0,0|0,0,0]=2 632 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,2,0,0,0,0|1,0,0]=3 633 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,2,0,0,0,0|0,0,0]=2 634 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,2,0,0,0,0|1,0,0]=3 635 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [0,2,0,0,0,0|0,0,1]=3 636 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [0,2,0,0,0,0|0,0,0]=2 637 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|0,0,2]=4 638 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,2,0,0,0,0|1,0,1]=4 639 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,2,0,0,0,0|1,0,1]=4 640 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,2,0,0,0,0|1,0,1]=4 641 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,2,0,0,0,0|0,0,2]=4 642 B10R0.27 CCCC(CC)CCC(C)C CNP0482853.0 [0,2,0,0,0,0|1,0,0]=3 643 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|0,0,2]=4 644 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|0,0,0]=2 645 B8R1.2 CCN1CCOCC1 CNP0382188.0 [1,0,0,1,0,0|2,0,0]=4 646 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|0,0,0]=2 647 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|0,0,2]=4 648 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|0,0,0]=2 649 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|1,0,0]=3 650 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|1,0,0]=3 651 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,0,0,1,0,0|2,0,0]=4 652 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|0,0,2]=4 653 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|0,0,2]=4 654 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|0,0,2]=4 655 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,1,0,0|1,0,0]=3 656 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,1,0,0|0,0,2]=4 657 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,0]=3 658 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,1,0,0|0,0,2]=4 659 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|1,0,0]=3 660 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,0]=3 661 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,0,0,1,0,0|1,0,1]=4 662 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,1,0,0|1,0,1]=4 663 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|0,0,2]=4 664 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,1,0,0|0,0,2]=4 665 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|0,0,2]=4 666 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,1,0,0|0,0,0]=2 667 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|0,0,0]=2 668 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|0,0,0]=2 669 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|1,0,0]=3 670 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|1,0,0]=3 671 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|1,0,0]=3 672 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|1,0,0]=3 673 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,0,0,1,0,0|1,0,0]=3 675 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,0,0,1,0,0|1,0,0]=3 676 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,0,0,1,0,0|1,0,0]=3 677 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,0,0,1,0,0|1,0,0]=3 678 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|0,0,2]=4 679 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|0,0,0]=2 680 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|1,1,0]=4 681 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,1,0,0|1,1,0]=4 682 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,1,0,0|2,0,0]=4 683 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,1,0,0|2,0,0]=4 684 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|0,0,0]=2 685 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|0,0,2]=4 686 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|0,0,2]=4 687 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|0,0,0]=2 688 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [1,0,0,1,0,0|2,0,0]=4 689 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|0,0,0]=2 690 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|0,0,2]=4 691 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|1,0,1]=4 692 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 693 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [1,0,0,1,0,0|2,0,0]=4 694 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|0,0,0]=2 695 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,0]=3 696 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|0,0,2]=4 697 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [1,0,0,1,0,0|1,0,0]=3 698 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|0,0,0]=2 699 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [1,0,0,1,0,0|1,1,0]=4 700 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|1,0,1]=4 701 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,0]=3 702 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,0]=3 703 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|1,0,1]=4 704 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [1,0,0,1,0,0|1,0,0]=3 705 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 706 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|0,0,2]=4 707 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|0,0,2]=4 708 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|0,0,2]=4 