0  B11R1.3  CC(=O)C1=CC=C(CN)C=C1 ALBB-013748 [0,0,0,0,0,0|2,0,2]=4
1  B11R1.3  CN(C)C1=NC=C(CO)C=C1 ALBB-022802 [0,0,0,0,0,0|2,0,2]=4
2  B11R1.3  CN(C)C1=NC=C(CO)C=C1 ALBB-022802 [0,0,0,0,0,0|2,0,2]=4
3  B10R1.13  CC(C)C1=CN=C(Cl)N=C1 ALBB-018585 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.13  CC(C)C1=CN=C(O)N=C1 ALBB-018586 [1,0,0,0,0,0|2,0,1]=4
5  B12R1.5  CNC(=O)C1=CC=C(C=O)C=C1 ALBB-033068 [0,1,0,0,0,0|1,0,1]=3
6  B12R1.6  NS(=O)(=O)C1=CC=C(C=O)C=C1 ALBB-010053 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.113  CN(C)C1=CC=C(CCN)C=C1 ALBB-019156 [0,1,0,0,0,0|2,0,1]=4
8  B12R1.113  CN(C)C1=CC=C(CCN)C=C1 ALBB-019156 [0,1,0,0,0,0|2,0,1]=4
9  B12R1.256  CN(C)C1=NC=C(C(=O)O)C=C1 ALBB-013444 [0,1,0,0,0,0|2,0,0]=3
10  B12R1.452  CN(C)C1=CC=C(C=O)C=C1Br ALBB-026450 [0,1,0,0,0,0|1,0,0]=2
11  B10R1.31  CC(C)N1C=C(C=O)C=N1 ALBB-000103 [0,0,0,0,1,0|2,0,0]=3
12  B12R1.4  CN(C)CC1=CC=C(CN)C=C1 ALBB-015114 [0,0,0,0,0,1|2,0,1]=4
13  B12R1.4  CN(C)CC1=CC=C(CO)C=C1 ALBB-026958 [0,0,0,0,0,1|1,0,2]=4
14  B9R1.1  CC1=CN=C(C=O)C=N1 ALBB-027969 [2,0,0,0,0,0|2,0,0]=4
15  B11R1.22  NC(CO)C1=CC=C(F)C=C1 ALBB-013455 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.166  CN(C)C1=CC=C(Br)C=C1N ALBB-005875 [1,1,0,0,0,0|2,0,0]=4
17  B11R1.48  CC1=NN(C(C)C)C=C1C=O ALBB-013435 [0,1,0,0,1,0|2,0,0]=4
18  B11R1.175  CC(C)C1=CC(C(=O)Cl)=CS1 ALBB-011317 [0,1,0,0,1,0|1,0,0]=3
19  B11R1.175  CC(C)C1=CC(C(=O)Cl)=NO1 ALBB-010039 [0,1,0,0,1,0|2,0,0]=4
20  B11R1.175  CC(C)C1=NC(C(=O)O)=CS1 ALBB-000144 [0,1,0,0,1,0|2,0,0]=4
21  B11R1.175  CC(C)N1C=C(C(=O)O)C=N1 ALBB-014312 [0,1,0,0,1,0|2,0,0]=4
22  B11R1.175  CC(C)N1C=CC(C(=O)O)=N1 ALBB-013434 [0,1,0,0,1,0|2,0,0]=4
23  B13R1.36  CN(C)C(=O)C1=CC=C(C=O)C=C1 ALBB-033069 [0,1,0,0,0,1|1,0,0]=3
24  B13R1.39  COC(OC)C1=CC=C(CN)C=C1 ALBB-031534 [0,2,0,0,0,0|1,0,1]=4
25  B13R1.537  CCC(=O)C1=CC=C(N(C)C)C=C1 ALBB-034459 [0,2,0,0,0,0|1,0,0]=3
26  B13R1.3088  CNC(C)C1=CC(F)=C(OC)C=C1 ALBB-013112 [0,2,0,0,0,0|2,0,0]=4
27  B13R1.74  CC(C)C1=CC=C(CCCN)C=C1 ALBB-027061 [0,2,0,0,0,0|1,0,1]=4
28  B11R2.21  O=CC1=CC(C2CC2)=NN1 ALBB-014795 [0,0,0,1,1,0|2,0,0]=4
29  B13R2.2121  CC1CC2=CC(C=O)=CC=C2O1 ALBB-031781 [0,0,0,1,0,1|0,0,0]=2
30  B9R1.21  CCN1C=CC(C=O)=N1 ALBB-021539 [1,0,0,0,1,0|2,0,0]=4
31  B11R1.266  CC(C)C1=NC=CC(C=O)=N1 ALBB-027008 [0,0,0,0,1,1|1,0,0]=3