0 B7R0.1 CCCCCCC=O YMDB01704 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.1 CCCCCCCO YMDB01475 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.1 CCCC\C=C\C=O YMDB01706 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.1 OCCCCCCO YMDB01709 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCCCCC=O YMDB01759 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.6 CCCCCCO YMDB01473 [1,0,0,0,0,0|0,0,1]=2 6 B6R0.6 CCC\C=C/C=O YMDB01655 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.6 CCC\C=C\CO YMDB01676 [1,0,0,0,0,0|0,0,3]=4 8 B6R0.6 CCOCCCO YMDB01423 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.6 CC\C=C/CCO YMDB01420 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.6 CC\C=C\CCO YMDB01421 [1,0,0,0,0,0|0,0,3]=4 11 B6R0.6 NCCCCCN YMDB02303 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.4 CCCCCCCC=O YMDB00824 [0,1,0,0,0,0|0,0,0]=1 13 B8R0.4 CCCCCCCCO YMDB00808 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.6 C=CC(=O)CCCCC YMDB01444 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.6 C=CC(O)CCCCC YMDB01352 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.6 CCCCCC(=O)OC YMDB01333 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.7 CC(=O)NCCCC=O YMDB00209 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.7 CC(=O)NCCCCN YMDB00738 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.7 CC(C)CCCCCO YMDB01717 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.7 CCCCCCC(=O)O YMDB01705 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.7 CCCCCOC(C)=O YMDB01471 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.2 CCCCCO YMDB01470 [2,0,0,0,0,0|0,0,1]=3 23 B5R0.2 CCSSCC YMDB01671 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.2 CSCCC=O YMDB01466 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.2 CSCCCO YMDB01427 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.2 NCCCC=O YMDB00587 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.2 NCCCCN YMDB00132 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CC(=O)NCCC=O YMDB00315 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.4 CC(C)CCCCO YMDB01409 [1,1,0,0,0,0|0,0,1]=3 30 B7R0.4 CCCCCC(=O)O YMDB01424 [1,1,0,0,0,0|0,0,0]=2 31 B7R0.4 CCCCCC(C)=O YMDB01337 [1,1,0,0,0,0|0,0,0]=2 32 B7R0.4 CCCCCC(C)O YMDB01343 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.7 CCCC(S)CCO YMDB01417 [1,1,0,0,0,0|0,0,1]=3 34 B9R0.48 CCOC(=O)CCC(=O)O YMDB01402 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.2 CC=CCCCOC(C)=O YMDB01378 [0,2,0,0,0,0|0,0,2]=4 36 B9R0.2 CCCCCCCC(=O)O YMDB00676 [0,2,0,0,0,0|0,0,0]=2 37 B9R0.2 CCCCCCCC(C)=O YMDB01383 [0,2,0,0,0,0|0,0,0]=2 38 B9R0.2 CCCCCCOC(C)=O YMDB01384 [0,2,0,0,0,0|0,0,0]=2 39 B9R0.45 CCCCCC\C=C\C=O YMDB01794 [0,2,0,0,0,0|0,0,0]=2 40 B9R0.45 CCCC\C=C\C=C\C=O YMDB01795 [0,2,0,0,0,0|0,0,2]=4 41 B9R0.45 NCCCCNCCCN YMDB00232 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.46 CCCCCOC(=O)CC YMDB01636 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.47 NC(CCCC=O)C(=O)O YMDB00346 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.47 NCCCC[C@H](N)C(=O)O YMDB00330 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.47 N[C@@H](CCCC=O)C(=O)O YMDB00721 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.55 CC(=O)NCCCC(=O)O YMDB00489 [0,2,0,0,0,0|1,0,1]=4 47 B7R1.1 OCC1CCCC1 YMDB01361 [1,0,0,1,0,0|0,0,1]=3 48 B7R1.3 OC1CCCCC1 YMDB01398 [1,0,0,1,0,0|0,0,1]=3 49 B7R1.4 CC1SCCC1=O YMDB01467 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.6 O=C(O)C1CCCCN1 YMDB01675 [0,1,0,1,0,0|1,0,0]=3