0 B9R1.35 O=C(O)C1CC(O)C=N1 YMDB00718 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 YMDB00723 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 YMDB00107 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 CC(=O)C1=NCCC1 YMDB01451 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [1,0,0,0,0,0|0,0,2]=3 5 B8R1.7 O=C(O)[C@@H]1CCCN1 YMDB00378 [1,0,0,0,0,0|0,0,0]=1 6 B8R1.7 O=C(O)[C@H]1CCCN1 YMDB00903 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.8 CCCC[C@H](N)C(=O)O YMDB01001 [0,0,1,0,0,0|3,0,0]=4 8 B8R0.8 NCCC[C@H](N)C(=O)O YMDB00353 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.9 N#CC(N)CCC(=O)O YMDB00784 [0,0,1,0,0,0|1,0,2]=4 10 B8R0.9 NCC(=O)CCC(=O)O YMDB00083 [0,0,1,0,0,0|0,0,2]=3 11 B8R0.23 CC(C)CC(=O)C(=O)O YMDB00388 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.23 CC(C)CC(O)C(=O)O YMDB02318 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.23 CC(C)C[C@@H](N)C(=O)O YMDB00997 [0,0,1,0,0,0|1,0,0]=2 14 B8R0.23 CC(C)C[C@H](N)C(=O)O YMDB00387 [0,0,1,0,0,0|1,0,0]=2 15 B8R0.23 NC(=O)C[C@@H](N)C(=O)O YMDB00849 [0,0,1,0,0,0|1,0,2]=4 16 B8R0.23 NC(=O)C[C@H](N)C(=O)O YMDB00226 [0,0,1,0,0,0|1,0,2]=4 17 B8R0.23 N[C@@H](CC(=O)O)C(=O)O YMDB00896 [0,0,1,0,0,0|1,0,1]=3 18 B8R0.23 O=C(O)C[C@H](O)C(=O)O YMDB00280 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.4 CCCCCC(=O)O YMDB01424 [1,0,1,0,0,0|1,0,0]=3 20 B7R0.4 CCCCCC(C)=O YMDB01337 [1,0,1,0,0,0|2,0,0]=4 21 B7R0.5 CCCC(O)C(=O)O YMDB01559 [1,0,1,0,0,0|1,0,0]=3 22 B7R0.5 CCC[C@@H](N)C(=O)O YMDB00822 [1,0,1,0,0,0|0,0,0]=2 23 B7R0.5 NC(CCS)C(=O)O YMDB00371 [1,0,1,0,0,0|0,1,0]=3 24 B7R0.5 N[C@@H](CC=O)C(=O)O YMDB00034 [1,0,1,0,0,0|0,0,2]=4 25 B7R0.5 N[C@@H](CCO)C(=O)O YMDB00104 [1,0,1,0,0,0|0,0,0]=2 26 B7R0.5 N[C@@H](CCS)C(=O)O YMDB00520 [1,0,1,0,0,0|0,1,0]=3 27 B7R0.6 O=C(O)CCC(=O)O YMDB00338 [1,0,1,0,0,0|1,0,1]=4 28 B7R1.1 OCC1CCCC1 YMDB01361 [2,0,0,0,0,0|1,0,1]=4 29 B9R0.7 CC(CCC(=O)O)C(=O)O YMDB01573 [0,1,1,0,0,0|1,0,1]=4 30 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O YMDB00166 [0,1,1,0,0,0|1,0,1]=4 31 B9R1.6 O=C(O)C1CCCCN1 YMDB01675 [0,0,1,1,0,0|1,0,0]=3 32 B7R0.16 CC(=O)[C@H](N)C(=O)O YMDB00695 [0,0,1,0,1,0|0,0,2]=4 33 B7R0.16 CC(C)C(O)C(=O)O YMDB01318 [0,0,1,0,1,0|2,0,0]=4 34 B7R0.16 CC(C)[C@@H](N)C(=O)O YMDB01000 [0,0,1,0,1,0|1,0,0]=3 35 B7R0.16 CC(C)[C@H](N)C(=O)O YMDB00152 [0,0,1,0,1,0|1,0,0]=3 36 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O YMDB00214 [0,0,1,0,1,0|0,0,0]=2 37 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O YMDB00802 [0,0,1,0,1,0|0,0,0]=2 38 B7R0.16 C[C@H](O)[C@H](N)C(=O)O YMDB00295 [0,0,1,0,1,0|0,0,0]=2