0 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,1,0,0,0,0|1,0,2]=4 9 B10R1.13 CC1=CN=C(C(C)C)C=N1 YMDB01446 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.13 NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.61 NC1=CC=CC=C1C(=O)O YMDB00278 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.61 O=C(O)C1=CC=CC=C1O YMDB01322 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,0,1,0|1,0,0]=2 17 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [0,0,0,0,1,0|1,0,0]=2 18 B8R1.7 CC(=O)C1=NCCC1 YMDB01451 [0,0,0,0,1,0|0,0,3]=4 19 B8R1.7 CC(=O)C1=NCCS1 YMDB01448 [0,0,0,0,1,0|1,0,2]=4 20 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,0,1|1,0,0]=2 21 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,0,1|2,0,0]=3 22 B7R0.4 C\C=C\C=C\C(=O)O YMDB01784 [1,0,1,0,0,0|1,0,1]=4 23 B7R1.3 CC1=NC=CC=C1 YMDB01458 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.1 C=CC1=CC=C(O)C=C1 YMDB01627 [1,1,0,0,0,0|1,0,1]=4 25 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [1,1,0,0,0,0|1,0,1]=4 26 B9R1.8 C\C=C\C1=CN=CC=N1 YMDB01512 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.8 NCCC1=CC=CC=C1 YMDB01558 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.8 O=CCC1=CC=CC=C1 YMDB00116 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.8 OCCC1=CC=CC=C1 YMDB01072 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.15 COC1=CC=CC=C1O YMDB01430 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.35 O=C(O)C1=CC=C(O)O1 YMDB02319 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.3 COC1=CC=C(C(=O)O)C=C1 YMDB01638 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 YMDB01321 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 YMDB02315 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.12 CC=C(C=O)C1=CC=CC=C1 YMDB01440 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.222 COC(=O)C1=CC=CC=C1O YMDB01370 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.159 NC1=C(O)C=CC=C1C(=O)O YMDB00254 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.13 CC(=O)CC1=CC=CO1 YMDB01695 [0,0,1,1,0,0|1,0,1]=4 40 B7R1.1 CCC1=CC=CO1 YMDB01437 [1,0,0,0,1,0|1,0,1]=4 41 B7R1.1 CCC1=NC=CS1 YMDB01505 [1,0,0,0,1,0|1,0,1]=4 42 B7R1.1 CSC1=CSC=C1 YMDB01449 [1,0,0,0,1,0|2,0,0]=4 43 B7R1.1 O=CC1=CC=CO1 YMDB01459 [1,0,0,0,1,0|1,0,0]=3 44 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 YMDB01324 [0,0,0,0,0,2|2,0,0]=4