0  B12R1.16  CCOC(=O)C1=NC=C(O)C=C1 ALBB-028014 [0,1,0,0,0,0|1,0,0]=2
1  B12R1.17  CCOC(=O)C1=NC=CC(O)=C1 ALBB-028015 [0,1,0,0,0,0|1,0,0]=2
2  B12R1.30  NCCNC(=O)C1=CC=CN=C1 ALBB-016292 [0,1,0,0,0,0|2,0,0]=3
3  B12R1.107  CC(C)CC(N)C1=CC=CC=C1 ALBB-027102 [0,1,0,0,0,0|2,0,1]=4
4  B12R1.308  CCOC(=N)C1=CC=CNC1=O ALBB-022912 [0,1,0,0,0,0|2,0,0]=3
5  B12R2.2  C1=CN=CC(C2=NCCO2)=C1 ALBB-033446 [0,0,0,1,0,0|2,0,0]=3
6  B10R1.11  CCOC(=O)C1=CON=C1 ALBB-016382 [0,0,0,0,1,0|2,0,0]=3
7  B9R1.6  N=C(N)C1=CC=CC=C1 ALBB-021313 [2,0,0,0,0,0|2,0,0]=4
8  B9R1.6  O=C(O)C1=CC=CN=N1 ALBB-012268 [2,0,0,0,0,0|2,0,0]=4
9  B9R1.8  CCNC1=CC=CN=C1 ALBB-028026 [2,0,0,0,0,0|2,0,0]=4
10  B11R1.22  NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [1,1,0,0,0,0|1,0,0]=3
11  B11R1.22  O=C(NO)C1=CC=C(F)C=C1 ALBB-033760 [1,1,0,0,0,0|2,0,0]=4
12  B11R1.22  O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [1,1,0,0,0,0|1,0,1]=4
13  B11R1.23  CNC(=O)C1=CC=NC(Cl)=C1 ALBB-004236 [1,1,0,0,0,0|2,0,0]=4
14  B11R1.23  CNC(=O)C1=NC(Cl)=CC=C1 ALBB-022383 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.222  CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.222  COC(=N)C1=CC=CNC1=O ALBB-010781 [1,1,0,0,0,0|2,0,0]=4
17  B11R1.222  COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [1,1,0,0,0,0|2,0,0]=4
18  B11R1.28  CCNCCC1=CC=CC=C1 ALBB-034844 [1,1,0,0,0,0|1,0,1]=4
19  B11R1.91  CC(N)COC1=CC=CC=C1 ALBB-027081 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.91  CC(N)\C=C\C1=CC=CC=C1 ALBB-017778 [1,1,0,0,0,0|1,0,0]=3
21  B11R1.15  CCOC(=O)C1=CC(C)=NO1 ALBB-014296 [0,1,0,0,1,0|2,0,0]=4
22  B11R1.15  CCOC(=O)C1=CC(N)=CS1 ALBB-034164 [0,1,0,0,1,0|1,0,0]=3
23  B11R1.15  CCOC(=O)C1=CC(N)=NN1 ALBB-010021 [0,1,0,0,1,0|2,0,0]=4
24  B11R1.15  CCOC(=O)C1=CC(N)=NN1 ALBB-010021 [0,1,0,0,1,0|2,0,0]=4
25  B11R1.199  CCOC(=O)C1=C(C)NC=C1 ALBB-018079 [0,1,0,0,1,0|1,0,0]=3
26  B11R1.199  CCOC(=O)C1=C(N)C=NN1 ALBB-003754 [0,1,0,0,1,0|2,0,0]=4
27  B11R1.199  CCOC(=O)C1=C(N)ON=C1 ALBB-005450 [0,1,0,0,1,0|2,0,0]=4
28  B13R1.20  CCOC(=O)CC1=NC(Cl)=CC=C1 ALBB-032732 [0,1,0,0,0,1|1,0,0]=3
29  B13R1.17  NC1=CC=C(C(=O)NCCO)C=C1 ALBB-010419 [0,2,0,0,0,0|1,0,0]=3
30  B13R1.147  CC(C)NC(=O)C1=CC=CC(N)=C1 ALBB-012034 [0,2,0,0,0,0|1,0,0]=3
31  B13R1.464  CCOC(=O)C1=CC=CN=C1NN ALBB-018630 [0,2,0,0,0,0|1,0,0]=3
32  B13R2.64  C1=CC=C(NC2=NCCS2)C=C1 ALBB-012870 [0,0,0,1,0,1|1,1,0]=4
33  B13R2.163  O=C1CCNC2=CC=CC=C2N1 ALBB-017852 [0,0,0,1,0,1|2,0,0]=4
34  B13R2.163  O=C1CCSC2=CC=CC=C2N1 ALBB-034370 [0,0,0,1,0,1|2,0,0]=4
35  B13R2.3  C1=CC=C(C2CNCCO2)C=C1 ALBB-015888 [0,1,0,1,0,0|1,0,1]=4
36  B13R2.3  C1=CC=C(C2CNCCO2)C=C1 ALBB-015888 [0,1,0,1,0,0|1,0,1]=4
37  B9R1.11  CCC(=O)C1=NC=CS1 ALBB-015272 [1,0,0,0,1,0|2,0,0]=4
38  B9R1.11  COC(=O)C1=CC=NO1 ALBB-027244 [1,0,0,0,1,0|2,0,0]=4
39  B9R1.11  COC(=O)C1=CNN=C1 ALBB-016380 [1,0,0,0,1,0|2,0,0]=4
40  B9R1.11  COC(=O)C1=CNN=C1 ALBB-016380 [1,0,0,0,1,0|2,0,0]=4
41  B9R1.11  NCC(=O)C1=CSC=C1 ALBB-028035 [1,0,0,0,1,0|2,0,0]=4