0 B7R0.1 CCCCCCC=O C14390 [0,0,0,0,0,0|0,1,1]=2 1 B7R0.1 CCCCCCCC C01387 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.1 CCCCOCCO C19355 [0,0,0,0,0,0|1,1,0]=2 3 B7R0.1 CCCSSCCC C08373 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CSCCC\C=N\O C17241 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.1 CSCCC\C=N\O C21535 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.1 ClCOCCOCCl C19348 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 NCCCNCCS C07651 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 CCCCCCN C08306 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.6 CCCCOC=O C21713 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.6 CC\C=C/CCO C08492 [1,0,0,0,0,0|0,1,2]=4 11 B6R0.6 CNCCCC=O C10974 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.6 CNCCCCN C02723 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.6 ClCCNCCCl C16552 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 ClCCOCCCl C14688 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 ClCCSCCCl C19164 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 NCCCCC=O C12455 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.6 NCCCCCN C01672 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 OCCNCCO C06772 [1,0,0,0,0,0|2,1,0]=4 19 B6R0.6 OCCOCCO C14689 [1,0,0,0,0,0|2,1,0]=4 20 B8R0.4 CCCCCCCC=O C01545 [0,1,0,0,0,0|0,1,0]=2 21 B8R0.4 CCCCCCCCN C01740 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.4 CCCCCCCCO C00756 [0,1,0,0,0,0|0,1,0]=2 23 B8R0.4 CCCCC\C=C\C=O C21138 [0,1,0,0,0,0|0,1,2]=4 24 B8R0.4 CSCCCC\C=N\O C17245 [0,1,0,0,0,0|1,1,1]=4 25 B8R0.4 NCCCNCCCN C03375 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.6 C=CC(O)CCCCC C14272 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.6 CCCCCC(=O)CC C17145 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.6 CCCCCC(=O)NC C02722 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.6 CCCCCC(O)CC C17144 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.6 OCCCCC(O)CO C20334 [0,1,0,0,0,0|1,1,0]=3 31 B8R0.6 [*]SC(=O)CCCCC C05749 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.7 CC(=O)NCCCCN C02714 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 CCCCCCC(=O)O C17714 [0,1,0,0,0,0|0,1,1]=3 34 B8R0.7 NCCCCCC(=O)O C02378 [0,1,0,0,0,0|1,1,1]=4 35 B8R0.7 O=C(O)CCCCCO C06103 [0,1,0,0,0,0|1,1,1]=4 36 B8R1.2 O=NN1CCCCC1 C19284 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.2 [C-]#[N+]C1CCCCC1 C11520 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.5 O=C1CCCCC1O C01147 [0,0,0,1,0,0|1,1,1]=4 39 B8R1.5 O[C@@H]1CCCC[C@H]1O C03739 [0,0,0,1,0,0|1,1,0]=3 40 B8R1.5 O[C@H]1CCCC[C@H]1O C12313 [0,0,0,1,0,0|1,1,0]=3 41 B8R1.22 O=C1CCCCCN1 C06593 [0,0,0,1,0,0|1,1,1]=4 42 B8R1.22 O=C1CCCCCO1 C01880 [0,0,0,1,0,0|1,1,1]=4 43 B5R0.2 CCCCCC C11271 [2,0,0,0,0,0|0,0,0]=2 44 B5R0.2 CCCCCO C16834 [2,0,0,0,0,0|0,1,0]=3 45 B5R0.2 CCNNCC C19227 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 CCOCCO C14687 [2,0,0,0,0,0|1,1,0]=4 47 B5R0.2 CSCCCN C03354 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 NCCCCN C00134 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 NCCCCN C02896 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 CCCCCC(=O)O C01585 [1,1,0,0,0,0|0,1,1]=4 51 B7R0.4 CCCCCC(C)=O C08380 [1,1,0,0,0,0|0,0,1]=3 52 B7R0.4 CCCCOC(C)=O C12304 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.2 CCCCCCCC(=O)O C06423 [0,2,0,0,0,0|0,1,0]=3 54 B9R0.2 O=C(O)CCCCCCS C16593 [0,2,0,0,0,0|0,0,1]=3 55 B9R0.45 CCCCCCCCCO C14696 [0,2,0,0,0,0|0,1,0]=3 56 B9R0.45 CSCCCCC\C=N\O C17246 [0,2,0,0,0,0|0,1,1]=4 57 B9R0.45 NCCCCNCCCN C00315 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.45 NCCC\C=N\CCCN C15853 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.45 NCCNCCNCCN C07166 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.45 OCCCCCCCCO C14218 [0,2,0,0,0,0|0,1,0]=3 61 B9R0.46 CCCCCCC(O)CO C14273 [0,2,0,0,0,0|0,1,0]=3 62 B7R1.3 NC1CCCCC1 C00571 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.3 O=C1CCCCC1 C00414 [1,0,0,1,0,0|0,1,1]=4 64 B7R1.3 OC1CCCCC1 C00854 [1,0,0,1,0,0|0,1,0]=3 65 B9R1.8 CCCC1=NCCCC1 C10138 [0,1,0,1,0,0|1,0,0]=3 66 B9R1.8 CCC[C@H]1CCCCN1 C06523 [0,1,0,1,0,0|1,0,0]=3 67 B9R1.8 O=CNC1CCCCC1 C11519 [0,1,0,1,0,0|0,1,1]=4 68 B9R1.5 CC1CCCCOC1=O C10976 [0,1,0,1,0,0|0,1,1]=4 69 B9R1.6 O=C(O)C1CCCCC1 C09822 [0,1,0,1,0,0|0,1,1]=4 70 B9R1.13 O=C(O)CC1CCCS1 C11072 [0,1,0,1,0,0|1,0,1]=4