0 B6R0.6 CCCCCC=O YMDB01759 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCCCCCO YMDB01473 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.6 CCC\C=C/C=O YMDB01655 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 CCC\C=C\CO YMDB01676 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 CCOCCCO YMDB01423 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.6 CC\C=C/CCO YMDB01420 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.6 CC\C=C\CCO YMDB01421 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.6 C\C=C\C=C\CO YMDB01707 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.6 NCCCCCN YMDB02303 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 CCCCCO YMDB01470 [1,0,0,0,0,0|0,0,1]=2 10 B5R0.2 CCSSCC YMDB01671 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 CSCCCO YMDB01427 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.2 NCCCC=O YMDB00587 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 NCCCCN YMDB00132 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 CCCCCCC=O YMDB01704 [0,1,0,0,0,0|0,0,3]=4 15 B7R0.1 CCCCCCCO YMDB01475 [0,1,0,0,0,0|0,0,2]=3 16 B7R0.1 CCCC\C=C\C=O YMDB01706 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.1 OCCCCCCO YMDB01709 [0,1,0,0,0,0|0,0,2]=3 18 B7R0.3 CCC(=O)CCSC YMDB01450 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.4 CC(C)CCCCO YMDB01409 [0,1,0,0,0,0|0,0,2]=3 20 B7R0.4 CCCCCC(=O)O YMDB01424 [0,1,0,0,0,0|0,0,3]=4 21 B7R0.4 CCCCCC(C)O YMDB01343 [0,1,0,0,0,0|0,0,2]=3 22 B7R0.4 C\C=C\C=C\C(=O)O YMDB01784 [0,1,0,0,0,0|0,0,3]=4 23 B7R0.7 CCCC(=O)OCC YMDB01385 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.7 CCCC(S)CCO YMDB01417 [0,1,0,0,0,0|0,0,2]=3 25 B7R1.1 CCC1=CC=CO1 YMDB01437 [0,0,0,1,0,0|0,0,2]=3 26 B7R1.1 OCC1=CC=CS1 YMDB01447 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.1 OCC1CCCC1 YMDB01361 [0,0,0,1,0,0|0,0,2]=3 28 B7R1.1 SCC1=CC=CO1 YMDB01433 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.3 CC1SCCSS1 YMDB01497 [0,0,0,1,0,0|2,1,0]=4 30 B7R1.3 OC1CCCCC1 YMDB01398 [0,0,0,1,0,0|0,0,2]=3 31 B4R0.2 C=COCC YMDB01335 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.2 CCCCO YMDB01386 [2,0,0,0,0,0|0,0,0]=2 33 B4R0.2 CCOC=O YMDB01684 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.2 CCSCC YMDB01672 [2,0,0,0,0,0|1,0,0]=3 35 B4R0.2 CSCCO YMDB01590 [2,0,0,0,0,0|1,0,0]=3 36 B4R0.2 NCCC=O YMDB00048 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.2 NCCCN YMDB00042 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.2 OCCCO YMDB02312 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.1 CCC(C)CCO YMDB01428 [1,1,0,0,0,0|0,0,1]=3 40 B6R0.1 CCCC(=O)OC YMDB01743 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.1 CCOC(=O)CC YMDB01331 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.4 CC(C)CCCO YMDB01348 [1,1,0,0,0,0|0,0,1]=3 43 B6R0.4 CCCCC(=O)O YMDB01484 [1,1,0,0,0,0|0,0,2]=4 44 B6R0.4 CCCCC(C)O YMDB01793 [1,1,0,0,0,0|0,0,1]=3 45 B6R0.4 CCCOC(C)=O YMDB01390 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.1 CCCCC(=O)OCC YMDB01342 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.1 CCCOC(=O)CCC YMDB01397 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.1 CCOC(=O)CCCO YMDB01419 [0,2,0,0,0,0|0,0,1]=3 49 B8R0.4 CCCCCCCCO YMDB00808 [0,2,0,0,0,0|0,0,2]=4 50 B8R0.6 C=CC(O)CCCCC YMDB01352 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.7 CC(C)CCCCCO YMDB01717 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.7 CCCCCCC(=O)O YMDB01705 [0,2,0,0,0,0|0,0,2]=4 53 B8R0.3 CCOC(=O)C(C)CC YMDB01353 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.11 CCCCC(CC)CO YMDB01330 [0,2,0,0,0,0|0,0,2]=4 55 B8R0.5 CCOC(=O)CC(C)C YMDB01334 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.5 CCOC(=O)CC(C)O YMDB01425 [0,2,0,0,0,0|1,0,0]=3 57 B6R1.1 C1CCNCC1 YMDB01338 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.2 O=C1CCCO1 YMDB01418 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.8 SCCC1=CC=CO1 YMDB01460 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.11 CCC1=C(C)N=CO1 YMDB01498 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [0,1,0,1,0,0|1,0,1]=4