0 B6R0.6 CCCCCCN C08306 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.6 CCCCOC=O C21713 [0,0,0,0,0,0|1,1,1]=3 2 B6R0.6 CCC\C=C\C=O C08497 [0,0,0,0,0,0|0,1,3]=4 3 B6R0.6 CC\C=C/CC=O C16310 [0,0,0,0,0,0|0,1,3]=4 4 B6R0.6 CC\C=C/CCO C08492 [0,0,0,0,0,0|0,1,2]=3 5 B6R0.6 CNCCCC=O C10974 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.6 CNCCCCN C02723 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 ClCCNCCCl C16552 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 ClCCOCCCl C14688 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 ClCCSCCCl C19164 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 NCCCCC=O C12455 [0,0,0,0,0,0|1,1,1]=3 11 B6R0.6 NCCCCCN C01672 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 O=CCCCC=O C12518 [0,0,0,0,0,0|1,1,2]=4 13 B6R0.6 OCCNCCO C06772 [0,0,0,0,0,0|2,1,0]=3 14 B6R0.6 OCCOCCO C14689 [0,0,0,0,0,0|2,1,0]=3 15 B5R0.2 CCCCCC C11271 [1,0,0,0,0,0|0,0,0]=1 16 B5R0.2 CCCCCO C16834 [1,0,0,0,0,0|0,1,0]=2 17 B5R0.2 CCNNCC C19227 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 CCOCCO C14687 [1,0,0,0,0,0|1,1,0]=3 19 B5R0.2 CSCCCN C03354 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 NCCCC=O C00555 [1,0,0,0,0,0|1,1,1]=4 21 B5R0.2 NCCCC=O C02903 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.2 NCCCCN C00134 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 NCCCCN C02896 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 CCCCCCC=O C14390 [0,1,0,0,0,0|0,1,0]=2 25 B7R0.1 CCCCCCCC C01387 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.1 CCCCOCCO C19355 [0,1,0,0,0,0|0,1,0]=2 27 B7R0.1 CCCSSCCC C08373 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.1 CSCCC\C=N\O C17241 [0,1,0,0,0,0|1,1,1]=4 29 B7R0.1 CSCCC\C=N\O C21535 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.1 ClCOCCOCCl C19348 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.1 NCCCNCCS C07651 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.4 CC(C)CCOC=O C12293 [0,1,0,0,0,0|1,1,1]=4 33 B7R0.4 CC(C)CCON=O C07457 [0,1,0,0,0,0|2,1,0]=4 34 B7R0.4 CCCCCC(=O)O C01585 [0,1,0,0,0,0|0,1,1]=3 35 B7R0.4 CCCCCC(C)=O C08380 [0,1,0,0,0,0|0,1,1]=3 36 B7R0.4 CCCCOC(C)=O C12304 [0,1,0,0,0,0|1,1,1]=4 37 B7R0.4 CNCCCC(=O)O C15987 [0,1,0,0,0,0|1,1,1]=4 38 B7R0.4 NCCCCC(=O)O C00431 [0,1,0,0,0,0|1,1,1]=4 39 B7R0.4 NCCCCC(N)=O C00990 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.4 O=C(O)CCCCO C02804 [0,1,0,0,0,0|1,1,1]=4 41 B7R0.4 [*]CCCCC(=O)[O-] C03129 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.7 CN(CCCl)CCCl C07115 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.1 O=NN1CCCC1 C19285 [0,0,0,1,0,0|2,1,0]=4 44 B7R1.3 NC1CCCCC1 C00571 [0,0,0,1,0,0|1,0,0]=2 45 B7R1.3 O=C1CCCCC1 C00414 [0,0,0,1,0,0|0,1,1]=3 46 B7R1.3 O=C1CCCCO1 C02240 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.3 OC1CCCCC1 C00854 [0,0,0,1,0,0|0,1,0]=2 48 B7R1.4 CN1CCCC1=O C11118 [0,0,0,1,0,0|1,1,1]=4 49 B4R0.2 CCCC=O C01412 [2,0,0,0,0,0|0,1,1]=4 50 B4R0.2 CCCCO C06142 [2,0,0,0,0,0|0,1,0]=3 51 B4R0.2 CCOCC C13240 