0  B9R1.69  CC1=CC(=O)C(O)=CO1 ALBB-035191 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.69  CC1=NC=C(Cl)C(O)=N1 ALBB-022976 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.69  NC1=NC=C(Cl)C=C1I ALBB-034166 [0,0,0,0,0,0|3,0,1]=4
3  B8R1.3  CC1=CN=C(N)N=C1 ALBB-017831 [1,0,0,0,0,0|2,0,1]=4
4  B8R1.3  CC1=CN=C(O)N=C1 ALBB-017833 [1,0,0,0,0,0|1,0,2]=4
5  B8R1.3  OC1=CC=C(O)N=C1 ALBB-027307 [1,0,0,0,0,0|1,0,2]=4
6  B8R1.4  OC1=NC(Cl)=CN=C1 ALBB-014867 [1,0,0,0,0,0|2,0,1]=4
7  B10R1.22  CC1=CC(C)=C(N)C(N)=C1 ALBB-019153 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.22  CC1=CC(N)=C(O)C(C)=C1 ALBB-025515 [0,1,0,0,0,0|2,0,1]=4
9  B10R1.25  CNC1=C(C)C=C(C)C=C1 ALBB-020240 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.25  NCC1=C(O)C=C(O)C=C1 ALBB-014856 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.118  CC1=CC(N)=C(O)C=C1C ALBB-027751 [0,1,0,0,0,0|2,0,0]=3
12  B10R1.118  OC1=CC(F)=C(Br)C=C1Cl ALBB-030709 [0,1,0,0,0,0|3,0,0]=4
13  B10R1.119  CC1=CC=C(N)C(N)=C1C ALBB-005871 [0,1,0,0,0,0|3,0,0]=4
14  B10R1.176  CCC1=CC(N)=C(O)C=C1 ALBB-010241 [0,1,0,0,0,0|2,0,1]=4
15  B8R1.18  CC1=NC(Br)=C(C)N1 ALBB-026663 [0,0,0,0,1,0|3,0,0]=4
16  B8R1.50  CC1=NNC(C)=C1C ALBB-004482 [0,0,0,0,1,0|3,0,0]=4
17  B8R1.50  CC1=NNC(O)=C1C ALBB-016441 [0,0,0,0,1,0|2,0,1]=4
18  B9R1.1  CC1=CC=C(CCl)C=N1 ALBB-030075 [1,1,0,0,0,0|1,0,1]=4
19  B9R1.1  CC1=CC=C(CN)C=N1 ALBB-030077 [1,1,0,0,0,0|1,0,1]=4
20  B9R1.1  CC1=CN=C(C=O)C=N1 ALBB-027969 [1,1,0,0,0,0|1,0,1]=4
21  B9R1.1  CC1=CN=C(NN)C=C1 ALBB-033437 [1,1,0,0,0,0|1,0,1]=4
22  B9R1.1  NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,1,0,0,0,0|1,0,1]=4
23  B9R1.1  NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.1  OCC1=CC=C(O)N=C1 ALBB-016810 [1,1,0,0,0,0|0,0,2]=4
25  B9R1.2  C=CC1=CC(O)=CC=C1 ALBB-026649 [1,1,0,0,0,0|1,0,1]=4
26  B9R1.3  CC1=CC=CC(N)=C1O ALBB-012993 [1,1,0,0,0,0|2,0,0]=4
27  B9R1.22  CC1=CC(CO)=C(C)O1 ALBB-016285 [0,1,0,0,1,0|2,0,0]=4
28  B9R1.27  CC1=NNC(C)=C1CO ALBB-028507 [0,1,0,0,1,0|2,0,0]=4
29  B9R1.132  CC1=CNC(C=O)=C1C ALBB-021009 [0,1,0,0,1,0|1,0,0]=3
30  B9R1.132  CC1=NNC(C=O)=C1Br ALBB-014794 [0,1,0,0,1,0|2,0,0]=4
31  B11R1.166  O=[N+]([O-])C1=C(O)C=C(O)C=C1 ALBB-013779 [0,2,0,0,0,0|2,0,0]=4
32  B11R1.278  CC1=CNC(CCl)=C(C)C1=O ALBB-005019 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.278  CC1=CNC(CN)=C(C)C1=O ALBB-005020 [0,2,0,0,0,0|2,0,0]=4
34  B9R1.35  CC1=CNC(C(=O)O)=N1 ALBB-014829 [0,0,1,1,0,0|2,0,0]=4
35  B7R1.2  CC1=CC=C(N)S1 ALBB-009273 [1,0,0,0,1,0|2,0,0]=4
36  B7R1.2  CC1=NOC(=O)N1 ALBB-032735 [1,0,0,0,1,0|2,0,0]=4
37  B7R1.4  CC1=CNNC1=O ALBB-030475 [1,0,0,0,1,0|1,0,1]=4