0 B8R1.4 CC1=CC=CC(O)=C1 YMDB01730 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.4 CC1=CN=CC(C)=N1 YMDB01600 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 NC1=CC=NC(=O)N1 YMDB00651 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 O=C1C=CNC(=O)N1 YMDB00098 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 CC1=NC=CC=C1 YMDB01458 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.3 CC1=C(O)C(=O)C=CO1 YMDB01601 [0,1,0,0,0,0|1,0,1]=3 6 B9R1.69 CC1=NC(C)=C(C)N=C1 YMDB01442 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.4 C\C=C\C=C\C(=O)O YMDB01784 [0,0,1,0,0,0|1,0,0]=2 8 B7R1.4 CC1=C(S)C=CO1 YMDB01443 [0,0,0,0,1,0|1,1,0]=3 9 B7R1.4 CC1=C(S)C=CS1 YMDB01502 [0,0,0,0,1,0|1,1,0]=3 10 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,0,1,0,0,0|0,0,1]=3 11 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [1,1,0,0,0,0|0,0,1]=3 12 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [1,1,0,0,0,0|0,0,0]=2 13 B8R1.3 CC1=CN=C(C)C=N1 YMDB01598 [1,1,0,0,0,0|2,0,0]=4 14 B8R1.3 O=C1C=CC(=O)C=C1 YMDB00155 [1,1,0,0,0,0|0,0,1]=3 15 B8R1.5 CC1=CC=CC=C1O YMDB01457 [1,1,0,0,0,0|0,0,0]=2 16 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,0,1,0|1,0,1]=4 17 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [0,1,0,0,1,0|1,0,1]=4 18 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,1,0,0,1,0|1,1,0]=4 19 B8R1.11 CSC1=C(C)OC=C1 YMDB01452 [0,1,0,0,1,0|1,1,0]=4 20 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,2,0,0,0,0|1,0,1]=4 21 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,0,1,1,0,0|1,1,0]=4 22 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,0,1,0|1,0,0]=3 23 B6R1.2 CC1=CSC=N1 YMDB01620 [1,0,0,0,1,0|2,0,0]=4