0 B8R0.4 C#CCCCCCCO HY-W008554 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 C=CCCCCCCO HY-W127366 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.4 CCCCCCCC=O HY-N8015 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.4 CCCCCCCCBr HY-W032015 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.4 CCCCCCCCN HY-W032014 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.4 CCCCCCCCO HY-W032013 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.4 CCCCSCCCC HY-W250123 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,0,0,0,0,0|0,0,4]=4 8 B8R0.4 COCCOCCC=O HY-W1049075C [0,0,0,0,0,0|2,0,0]=2 9 B8R0.4 NCCCCCCCN HY-W008821 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.4 OCCCCCCCBr HY-W008425 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.1 C#CCCCCCBr HY-W459522 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.1 CCCCCCCO HY-W099504 [1,0,0,0,0,0|0,0,1]=2 13 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.1 CCCSSCCC HY-W196803 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 COCCOCCN HY-140675 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.1 COCCOCCN HY-140676 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.1 COCCOCCN HY-140677 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.1 COCCOCCN HY-140678 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.1 COCCOCCN HY-140679 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.1 COCCOCCN HY-155881 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.1 COCCOCCN HY-155882 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.1 COCCOCCN HY-W008429 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.1 COCCOCCN HY-W598230A [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 COCCOCCO HY-140696 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.1 COCCOCCO HY-140696B [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 COCCOCCO HY-140696D [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 COCCOCCO HY-140696E [1,0,0,0,0,0|2,0,1]=4 28 B7R0.1 COCCOCCO HY-W012862 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 COCCOCCS HY-140706 [1,0,0,0,0,0|2,1,0]=4 30 B7R0.1 COCCOCCS HY-140708 [1,0,0,0,0,0|2,1,0]=4 31 B7R0.1 COCCOCCS HY-W591476 [1,0,0,0,0,0|2,1,0]=4 32 B7R0.1 COCCOCCS HY-W591476B [1,0,0,0,0,0|2,1,0]=4 33 B7R0.1 COCCOCCS HY-W591476C [1,0,0,0,0,0|2,1,0]=4 34 B7R0.1 ClCCCCCCBr HY-W009787 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.1 NCCCCCCO HY-W007957 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.1 NCCCNCCS HY-103640 [1,0,0,0,0,0|2,1,0]=4 37 B7R0.1 NCCCNCCS HY-137864 [1,0,0,0,0,0|2,1,0]=4 38 B7R0.1 OCCCCCCBr HY-W016455 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.1 OCCCCCCCl HY-41681 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.1 OCCCCCCO HY-W010505 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,1,0,0,0,0|0,0,2]=3 42 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,1,0,0,0,0|2,0,0]=3 43 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,1,0,0,0,0|0,0,0]=1 45 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,1,0,0,0,0|0,0,2]=3 46 B9R0.2 COCCOCCC(=O)O HY-130231 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.2 COCCOCCC(=O)O HY-133324 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.2 NCCSSCCC(=O)O HY-140096 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.45 C(CC)=CCCCCCO HY-W017558 [0,1,0,0,0,0|0,0,3]=4 52 B9R0.45 C=CCCCCCCCO HY-W127362 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.45 C=CCOCCOCCO HY-W047691 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.45 CCCCCCCCC=O HY-N8016 [0,1,0,0,0,0|0,0,0]=1 55 B9R0.45 CCCCCCCCCO HY-W008816 [0,1,0,0,0,0|0,0,2]=3 56 B9R0.45 CCCCCC\C=C\C=O HY-W089800 [0,1,0,0,0,0|0,0,1]=2 57 B9R0.45 CCCCCC\C=C\C=O HY-W089800R [0,1,0,0,0,0|0,0,1]=2 58 B9R0.45 CCCCC\C=C/CCO HY-W127320 [0,1,0,0,0,0|0,0,3]=4 59 B9R0.45 CCCC\C=C\C=C\C=O HY-W127521 [0,1,0,0,0,0|0,0,3]=4 60 B9R0.45 CC\C=C/CC\C=C\C=O HY-W127515 [0,1,0,0,0,0|0,0,3]=4 61 B9R0.45 NCCCCNCCCN HY-B1776 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.45 NCCCCNCCCN HY-B1776A [0,1,0,0,0,0|2,0,1]=4 63 B9R0.45 NCCCCNCCCN HY-B1776R [0,1,0,0,0,0|2,0,1]=4 64 B9R0.45 OCCCCCCCCO HY-W017508 [0,1,0,0,0,0|0,0,2]=3 65 B9R0.45 [N-]=[N+]=NCCCCCCO HY-138521 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,1,0,0,0,0|2,0,1]=4 68 