0 B8R0.6 C=CC(=O)CCCCC YMDB01444 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 C=CC(O)CCCCC YMDB01352 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 CCCCCC(=O)OC YMDB01333 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.1 CCCCCCC=O YMDB01704 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 CCCCCCCO YMDB01475 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 CCCC\C=C\C=O YMDB01706 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CCC(=O)CCSC YMDB01450 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 COC(=O)CCSC YMDB01750 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 CC(=O)NCCC=O YMDB00315 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CC(C)CCCCO YMDB01409 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCCCC(=O)O YMDB01424 [1,0,0,0,0,0|0,0,0]=1 11 B7R0.4 CCCCCC(C)=O YMDB01337 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.4 CCCCCC(C)O YMDB01343 [1,0,0,0,0,0|0,0,2]=3 13 B9R0.5 CCC=CCC(=O)OCC YMDB01357 [0,1,0,0,0,0|0,0,2]=3 14 B9R0.5 CCCCCC(=O)OCC YMDB01381 [0,1,0,0,0,0|0,0,0]=1 15 B9R0.5 CCCCOC(=O)CCC YMDB01399 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.5 CCC\C=C\C(=O)OCC YMDB01365 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.46 CCCCCOC(=O)CC YMDB01636 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.47 C=C(C)C(=O)OCCCC YMDB01329 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.47 CCCCOC(=O)C(C)C YMDB01328 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.6 CCCCCC=O YMDB01759 [2,0,0,0,0,0|0,0,0]=2 21 B6R0.6 CCCCCCO YMDB01473 [2,0,0,0,0,0|0,0,1]=3 22 B6R0.6 CCC\C=C/C=O YMDB01655 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.6 CCOCCCO YMDB01423 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 CCCC(=O)OC YMDB01743 [2,0,0,0,0,0|0,0,0]=2 25 B6R0.1 CCOC(=O)CC YMDB01331 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CCCCC(=O)O YMDB01484 [2,0,0,0,0,0|0,0,0]=2 27 B6R0.4 CCCCC(C)O YMDB01793 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 CCCOC(C)=O YMDB01390 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 NCCCC(=O)O YMDB00335 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 O=CCCC(=O)O YMDB00236 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.4 CCCCCCCCO YMDB00808 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.7 CCCCCOC(C)=O YMDB01471 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.28 CC(=O)CCC=C(C)C YMDB00877 [1,1,0,0,0,0|0,0,2]=4 34 B8R0.28 CC(=O)OCCC(C)C YMDB00571 [1,1,0,0,0,0|1,0,0]=3 35 B10R0.1 CCCCCCC(=O)OCC YMDB01474 [0,2,0,0,0,0|0,0,0]=2 36 B10R0.1 CCCCCOC(C)OCC YMDB01363 [0,2,0,0,0,0|1,0,1]=4 37 B10R0.2 CCCC(O)CC(=O)OCC YMDB01356 [0,2,0,0,0,0|0,0,0]=2 38 B10R0.2 CCOC(=O)CC(=O)OCC YMDB01670 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.19 CCOC(=O)C(N)CCSC YMDB01686 [0,2,0,0,0,0|1,0,0]=3 40 B10R0.83 CCCCOC(=O)C(C)CC YMDB01358 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.91 CCCCCC(=O)OCCC YMDB01347 [0,2,0,0,0,0|0,0,0]=2 42 B10R0.74 CCCCCCCC(=O)OC YMDB01339 [0,2,0,0,0,0|0,0,0]=2 43 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 CC(=O)C1=NCCC1 YMDB01451 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 O=C(O)[C@@H]1CCCN1 YMDB00378 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.7 O=C(O)[C@H]1CCCN1 YMDB00903 [1,0,0,1,0,0|1,0,0]=3 48 B10R1.10 CCCC1CCCC(=O)O1 YMDB01669 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.21 CCCCCC1=CC=CO1 YMDB01439 [0,1,0,1,0,0|1,0,1]=4