0  B11R1.16  CC(CNC)c1ccccc1 18563 [1,0,0,0,0,0|2,0,0]=3
1  B11R1.91  CC(=N)NCc1ccccc1 13570 [1,0,0,0,0,0|2,0,0]=3
2  B13R1.713  c1ccc(cc1)C(CC(=O)O)CN 9002652 [0,1,0,0,0,0|2,0,0]=3
3  B11R1.36  CC(c1ncccn1)C(=O)O 10007108 [0,0,0,0,1,0|3,0,0]=4
4  B11R1.36  C[C@@H]([C@H](c1ccccc1)O)N 13868 [0,0,0,0,1,0|2,0,1]=4
5  B11R1.36  C[C@H]([C@@H](c1ccccc1)O)N 15975 [0,0,0,0,1,0|2,0,1]=4
6  B11R1.36  C[C@H]([C@H](c1ccccc1)O)N 14212 [0,0,0,0,1,0|2,0,1]=4
7  B11R1.36  c1ccc(cc1)[C@H](C(=O)O)O 10007128 [0,0,0,0,1,0|2,0,0]=3
8  B10R1.15  CC(CN)c1ccccc1 17742 [2,0,0,0,0,0|1,0,1]=4
9  B12R1.43  c1ccc(cc1)CC(C(=O)O)S 17261 [1,1,0,0,0,0|2,0,0]=4
10  B12R1.20  CC(=O)C(c1ccc(cc1)F)N 9001146 [0,1,0,0,1,0|1,0,0]=3
11  B12R1.124  CC(=O)C(c1ccccc1F)N 11607 [0,1,0,0,1,0|1,0,0]=3
12  B12R1.478  CC(=O)C(C#N)c1ccccc1 21105 [0,1,0,0,1,0|0,0,1]=3
13  B14R1.160  CC(=O)ONC(=O)c1ccccc1O 70263 [0,1,0,0,0,1|1,0,1]=4
14  B14R1.743  CC(Cc1ccccc1)NC(=O)OC 9002843 [0,1,0,0,0,1|1,0,0]=3
15  B14R1.1019  c1cc(ccc1C(CC(=O)O)CN)Cl 18600 [0,2,0,0,0,0|2,0,0]=4
16  B14R1.1019  c1cc(ccc1C(CC(=O)O)CO)Cl 21483 [0,2,0,0,0,0|2,0,0]=4
17  B14R2.4514  CN1[C@@H](CCC1=O)c2cccnc2 15314 [0,1,0,1,0,0|2,0,0]=4
18  B10R1.18  CC(=O)Cc1ccccc1 16103 [1,0,0,0,1,0|0,0,0]=2
19  B10R1.18  CC(=O)Cc1ccccc1 16444 [1,0,0,0,1,0|0,0,0]=2
20  B10R1.18  C[C@@H](Cc1ccccc1)N 14204 [1,0,0,0,1,0|1,0,1]=4
21  B10R1.18  C[C@@H](Cc1ccccc1)N 15650 [1,0,0,0,1,0|1,0,1]=4
22  B10R1.18  c1ccc(cc1)CC(=O)O 18709 [1,0,0,0,1,0|1,0,0]=3
23  B12R1.32  CC(Cc1ccccc1)NC=O 18597 [1,0,0,0,0,1|1,0,0]=3
24  B12R1.32  CCNC(C)Cc1ccccc1 11557 [1,0,0,0,0,1|1,0,1]=4
25  B12R1.32  CCNC(C)Cc1ccccc1 15658 [1,0,0,0,0,1|1,0,1]=4
26  B12R1.252  c1ccc(cc1)CCCC(=O)[O-] 11323 [1,0,0,0,0,1|2,0,0]=4