0 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 YMDB00723 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 YMDB00107 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [1,0,0,0,0,0|0,0,1]=2 4 B8R1.7 O=C(O)[C@@H]1CCCN1 YMDB00378 [1,0,0,0,0,0|0,0,1]=2 5 B8R1.7 O=C(O)[C@H]1CCCN1 YMDB00903 [1,0,0,0,0,0|0,0,1]=2 6 B8R0.8 CCCC[C@H](N)C(=O)O YMDB01001 [0,0,1,0,0,0|1,0,1]=3 7 B8R0.8 CSCC[C@@H](N)C(=O)O YMDB00816 [0,0,1,0,0,0|2,0,0]=3 8 B8R0.8 CSCC[C@H](N)C(=O)O YMDB00318 [0,0,1,0,0,0|2,0,0]=3 9 B8R0.8 NCCC[C@H](N)C(=O)O YMDB00353 [0,0,1,0,0,0|1,0,1]=3 10 B8R0.8 N[C@@H](CCC=O)C(=O)O YMDB00918 [0,0,1,0,0,0|0,0,0]=1 11 B8R0.9 NCC(=O)CCC(=O)O YMDB00083 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.23 CC(=O)N[C@@H](C)C(=O)O YMDB01758 [0,0,1,0,0,0|0,0,0]=1 13 B8R0.23 CC(=O)N[C@H](C)C(=O)O YMDB00855 [0,0,1,0,0,0|0,0,0]=1 14 B8R0.23 N=C(O)NC(O)C(=O)O YMDB01042 [0,0,1,0,0,0|2,0,1]=4 15 B8R0.23 NC(=O)C[C@@H](N)C(=O)O YMDB00849 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.23 NC(=O)C[C@H](N)C(=O)O YMDB00226 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.23 NC(=O)N[C@@H](O)C(=O)O YMDB00377 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.23 N[C@@H](CC(=O)O)C(=O)O YMDB00896 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.23 O=C(O)C[C@H](O)C(=O)O YMDB00280 [0,0,1,0,0,0|3,0,0]=4 20 B7R0.4 CC(=O)NCCC=O YMDB00315 [1,0,1,0,0,0|2,0,0]=4 21 B7R0.4 CCCCCC(=O)O YMDB01424 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.5 CCCC(O)C(=O)O YMDB01559 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.5 CCC[C@@H](N)C(=O)O YMDB00822 [1,0,1,0,0,0|0,0,1]=3 24 B7R0.5 NC(CCS)C(=O)O YMDB00371 [1,0,1,0,0,0|0,1,0]=3 25 B7R0.5 N[C@@H](CC=O)C(=O)O YMDB00034 [1,0,1,0,0,0|0,0,0]=2 26 B7R0.5 N[C@@H](CCO)C(=O)O YMDB00104 [1,0,1,0,0,0|0,0,1]=3 27 B7R0.5 N[C@@H](CCS)C(=O)O YMDB00520 [1,0,1,0,0,0|0,1,0]=3 28 B7R0.6 O=C(O)CCC(=O)O YMDB00338 [1,0,1,0,0,0|2,0,0]=4 29 B9R0.7 CC(=O)OC[C@H](N)C(=O)O YMDB00652 [0,1,1,0,0,0|1,0,0]=3 30 B9R0.7 CC(CCC(=O)O)C(=O)O YMDB01573 [0,1,1,0,0,0|1,0,0]=3 31 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O YMDB00347 [0,1,1,0,0,0|2,0,0]=4 32 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O YMDB00035 [0,1,1,0,0,0|1,0,0]=3 33 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O YMDB00990 [0,1,1,0,0,0|0,0,0]=2 34 B9R0.7 NC(=O)CC[C@H](N)C(=O)O YMDB00002 [0,1,1,0,0,0|0,0,0]=2 35 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O YMDB00271 [0,1,1,0,0,0|0,0,0]=2 36 B9R0.7 O=C(O)CCC(=O)C(=O)O YMDB00153 [0,1,1,0,0,0|1,0,1]=4 37 B9R0.7 O=C(O)CCC(O)C(=O)O YMDB00059 [0,1,1,0,0,0|1,0,0]=3 38 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O YMDB00720 [0,1,1,0,0,0|0,0,0]=2 39 B9R0.47 NC(CCCC=O)C(=O)O YMDB00346 [0,1,1,0,0,0|0,0,0]=2 40 B9R0.47 NCCCC[C@H](N)C(=O)O YMDB00330 [0,1,1,0,0,0|1,0,1]=4 41 B9R0.47 N[C@@H](CCCC=O)C(=O)O YMDB00721 [0,1,1,0,0,0|0,0,0]=2 42 B9R0.48 CCOC(=O)CCC(=O)O YMDB01402 [0,1,1,0,0,0|1,0,0]=3 43 B9R0.39 CC(=O)NC(CO)C(=O)O YMDB00810 [0,1,1,0,0,0|1,0,0]=3 44 B9R0.39 CC(=O)N[C@H](CS)C(=O)O YMDB00820 [0,1,1,0,0,0|1,0,0]=3 45 B9R0.11 CC(O)(CC(=O)O)C(=O)O YMDB01584 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 YMDB00396 [0,1,0,0,0,1|0,0,1]=3 47 B9R1.6 O=C(O)C1CCCCN1 YMDB01675 [0,0,1,1,0,0|1,0,1]=4 48 B7R0.16 CC(=O)[C@H](N)C(=O)O YMDB00695 [0,0,1,0,1,0|1,0,0]=3 49 B7R0.16 CC(C(=O)O)C(=O)O YMDB01567 [0,0,1,0,1,0|1,0,0]=3 50 B9R0.55 CC(=O)NCCCC(=O)O YMDB00489 [0,0,1,0,0,1|1,0,0]=3 51 B9R0.55 N=C(N)NCCCC(N)=O YMDB00586 [0,0,1,0,0,1|2,0,0]=4 52 B9R0.55 NC(N)=NCCCC(=O)O YMDB00585 [0,0,1,0,0,1|1,0,0]=3