0  B9R1.35  CC(=O)C1=CSC(N)=N1 ALBB-023268 [0,0,0,0,0,0|4,0,0]=4
1  B9R1.35  CC(N)C1=CC=C(Br)S1 ALBB-000030 [0,0,0,0,0,0|2,1,1]=4
2  B9R1.35  NC(=O)C1=CC(Br)=CS1 ALBB-012020 [0,0,0,0,0,0|3,1,0]=4
3  B9R1.35  NC(=O)C1=NC(Cl)=NN1 ALBB-014174 [0,0,0,0,0,0|4,0,0]=4
4  B9R1.35  NC1=NC=C(C(=O)O)S1 ALBB-022659 [0,0,0,0,0,0|2,0,0]=2
5  B9R1.35  NC1=NN=C(C(=O)O)O1 ALBB-018080 [0,0,0,0,0,0|3,1,0]=4
6  B9R1.35  O=C(Cl)C1=CC=C(Br)S1 ALBB-011189 [0,0,0,0,0,0|1,1,0]=2
7  B8R1.1  CC1=CN=C(CO)S1 ALBB-026952 [1,0,0,0,0,0|2,0,1]=4
8  B8R1.1  NC1=NC=C(CO)S1 ALBB-022646 [1,0,0,0,0,0|2,0,1]=4
9  B8R1.7  NC(=O)C1=CC=CS1 ALBB-019885 [1,0,0,0,0,0|1,0,0]=2
10  B10R1.14  CCC(=O)C1=CC=C(Br)S1 ALBB-002876 [0,1,0,0,0,0|1,1,0]=3
11  B10R1.14  COC(=O)C1=CC(N)=CS1 ALBB-028479 [0,1,0,0,0,0|3,0,0]=4
12  B10R1.59  CC1=C(C(=O)O)SC(=O)N1 ALBB-027618 [0,1,0,0,0,0|2,0,0]=3
13  B10R1.194  CC1=CN=C(C(=O)O)N1C ALBB-032109 [0,1,0,0,0,0|3,0,0]=4
14  B10R1.54  NC1=NC(CC(=O)O)=CS1 ALBB-021297 [0,0,0,0,0,1|3,0,0]=4
15  B7R1.1  O=CC1=CSC=N1 ALBB-004689 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.21  CCC1=CC=C(C=O)O1 ALBB-021332 [1,1,0,0,0,0|1,1,0]=4
17  B9R1.21  COC1=NC=C(C=O)S1 ALBB-015271 [1,1,0,0,0,0|2,0,0]=4
18  B9R1.11  CNC(=O)C1=CC=CN1 ALBB-034604 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.11  C\C(=N\O)C1=CC=CO1 ALBB-021404 [1,1,0,0,0,0|1,1,0]=4
20  B9R1.11  C\C(=N\O)C1=CC=CS1 ALBB-021403 [1,1,0,0,0,0|1,0,0]=3
21  B11R1.3  NC(=O)C1=CC=C(CCl)C=C1 ALBB-012285 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.166  CC1=NC(O)=CC=C1C(=O)O ALBB-032771 [0,1,0,0,0,1|2,0,0]=4
23  B11R1.166  OC(=O)C1=C(O)N=C(C)C=C1 ALBB-021331 [0,1,0,0,0,1|2,0,0]=4
24  B11R1.74  N=C1NC(=O)C=C(C(=O)O)S1 ALBB-020298 [0,1,0,0,0,1|1,0,0]=3
25  B11R1.74  NC1=CC(N)=CC(C(=O)O)=C1 ALBB-020012 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.159  NC1=NC=CC(C(=O)O)=C1N ALBB-033769 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.15  CCOC(=O)C1=CN=C(N)S1 ALBB-012518 [0,2,0,0,0,0|2,0,0]=4
28  B11R1.48  CCC1=C(Br)C=C(C(=O)Cl)S1 ALBB-011327 [0,2,0,0,0,0|2,0,0]=4
29  B9R1.13  O=C(O)CC1=CC=CN1 ALBB-026954 [1,0,0,0,0,1|1,0,0]=3