0 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O YMDB00369 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O YMDB00794 [0,1,0,0,0,0|3,0,0]=4 2 B9R1.13 CC(=O)CC1=CC=CO1 YMDB01695 [0,0,0,0,1,0|0,0,0]=1 3 B8R1.8 SCCC1=CC=CO1 YMDB01460 [2,0,0,0,0,0|0,1,0]=3 4 B10R1.21 CCCCCC1=CC=CO1 YMDB01439 [1,1,0,0,0,0|0,0,1]=3 5 B10R1.21 CCCCCC1=CC=CS1 YMDB01514 [1,1,0,0,0,0|0,1,1]=4 6 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 YMDB00159 [0,1,0,0,1,0|1,0,1]=4 7 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,1,0,0,0,1|2,0,0]=4 8 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,1,0,0,0,1|2,0,0]=4 9 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,1,0,0,0,1|2,0,0]=4 10 B12R1.107 CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [0,1,0,0,0,1|2,0,0]=4 11 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,0,2,0|0,1,0]=3 12 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [0,0,0,0,2,0|1,1,0]=4 13 B12R1.252 CC(=O)OCCC1=CC=CC=C1 YMDB00574 [0,0,0,0,0,2|1,0,0]=3