0  B11R1.35  CC(CN1C=CC=N1)C(=O)O BB53-0168 [0,0,0,0,0,0|3,0,1]=4
1  B11R1.35  CC(CN1C=CN=C1)C(=O)O BB52-9189 [0,0,0,0,0,0|3,0,0]=3
2  B11R1.35  CC(CN1C=NC=N1)C(=O)O BB53-0450 [0,0,0,0,0,0|2,0,1]=3
3  B11R1.35  N[C@@H](CC1=CSC=C1)C(=O)O BB32-1298 [0,0,0,0,0,0|2,0,0]=2
4  B10R1.66  O=C(O)CCC1=CC=CN1 BB32-1801 [1,0,0,0,0,0|1,0,0]=2
5  B10R1.66  O=C(O)CCC1=CNC=N1 BB31-7932 [1,0,0,0,0,0|0,0,2]=3
6  B10R1.66  O=C(O)CCC1=NC=CN1 BB31-3671 [1,0,0,0,0,0|2,0,0]=3
7  B10R1.66  O=C(O)CCC1=NC=CS1 BB31-2782 [1,0,0,0,0,0|2,0,1]=4
8  B10R1.66  O=C(O)CCN1C=NC=N1 BB53-0845 [1,0,0,0,0,0|1,0,1]=3
9  B12R2.252  O=C(O)C1CC2=NC=CN2C1 BB32-0750 [0,0,0,1,0,0|3,0,0]=4
10  B10R1.23  N[C@H](C(=O)O)C1=CSC=C1 BB31-0809 [0,0,0,0,1,0|2,0,0]=3
11  B12R1.43  O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,0,0,0,0,1|3,0,0]=4
12  B9R0.47  C=CCCC[C@@H](N)C(=O)O BB31-8480 [1,0,1,0,0,0|1,0,1]=4
13  B11R1.75  NC1=NN(CCC(=O)O)C=N1 BB05-4166 [1,1,0,0,0,0|1,0,1]=4
14  B11R1.75  O=C(O)CCC1=CC(O)=NO1 BB52-3917 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.77  CC(CC(=O)O)N1C=NC=N1 BB52-9616 [1,1,0,0,0,0|1,0,1]=4
16  B11R1.173  CC(N)(C(=O)O)C1=CC=CS1 BB52-8151 [0,1,0,0,1,0|2,0,0]=4
17  B13R1.148  N[C@@H](CC1=CC=CC(I)=C1)C(=O)O BB31-4114 [0,1,0,0,0,1|2,0,0]=4
18  B13R1.418  NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,1,0,0,0,1|2,0,0]=4
19  B13R1.3571  CN(C)[C@@H](CC1=CNC=N1)C(=O)O BB31-4312 [0,2,0,0,0,0|0,0,2]=4
20  B13R2.430  O=C(O)C1CCC2=NN=CN2C1 BB52-8444 [0,0,0,1,0,1|2,0,0]=4
21  B11R1.91  NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,0,1|2,0,0]=4
22  B11R1.91  O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,1|1,0,0]=3
23  B11R1.91  O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,1|1,0,1]=4
24  B11R1.91  O=C(O)COC1=CN=CC=C1 BB31-6546 [1,0,0,0,0,1|2,0,0]=4
25  B11R1.172  O=C(O)CNCC1=CC=CO1 BB52-9976 [1,0,0,0,0,1|2,0,0]=4
26  B13R1.348  N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,0,0,0,0,2|2,0,0]=4