0 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [0,0,0,0,0,0|0,0,2]=2 2 B7R1.3 CC1=NC=CC=C1 YMDB01458 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.1 C=CC1=CC=C(O)C=C1 YMDB01627 [0,1,0,0,0,0|1,0,0]=2 4 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [0,1,0,0,0,0|1,0,1]=3 5 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [0,1,0,0,0,0|0,0,0]=1 6 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.8 C\C=C\C1=CN=CC=N1 YMDB01512 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.8 NCCC1=CC=CC=C1 YMDB01558 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.8 O=CCC1=CC=CC=C1 YMDB00116 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.8 OCCC1=CC=CC=C1 YMDB01072 [0,1,0,0,0,0|0,0,2]=3 14 B9R1.15 COC1=CC=CC=C1O YMDB01430 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.1 CCC1=CC=CO1 YMDB01437 [0,0,0,0,1,0|2,0,1]=4 16 B7R1.1 CSC1=CSC=C1 YMDB01449 [0,0,0,0,1,0|3,0,0]=4 17 B7R1.1 O=CC1=CC=CO1 YMDB01459 [0,0,0,0,1,0|1,0,0]=2 18 B7R1.1 OCC1=CC=CS1 YMDB01447 [0,0,0,0,1,0|1,0,2]=4 19 B7R1.1 SCC1=CC=CO1 YMDB01433 [0,0,0,0,1,0|1,1,1]=4 20 B8R1.3 O=C1C=CC(=O)C=C1 YMDB00155 [1,1,0,0,0,0|0,0,0]=2 21 B8R1.4 CC1=CC=CC(O)=C1 YMDB01730 [1,1,0,0,0,0|0,0,1]=3 22 B8R1.4 NC1=CC=NC(=O)N1 YMDB00651 [1,1,0,0,0,0|2,0,0]=4 23 B8R1.4 O=C1C=CNC(=O)N1 YMDB00098 [1,1,0,0,0,0|2,0,0]=4 24 B8R1.5 CC1=CC=CC=C1O YMDB01457 [1,1,0,0,0,0|0,0,1]=3 25 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,0,1,0|1,0,0]=3 26 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [0,1,0,0,1,0|1,0,0]=3 27 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,1,0,0,1,0|1,0,0]=3 28 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.1 NCCC1=CC=C(O)C=C1 YMDB01797 [0,2,0,0,0,0|1,0,1]=4 30 B10R1.1 OCCC1=CC=C(O)C=C1 YMDB01798 [0,2,0,0,0,0|0,0,2]=4 31 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,2,0,0,0,0|0,0,0]=2 32 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,2,0,0,0,0|0,0,2]=4 33 B10R1.13 NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,2,0,0,0,0|0,0,0]=2 34 B10R1.13 O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,2,0,0,0,0|0,0,0]=2 35 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,2,0,0,0,0|1,0,0]=3 36 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.15 N#CC(O)C1=CC=CC=C1 YMDB01642 [0,2,0,0,0,0|0,0,2]=4 38 B10R1.61 NC1=CC=CC=C1C(=O)O YMDB00278 [0,2,0,0,0,0|0,0,0]=2 39 B10R1.61 O=C(O)C1=CC=CC=C1O YMDB01322 [0,2,0,0,0,0|0,0,0]=2 40 B10R1.4 OCCC1=CC=CC=C1O YMDB02314 [0,2,0,0,0,0|0,0,2]=4 41 B10R1.17 O=C\C=C\C1=CC=CC=C1 YMDB01654 [0,2,0,0,0,0|0,0,0]=2 42 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [0,2,0,0,0,0|0,0,0]=2 43 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [0,2,0,0,0,0|0,0,0]=2 44 B10R2.7 C1=CC=C2SC=NC2=C1 YMDB01432 [0,1,0,1,0,0|0,1,0]=3 45 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,0,1,0|1,0,1]=4