709 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [1,0,0,1,0,0|2,0,0]=4 710 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 711 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|1,0,1]=4 712 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,0]=3 713 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|0,0,0]=2 714 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,0,0,1,0,0|1,0,0]=3 715 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,0]=3 716 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|0,0,0]=2 717 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,0,0,1,0,0|1,0,0]=3 718 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 719 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|1,0,1]=4 720 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|0,0,0]=2 721 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|0,0,0]=2 722 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [1,0,0,1,0,0|1,0,0]=3 723 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,0,0,1,0,0|1,0,0]=3 724 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,1,0,0|0,0,0]=2 725 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|1,0,1]=4 726 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [1,0,0,1,0,0|2,0,0]=4 727 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [1,0,0,1,0,0|2,0,0]=4 728 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [1,0,0,1,0,0|1,0,0]=3 729 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,0,0,1,0,0|1,0,0]=3 730 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,0,0,1,0,0|0,0,0]=2 731 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|0,0,2]=4 732 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|0,0,2]=4 733 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [1,0,0,1,0,0|1,0,1]=4 734 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,1,0,1,0,0|1,0,1]=4 735 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,1,0,1,0,0|1,0,1]=4 736 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,1,0,1,0,0|1,0,1]=4 737 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,1,0,0|1,0,1]=4 738 B10R1.13 CC(C)C1CCC(CC1)O CNP0080136.0 [0,1,0,1,0,0|1,0,0]=3 739 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,1,0,1,0,0|1,0,0]=3 740 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,1,0,1,0,0|1,0,0]=3 741 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,1,0,0|0,0,1]=3 742 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,1,0,1,0,0|0,0,0]=2 743 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,1,0,0|0,0,1]=3 744 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,1,0,1,0,0|1,0,1]=4 745 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,1,0,1,0,0|1,0,1]=4 746 B10R1.54 C=C(C)CC1CCC(C1)C CNP0211538.0 [0,1,0,1,0,0|1,0,1]=4 747 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,1,0,1,0,0|1,0,1]=4 748 B10R1.194 CC(C)C1CCC(C1C)C CNP0058369.0 [0,1,0,1,0,0|1,0,0]=3 749 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]=4 750 B10R1.485 CC[C@@]1(CCC[C@@H](C1)C)O CNP0046159.2 [0,1,0,1,0,0|1,0,0]=3 751 B10R1.485 CC[C@@]1(CCC[C@H](C1)C)O CNP0046159.3 [0,1,0,1,0,0|1,0,0]=3 752 B10R1.485 CC[C@]1(CCC[C@@H](C1)C)O CNP0046159.4 [0,1,0,1,0,0|1,0,0]=3 753 B10R1.485 CC[C@]1(CCC[C@H](C1)C)O CNP0046159.1 [0,1,0,1,0,0|1,0,0]=3 754 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,1,0,1,0,0|1,0,1]=4 755 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,1,0,1,0,0|1,0,1]=4 756 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|1,0,1]=4 757 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,1,0,1,0,0|1,0,0]=3 758 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,1,0,1,0,0|1,0,0]=3 759 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,1,0,1,0,0|0,1,0]=3 760 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,1,0,1,0,0|1,0,0]=3 761 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,1,0,1,0,0|1,0,0]=3 762 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,1,0,1,0,0|0,1,0]=3 763 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,1,0,1,0,0|2,0,0]=4 764 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|0,0,2]=4 765 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|1,0,1]=4 766 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|1,0,1]=4 767 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,1,0,1,0,0|1,0,1]=4 768 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,1,0,1,0,0|0,0,2]=4 769 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,1,0,1,0,0|0,0,2]=4 770 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,1,0,1,0,0|0,0,2]=4 771 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,1,0,1,0,0|1,0,1]=4 772 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [0,1,0,1,0,0|1,0,1]=4 773 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,1,0,1,0,0|1,0,0]=3 774 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,1,0,1,0,0|0,0,0]=2 775 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,1,0,1,0,0|0,0,0]=2 776 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,1,0,1,0,0|0,0,0]=2 777 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,1,0,1,0,0|1,0,1]=4 778 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,1,0,1,0,0|1,0,1]=4 779 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,1,0,1,0,0|1,0,1]=4 780 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [0,1,0,1,0,0|1,0,1]=4 781 