0 B9R0.47 NC(CCCC=O)C(=O)O YMDB00346 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.47 NCCCC[C@H](N)C(=O)O YMDB00330 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.47 N[C@@H](CCCC=O)C(=O)O YMDB00721 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.6 C=CC(=O)CCCCC YMDB01444 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.6 C=CC(O)CCCCC YMDB01352 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.7 CC(=O)NCCCCN YMDB00738 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.7 CCCCCCC(=O)O YMDB01705 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.7 CCCCCOC(C)=O YMDB01471 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 CCCC[C@H](N)C(=O)O YMDB01001 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.8 CSCCC(=O)C(=O)O YMDB00421 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.8 CSCC[C@@H](N)C(=O)O YMDB00816 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.8 CSCC[C@H](N)C(=O)O YMDB00318 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.8 NCCC[C@H](N)C(=O)O YMDB00353 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.8 N[C@@H](CCC=O)C(=O)O YMDB00918 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O YMDB01562 [0,1,0,0,0,0|2,0,0]=3 15 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O YMDB00158 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O YMDB00999 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.1 CCCCCCC=O YMDB01704 [2,0,0,0,0,0|0,0,0]=2 18 B7R0.1 CCCCCCCO YMDB01475 [2,0,0,0,0,0|0,0,1]=3 19 B7R0.1 CCCC\C=C\C=O YMDB01706 [2,0,0,0,0,0|0,0,2]=4 20 B7R0.1 OCCCCCCO YMDB01709 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.4 CC(C)CCCCO YMDB01409 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.4 CCCCCC(=O)O YMDB01424 [2,0,0,0,0,0|0,0,0]=2 23 B7R0.4 CCCCCC(C)=O YMDB01337 [2,0,0,0,0,0|0,0,1]=3 24 B7R0.4 CCCCCC(C)O YMDB01343 [2,0,0,0,0,0|0,0,0]=2 25 B7R0.5 CCCC(O)C(=O)O YMDB01559 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.5 CCC[C@@H](N)C(=O)O YMDB00822 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.5 NC(CCS)C(=O)O YMDB00371 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.5 N[C@@H](CCO)C(=O)O YMDB00104 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.5 N[C@@H](CCS)C(=O)O YMDB00520 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.2 CCCCCCCC(=O)O YMDB00676 [1,1,0,0,0,0|0,0,0]=2 31 B9R0.2 CCCCCCCC(C)=O YMDB01383 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.2 CCCCCCOC(C)=O YMDB01384 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.48 CCOC(=O)CCC(=O)O YMDB01402 [1,1,0,0,0,0|1,0,1]=4 34 B9R0.55 CC(=O)NCCCC(=O)O YMDB00489 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.7 CC(CCC(=O)O)C(=O)O YMDB01573 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O YMDB00347 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O YMDB00035 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.6 O=C(O)C1CCCCN1 YMDB01675 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 YMDB00723 [1,0,0,1,0,0|2,0,0]=4 40 B11R1.27 CCCCCC1CCC(=O)O1 YMDB01578 [0,0,0,1,0,1|1,0,0]=3 41 B11R1.27 CCCCCC1CCC(=O)O1 YMDB01623 [0,0,0,1,0,1|1,0,0]=3 42 B11R1.230 CCCCC1OC(=O)CC1C YMDB01605 [0,0,0,1,0,1|0,0,0]=2