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.2 CCSCC C02272 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 NCCCN C00986 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 OCCCO C02457 [2,0,0,0,0,0|1,1,0]=4 55 B6R0.4 CC(C)CCC=O C02373 [1,1,0,0,0,0|0,1,1]=4 56 B6R0.4 CCCCC(=O)O C00803 [1,1,0,0,0,0|0,1,1]=4 57 B6R0.4 CCCCC(N)=O C01842 [1,1,0,0,0,0|0,1,1]=4 58 B6R0.4 O=C(O)CCCS C21736 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.4 CCCCCCCC=O C01545 [0,2,0,0,0,0|0,1,0]=3 60 B8R0.4 CCCCCCCCN C01740 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.4 CCCCCCCCO C00756 [0,2,0,0,0,0|0,1,0]=3 62 B8R0.4 CCCCC\C=C\C=O C21138 [0,2,0,0,0,0|0,1,1]=4 63 B8R0.4 CSCCCC\C=N\O C17245 [0,2,0,0,0,0|0,1,1]=4 64 B8R0.4 NCCCNCCCN C03375 [0,2,0,0,0,0|1,0,0]=3 65 B8R0.6 C=CC(O)CCCCC C14272 [0,2,0,0,0,0|0,1,0]=3 66 B8R0.6 CCCCCC(=O)CC C17145 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.6 CCCCCC(=O)NC C02722 [0,2,0,0,0,0|0,1,1]=4 68 B8R0.6 CCCCCC(O)CC C17144 [0,2,0,0,0,0|0,1,0]=3 69 B8R0.6 CSCCC\C(S)=N\O C17243 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.6 OCCCCC(O)CO C20334 [0,2,0,0,0,0|0,1,0]=3 71 B8R0.6 [*]SC(=O)CCCCC C05749 [0,2,0,0,0,0|0,0,1]=3 72 B8R0.7 CC(=O)NCCCCN C02714 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.7 CCCCCCC(=O)O C17714 [0,2,0,0,0,0|0,1,0]=3 74 B8R0.7 NCCCCCC(=O)O C02378 [0,2,0,0,0,0|0,1,1]=4 75 B8R0.7 O=C(O)CCCCCO C06103 [0,2,0,0,0,0|0,1,1]=4 76 B8R0.8 CCCC[C@H](N)C(=O)O C01933 [0,2,0,0,0,0|0,1,1]=4 77 B8R0.11 CCCCC(CC)CO C02498 [0,2,0,0,0,0|0,1,0]=3 78 B8R0.22 CCCN(CCC)N=O C19279 [0,2,0,0,0,0|2,0,0]=4 79 B6R1.1 C1=NCCCC1 C06181 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.1 C1CCCCC1 C11249 [1,0,0,1,0,0|0,0,0]=2 81 B6R1.1 C1CCNCC1 C01746 [1,0,0,1,0,0|1,0,0]=3 82 B6R1.1 C1CNCCN1 C07973 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.1 C1CNCCN1 C12839 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.1 C1COCCN1 C14452 [1,0,0,1,0,0|1,1,0]=4 85 B6R1.1 C1COCCO1 C14440 [1,0,0,1,0,0|1,1,0]=4 86 B6R1.1 C1CSCCS1 C01871 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.2 CC1=NCCC1 C20808 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.2 C[C@@H]1CCCN1 C20809 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.2 C[N+]1=CCCC1 C06178 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.2 O=C1CCCC1 C00557 [1,0,0,1,0,0|0,1,1]=4 91 B6R1.2 OC1CCCC1 C02020 [1,0,0,1,0,0|0,1,0]=3 92 B6R1.3 OCCN1CC1 C19332 [1,0,0,1,0,0|1,1,0]=4 93 B8R1.2 O=NN1CCCCC1 C19284 [0,1,0,1,0,0|1,1,0]=4 94 B8R1.2 [C-]#[N+]C1CCCCC1 C11520 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.5 O=C1CCCCC1O C01147 [0,1,0,1,0,0|0,1,1]=4 96 B8R1.5 O[C@@H]1CCCC[C@H]1O C03739 [0,1,0,1,0,0|0,1,0]=3 97 B8R1.5 O[C@H]1CCCC[C@H]1O C12313 [0,1,0,1,0,0|0,1,0]=3 98 B8R1.22 O=C1CCCCCN1 C06593 [0,1,0,1,0,0|0,1,1]=4 99 B8R1.22 O=C1CCCCCO1 C01880 [0,1,0,1,0,0|0,1,1]=4 100 B8R1.4 O=C1CCCC(O)C1 C03228 [0,1,0,1,0,0|0,1,1]=4 101 B8R1.7 O=C(O)C1CCCS1 C11074 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.72 C[N+]1(C)CCCCC1 C18475 [0,1,0,1,0,0|2,0,0]=4