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,1,0,1,0,0|1,0,1]=4 782 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|1,0,1]=4 783 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [0,1,0,1,0,0|1,0,0]=3 784 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [0,1,0,1,0,0|1,0,0]=3 785 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [0,1,0,1,0,0|1,0,0]=3 786 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [0,1,0,1,0,0|1,0,0]=3 787 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,1,0,1,0,0|1,0,1]=4 788 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,1,0,1,0,0|0,0,2]=4 789 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,1,0,1,0,0|0,0,2]=4 790 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,1,0,1,0,0|1,0,1]=4 791 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [0,1,0,1,0,0|0,0,0]=2 792 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [0,1,0,1,0,0|0,0,0]=2 793 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [0,1,0,1,0,0|0,0,0]=2 794 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [0,1,0,1,0,0|0,0,0]=2 795 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|1,0,1]=4 796 B10R1.66 CC(C)CSC1CCCC1 CNP0109585.0 [0,1,0,1,0,0|1,0,0]=3 797 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,1,0,1,0,0|1,0,1]=4 798 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|0,0,2]=4 799 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|0,0,2]=4 800 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|0,0,2]=4 801 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|0,0,1]=3 802 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,1,0,1,0,0|1,0,1]=4 803 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,1,0,1,0,0|1,0,1]=4 804 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,1,0,1,0,0|1,0,1]=4 805 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]=3 806 B10R1.192 C[C@@H]1COC(=O)[C@H]1[C@@H](C)O CNP0272849.1 [0,1,0,1,0,0|1,0,1]=4 807 B10R1.192 C[C@H](O)C1C(=O)OC[C@@H]1C CNP0272849.2 [0,1,0,1,0,0|1,0,1]=4 808 B10R1.192 C[C@H](O)[C@@H]1C(=O)OC[C@H]1C CNP0272849.3 [0,1,0,1,0,0|1,0,1]=4 809 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [0,1,0,1,0,0|0,0,0]=2 810 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [0,1,0,1,0,0|0,0,0]=2 811 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [0,1,0,1,0,0|0,0,0]=2 812 B10R1.2 OC[C@@H]1NCC[C@H]([C@H]1O)O CNP0235839.2 [0,1,0,1,0,0|2,0,0]=4 813 B10R1.2 OC[C@H]1CNC[C@H]([C@@H]1O)O CNP0583916.1 [0,1,0,1,0,0|2,0,0]=4 814 B10R1.2 OC[C@H]1NCC[C@@H]([C@@H]1O)O CNP0235839.3 [0,1,0,1,0,0|2,0,0]=4 815 B10R1.2 OC[C@H]1NCC[C@@H]([C@H]1O)O CNP0235839.4 [0,1,0,1,0,0|2,0,0]=4 816 B10R1.2 OC[C@H]1NCC[C@H]([C@@H]1O)O CNP0235839.1 [0,1,0,1,0,0|2,0,0]=4 817 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|1,0,1]=4 818 B10R1.15 CC(=NO)C1CCCCC1 CNP0071065.0 [0,1,0,1,0,0|0,0,1]=3 819 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [0,1,0,1,0,0|1,0,0]=3 820 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,1,0,0|0,0,2]=4 821 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|0,0,2]=4 822 B10R1.27 CC[C@@H](C)SC1CCCC1 CNP0227462.1 [0,1,0,1,0,0|2,0,0]=4 823 B10R1.27 CNC(C)CC1CCCC1 CNP0286967.0 [0,1,0,1,0,0|1,0,0]=3 824 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [0,1,0,1,0,0|0,0,0]=2 825 B10R1.172 OCC1COCC(O1)CO CNP0564335.0 [0,1,0,1,0,0|2,0,0]=4 826 B10R1.230 C#C[C@@]1(CCCC[C@@H]1O)O CNP0175210.1 [0,1,0,1,0,0|1,0,1]=4 827 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,1,0,1,0,0|1,0,1]=4 828 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,1,0,1,0,0|1,0,0]=3 829 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,1,0,1,0,0|1,0,1]=4 830 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,1,0,1,0,0|1,0,1]=4 831 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,1,0,1,0,0|1,0,1]=4 832 B10R1.131 C/C=C/C1C[C@@H]([C@H](C1)O)O CNP0195805.1 [0,1,0,1,0,0|0,0,2]=4 833 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]=4 834 B10R1.176 NC[C@@H]1CC[C@@H]([C@H](O1)O)N CNP0106376.1 [0,1,0,1,0,0|2,0,0]=4 835 B10R1.176 OC[C@@H]1C[C@@H]([C@@H](CN1)O)O CNP0346870.1 [0,1,0,1,0,0|2,0,0]=4 836 B10R1.176 OC[C@@H]1C[C@H]([C@@H](CN1)O)O CNP0346870.3 [0,1,0,1,0,0|2,0,0]=4 837 B10R1.176 OC[C@@H]1C[C@H]([C@H](CN1)O)O CNP0346870.2 [0,1,0,1,0,0|2,0,0]=4 838 B10R1.363 CC1(CCCCC1)C(=O)O CNP0464995.0 [0,1,0,1,0,0|1,0,1]=4 839 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [0,1,0,1,0,0|1,0,1]=4 840 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [0,1,0,1,0,0|1,0,0]=3 841 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,0,0,2,0,0|1,0,0]=3 842 B10R2.62 O[C@@H]1C[C@H]2C=C[C@@H]1CC2 CNP0395567.1 [0,0,0,2,0,0|0,0,2]=4 843 B10R2.71 OC1C[C@H]2CC[C@@H](C1)N2 CNP0341524.3 [0,0,0,2,0,0|1,0,0]=3 844 B10R2.71 O[C@@H]1C[C@H]2CC[C@@H](C1)N2 CNP0341524.2 [0,0,0,2,0,0|1,0,0]=3 845 B10R2.71 O[C@H]1C[C@H]2CC[C@@H](C1)N2 CNP0341524.1 [0,0,0,2,0,0|1,0,0]=3 846 B10R2.109 C=CC1CCC2OC2C1 CNP0491620.0 [0,0,0,2,0,0|0,0,2]=4 847 B10R2.408 C1C[C@H]2CCC[C@@H](C1)S2 CNP0191690.1 [0,0,0,2,0,0|0,1,0]=3 848 B10R2.32 C[C@@H]1CS[C@H]2[C@H]1CCC2 CNP0357997.1 [0,0,0,2,0,0|2,0,0]=4 849 B10R2.32 C[C@H]1CCN2[C@H]1CCC2 CNP0001290.1 [0,0,0,2,0,0|2,0,0]=4 850 B10R2.28 CC1(CC2CCC1C2)O CNP0489995.0 [0,0,0,2,0,0|0,0,0]=2 851 B10R2.201 [O-][N+]12CCCC1CCC2 CNP0572592.0 [0,0,0,2,0,0|1,0,1]=4 852 B10R2.82 CCCCC1CC12CC2 CNP0076165.0 [0,0,0,2,0,0|1,0,0]=3