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,0,0,1,0,0|1,0,2]=4 70 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,1]=3 72 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.6 NCCCCCN HY-W016750 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|1,0,1]=4 75 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,1,0,0,0,0|0,0,1]=3 76 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|0,0,1]=3 77 B8R0.7 CC(=O)NCCCCN HY-113100 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|0,0,0]=2 80 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,1,0,0,0,0|2,0,0]=4 81 B8R0.7 NCCOCCC(=O)O HY-140002 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.7 O=C(O)CCOCCO HY-116655 [1,1,0,0,0,0|2,0,0]=4 83 B10R0.3 CC(C)=CCCC(C)CC=O HY-N7126 [0,2,0,0,0,0|0,0,2]=4 84 B10R0.3 CC(C)=CCC[C@@H](C)CC=O HY-111664 [0,2,0,0,0,0|0,0,2]=4 85 B10R0.3 CC(C)=CCC[C@H](C)CC=O HY-111664A [0,2,0,0,0,0|0,0,2]=4 86 B10R0.3 CC(C)CCCC(C)CCO HY-W010176 [0,2,0,0,0,0|0,0,2]=4 87 B10R0.4 CCCCCCCCC(=O)O HY-N7057 [0,2,0,0,0,0|0,0,0]=2 88 B10R0.4 CCCCCCCOC(C)=O HY-W099503 [0,2,0,0,0,0|0,0,0]=2 89 B10R0.4 NCCCCCCCC(=O)O HY-W018678 [0,2,0,0,0,0|0,0,0]=2 90 B10R0.4 NCCOCCOCC(=O)O HY-168940B [0,2,0,0,0,0|2,0,0]=4 91 B10R0.4 NCCOCCOCC(=O)O HY-W006524 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.4 O=C(O)COCCOCCCl HY-43055 [0,2,0,0,0,0|2,0,0]=4 93 B10R0.6 CCCCCC(O)CC(=O)O HY-113058 [0,2,0,0,0,0|0,0,0]=2 94 B10R0.22 CCCCCCOS(C)(=O)=O HY-43948 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.22 [2H]C([2H])(O)CCCCCCC HY-W032013S1 [0,2,0,0,0,0|0,0,2]=4 96 B10R0.74 C=CC(=O)OCCCCCC HY-W110166 [0,2,0,0,0,0|1,0,0]=3 97 B10R0.74 CCCCCC#CC(=O)OC HY-W013576 [0,2,0,0,0,0|0,0,2]=4 98 B10R0.74 CCCCCCCC(=O)NO HY-W001857 [0,2,0,0,0,0|0,0,0]=2 99 B10R0.74 CCCCCCCC(=O)OC HY-W087943 [0,2,0,0,0,0|0,0,0]=2 100 B10R0.74 CCCCCCCC(=O)O[Na] HY-W015339 [0,2,0,0,0,0|0,0,0]=2 101 B10R0.74 CCCCC\C=C\C(=O)OC HY-W039379 [0,2,0,0,0,0|0,0,2]=4 102 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,2,0,0,0,0|0,0,0]=2 103 B10R0.75 CCCCCCC(O)C(=O)O HY-W015444 [0,2,0,0,0,0|0,0,0]=2 104 B10R0.75 N[C@@H](CSCCCO)C(=O)O HY-B0393 [0,2,0,0,0,0|2,0,0]=4 105 B10R0.78 CCCCC(C)CCC(=O)O HY-W010178 [0,2,0,0,0,0|0,0,0]=2 106 B10R0.97 O=C(O)CCCCCC(=O)O HY-Y1139 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.1 CCCCCCC(O)CCC HY-W275553 [0,2,0,0,0,0|1,0,1]=4 108 B10R0.71 C(C=O)=CCCCCCCC HY-W015551 [0,2,0,0,0,0|0,0,0]=2 109 B10R0.71 C=CCCCCCCCCO HY-W105359 [0,2,0,0,0,0|1,0,0]=3 110 B10R0.71 CCCCCCCCCC=O HY-W012570 [0,2,0,0,0,0|0,0,0]=2 111 B10R0.71 CCCCCCCCCCC HY-N8593 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.71 CCCCCCCCCCO HY-Y1004 [0,2,0,0,0,0|0,0,2]=4 113 B10R0.71 CCCCC\C=C\C=C\C=O HY-W013627 [0,2,0,0,0,0|0,0,2]=4 114 B10R0.71 CCCCC\C=C\C=C\C=O HY-W760733 [0,2,0,0,0,0|0,0,2]=4 115 B10R0.71 CSCCCCCCN=C=S HY-W714137 [0,2,0,0,0,0|0,1,1]=4 116 B10R0.71 OCCCCCCCCCBr HY-32083 [0,2,0,0,0,0|0,0,2]=4 117 B8R1.2 OCC1CCCCO1 HY-115051 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.2 OCC1CCOCC1 HY-79631 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|0,0,0]=2 120 B8R1.5 NC1CCCNC1=O HY-21088 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,0,0,1,0,0|2,0,0]=4 123 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.8 OCCN1CCCC1 HY-W010519 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.11 CCN1CCCC1=O HY-B1620 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.11 CCN1CCCC1=O HY-B1620B [1,0,0,1,0,0|1,0,0]=3 128 B8R1.11 CCN1CCCC1=O HY-B1620H [1,0,0,1,0,0|1,0,0]=3 129 B8R1.11 CCN1CCCC1=O HY-B1620I [1,0,0,1,0,0|1,0,0]=3 130 B8R1.11 CCN1CCCC1=O HY-B1620J [1,0,0,1,0,0|1,0,0]=3 131 B8R1.11 CCN1CCCC1=O HY-B1620L [1,0,0,1,0,0|1,0,0]=3 132 B8R1.11 CCN1CCCC1=O HY-B1620O [1,0,0,1,0,0|1,0,0]=3 133 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.22 O=C1CCCCCN1 HY-W010542 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|1,0,0]=3 137 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,1,0,0|1,0,0]=3 138 B10R1.18 O=C(O)CC1CCCCC1 HY-W018653 [0,1,0,1,0,0|0,0,0]=2 139 B10R1.61 O=C(O)C1CCCCN1O HY-N7378 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.17 BrCCOC1CCCCC1 HY-W092895 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.149 CCC(C)N1CCCC1=O HY-B2234 [0,1,0,1,0,0|1,0,0]=3 142 B10R2.7 C1CCC2CNCC2C1 HY-W017933 [0,0,0,2,0,0|1,0,1]=4