0  B9R1.35  NC(=O)C1=CC(Br)=CS1 ALBB-012020 [0,0,0,0,0,0|4,0,0]=4
1  B9R1.35  NC1=NC=C(C(=O)O)S1 ALBB-022659 [0,0,0,0,0,0|3,0,1]=4
2  B9R1.35  NC1=NN=C(C(=O)O)O1 ALBB-018080 [0,0,0,0,0,0|2,0,1]=3
3  B9R1.35  O=[N+]([O-])C1=NNC(Br)=N1 ALBB-009784 [0,0,0,0,0,0|3,0,1]=4
4  B8R1.1  CC1=CN=C(CO)S1 ALBB-026952 [1,0,0,0,0,0|2,0,1]=4
5  B8R1.1  NC1=NC(CO)=NN1 ALBB-005626 [1,0,0,0,0,0|2,0,1]=4
6  B8R1.7  NC(=O)C1=CC=CS1 ALBB-019885 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.14  COC(=O)C1=CC(N)=CS1 ALBB-028479 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.58  CC1=NC(C(=O)O)=NN1C ALBB-033750 [0,1,0,0,0,0|1,0,0]=2
9  B10R1.58  CN1N=C(C(=O)O)N=C1O ALBB-032255 [0,1,0,0,0,0|2,0,0]=3
10  B10R1.59  CC1=C(C(=O)O)SC(=O)N1 ALBB-027618 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.194  CC1=CN=C(C(=O)O)N1C ALBB-032109 [0,1,0,0,0,0|2,0,0]=3
12  B10R1.194  NC1=C(Cl)C(C(=O)O)=NN1 ALBB-013988 [0,1,0,0,0,0|1,0,0]=2
13  B7R1.1  N#CC1=NNC=C1 ALBB-029030 [2,0,0,0,0,0|1,0,1]=4
14  B7R1.1  O=CC1=CSC=N1 ALBB-004689 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.11  COC(=O)C1=NOC=N1 ALBB-027960 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.166  OC(=O)C1=C(O)N=C(C)C=C1 ALBB-021331 [0,1,0,0,0,1|1,0,1]=4
17  B11R1.74  N=C1NC(=O)C=C(C(=O)O)S1 ALBB-020298 [0,1,0,0,0,1|2,0,0]=4
18  B11R1.175  CC(C)C1=CC(C(=O)O)=NO1 ALBB-009770 [0,2,0,0,0,0|1,0,0]=3
19  B11R1.175  CC(C)C1=NOC(C(=O)O)=C1 ALBB-000261 [0,2,0,0,0,0|1,0,1]=4
20  B9R1.13  O=C(O)CC1=CC=CN1 ALBB-026954 [1,0,0,0,0,1|1,0,1]=4