0  B10R1.61  NC1=C([N+](=O)[O-])C=NC=C1 ALBB-019235 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.53  COC1=CC=CC=C1C(C)N ALBB-027088 [0,1,0,0,0,0|1,0,1]=3
2  B11R1.53  CSC1=C(C(=O)Cl)C=CC=N1 ALBB-021224 [0,1,0,0,0,0|2,1,0]=4
3  B11R1.53  CSC1=C(C(=O)O)C=CC=N1 ALBB-021279 [0,1,0,0,0,0|2,1,0]=4
4  B11R1.159  NC1=NC=CC(C(=O)O)=C1N ALBB-033769 [0,1,0,0,0,0|3,0,0]=4
5  B11R1.166  CC1=NC(O)=CC=C1C(=O)O ALBB-032771 [0,1,0,0,0,0|3,0,0]=4
6  B11R1.166  OC(=O)C1=C(O)N=C(C)C=C1 ALBB-021331 [0,1,0,0,0,0|2,0,0]=3
7  B11R1.167  CC(=O)C1=CC(O)=CC=C1O ALBB-019961 [0,1,0,0,0,0|1,0,0]=2
8  B11R1.167  O=[N+]([O-])C1=CC(Br)=CN=C1O ALBB-019922 [0,1,0,0,0,0|3,0,0]=4
9  B11R1.222  CCC(N)C1=CC=CC=C1C ALBB-027098 [0,1,0,0,0,0|2,0,1]=4
10  B10R1.4  C=CCC1=C(O)C=CC=C1 ALBB-020392 [1,1,0,0,0,0|1,0,0]=3
11  B10R1.4  NNCC1=C(F)C=CC=C1 ALBB-022654 [1,1,0,0,0,0|1,0,1]=4
12  B10R1.25  NNC1=CC=C(F)C=C1Cl ALBB-005924 [1,1,0,0,0,0|2,0,0]=4
13  B10R1.245  CSC1=C(C)C=CC=C1O ALBB-024402 [1,1,0,0,0,0|2,0,0]=4
14  B12R1.233  CC(=O)NC1=C(Br)C=C(Cl)C=C1 ALBB-012013 [0,1,0,0,0,1|2,0,0]=4
15  B12R1.233  CC(=O)NC1=C(N)C=C(Br)C=C1 ALBB-017768 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.371  NNC(=O)CC1=CC=CC=C1F ALBB-020999 [0,1,0,0,0,1|1,0,0]=3
17  B12R1.371  O=C(CS)NC1=C(F)C=CC=C1 ALBB-017015 [0,1,0,0,0,1|2,0,0]=4
18  B12R1.77  CCC(=O)C1=CC=CC=C1OC ALBB-019343 [0,2,0,0,0,0|1,0,0]=3
19  B12R1.87  COC1=C([N+](=O)[O-])C=CC=C1Cl ALBB-023336 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.261  CC(=O)C1=CC=CC=C1B(O)O ALBB-019202 [0,2,0,0,0,0|1,0,0]=3
21  B12R1.283  CNCC1=C(C(=O)O)C=CC=C1 ALBB-018335 [0,2,0,0,0,0|2,0,0]=4
22  B12R1.283  N#CCC1=CC=CC=C1C(=O)O ALBB-024813 [0,2,0,0,0,0|2,0,0]=4
23  B12R1.894  O=C(O)C1=C(Cl)C=CC(Cl)=C1Cl ALBB-025051 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.1000  CC(=O)C1=C(O)C=C(C)OC1=O ALBB-021316 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.24  NNC(=O)C1=CC=CC(Cl)=C1F ALBB-029097 [0,2,0,0,0,0|1,0,0]=3
26  B12R1.511  NC(=O)C1=C(Cl)C(Br)=CC(Br)=C1 ALBB-012982 [0,2,0,0,0,0|1,0,0]=3
27  B12R1.1703  CC1=CC(C)=C(C(=O)CBr)C=C1 ALBB-020927 [0,2,0,0,0,0|2,0,0]=4
28  B12R1.354  CC1=CC(C(=O)CBr)=C(C)C=C1 ALBB-020928 [0,2,0,0,0,0|2,0,0]=4
29  B12R1.354  CNC(=O)C1=CC(Br)=CC=C1Cl ALBB-012018 [0,2,0,0,0,0|1,0,0]=3
30  B12R1.308  CCNC(=O)C1=CC=CN=C1Cl ALBB-003570 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.66  O=C(Cl)\C=C\C1=CC=CO1 ALBB-011740 [0,0,1,1,0,0|1,0,0]=3
32  B12R2.2028  N=C1NC(=O)C2=CC=CC=C12 ALBB-032711 [0,1,0,1,0,0|1,0,0]=3
33  B12R2.1  O=CC1=COC2=CC=CC=C12 ALBB-018336 [0,1,0,1,0,0|1,0,0]=3
34  B8R1.7  NC(=O)C1=CC=CS1 ALBB-019885 [1,0,0,0,1,0|1,0,0]=3
35  B12R1.125  O=C(Cl)\C=C\C1=CC=CC=C1Cl ALBB-011742 [0,0,0,0,0,2|2,0,0]=4