0 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [1,0,0,0,0,0|1,0,0]=2 2 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 YMDB01647 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 YMDB01321 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 YMDB00405 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.159 NC1=C(O)C=CC=C1C(=O)O YMDB00254 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.35 O=C(O)C1=CC=C(O)O1 YMDB02319 [0,0,0,0,1,0|1,0,0]=2 11 B8R0.23 C=C(CC(=O)O)C(=O)O YMDB00716 [1,0,1,0,0,0|1,0,1]=4 12 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|0,0,0]=2 13 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|0,0,1]=3 14 B8R1.4 CC1=CC=CC(O)=C1 YMDB01730 [2,0,0,0,0,0|0,0,1]=3 15 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [1,1,0,0,0,0|1,0,1]=4 17 B10R1.13 NC1=CC=C(C(=O)O)C=C1 YMDB00493 [1,1,0,0,0,0|0,0,0]=2 18 B10R1.13 O=C(O)C1=CC=C(O)C=C1 YMDB00495 [1,1,0,0,0,0|0,0,0]=2 19 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.15 N#CC(O)C1=CC=CC=C1 YMDB01642 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.61 NC1=CC=CC=C1C(=O)O YMDB00278 [1,1,0,0,0,0|0,0,0]=2 22 B10R1.61 O=C(O)C1=CC=CC=C1O YMDB01322 [1,1,0,0,0,0|0,0,0]=2 23 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 YMDB01631 [0,2,0,0,0,0|1,0,0]=3 24 B12R1.56 COC1=CC(C(=O)O)=CC=C1O YMDB01802 [0,2,0,0,0,0|0,0,0]=2 25 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 YMDB01323 [0,2,0,0,0,0|0,0,0]=2 26 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 YMDB00159 [0,0,1,1,0,0|1,0,0]=3 27 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [1,0,0,0,1,0|2,0,0]=4 28 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [1,0,0,0,1,0|2,0,0]=4 29 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [1,0,0,0,1,0|2,0,0]=4 30 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [1,0,0,0,0,1|1,0,0]=3 31 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [1,0,0,0,0,1|0,0,0]=2