0 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 NCCC1=CC=CC=C1 YMDB01558 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 O=CCC1=CC=CC=C1 YMDB00116 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 OCCC1=CC=CC=C1 YMDB01072 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,1,0|1,0,1]=3 7 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,1,0|2,0,1]=4 8 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,1,0|2,0,1]=4 9 B9R1.13 CC(=O)CC1=CC=CO1 YMDB01695 [0,0,0,0,1,0|2,0,1]=4 10 B9R1.13 CC(C)CC1=NC=CS1 YMDB01585 [0,0,0,0,1,0|3,0,0]=4 11 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|1,0,1]=4 12 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.1 CCCC1=NC=C(C)N=C1 YMDB01504 [1,1,0,0,0,0|2,0,0]=4 14 B10R1.1 NCCC1=CC=C(O)C=C1 YMDB01797 [1,1,0,0,0,0|0,0,0]=2 15 B10R1.1 OCCC1=CC=C(O)C=C1 YMDB01798 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.4 OCCC1=CC=CC=C1O YMDB02314 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.15 N#CC(O)C1=CC=CC=C1 YMDB01642 [1,1,0,0,0,0|0,0,2]=4 18 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,1,0|1,0,1]=4 19 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,1,0,0,1,0|1,0,0]=3 20 B10R1.27 N[C@H](CO)CC1=CN=CN1 YMDB00702 [0,1,0,0,1,0|2,0,0]=4 21 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,1,0,0,0,1|1,0,1]=4 22 B8R1.8 NCCC1=CNC=N1 YMDB01556 [1,0,0,0,1,0|2,0,0]=4 23 B8R1.8 SCCC1=CC=CO1 YMDB01460 [1,0,0,0,1,0|2,0,0]=4 24 B12R1.252 CC(=O)OCCC1=CC=CC=C1 YMDB00574 [0,0,0,0,0,2|1,0,1]=4