0  B8R1.7  B(c1cccs1)(O)O CM13586 [0,0,0,0,0,0|3,0,1]=4
1  B8R1.7  c1c(nc[nH]1)C(=O)O CM14067 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.7  c1cn[nH]c1C(=O)O CM11038 [0,0,0,0,0,0|3,0,1]=4
3  B7R1.1  c1c(nc[nH]1)C=O CM14068 [1,0,0,0,0,0|2,0,0]=3
4  B7R1.1  c1cc([nH]c1)C=O CM13861 [1,0,0,0,0,0|1,0,1]=3
5  B9R1.35  Cn1cc(nc1)C(=O)O CM14072 [0,1,0,0,0,0|3,0,0]=4
6  B9R1.6  c1ccnc(c1)C(=N)N CM13839 [0,0,0,0,0,1|3,0,0]=4
7  B9R1.6  c1cncnc1C(=O)O CM10263 [0,0,0,0,0,1|2,0,0]=3
8  B6R0.4  CC(=O)C=COC CM11079 [1,0,1,0,0,0|2,0,0]=4
9  B6R1.2  Cc1cc[nH]n1 CM14373 [2,0,0,0,0,0|2,0,0]=4
10  B10R1.13  CC(=O)c1ccc(cc1)Cl CM11155 [0,1,0,0,0,1|2,0,0]=4
11  B10R1.13  CC(=O)c1ccc(cc1)F CM11198 [0,1,0,0,0,1|2,0,0]=4
12  B10R1.13  CC(=O)c1ccc(cc1)I CM11220 [0,1,0,0,0,1|2,0,0]=4
13  B10R1.13  CC(=O)c1ccc(nc1)Cl CM11170 [0,1,0,0,0,1|1,0,0]=3
14  B10R1.13  Cc1ccc(cc1)C(=O)C CM10006 [0,1,0,0,0,1|2,0,0]=4
15  B10R1.13  c1c(cnc(n1)C(=O)O)Br CM14286 [0,1,0,0,0,1|2,0,0]=4
16  B10R1.13  c1c(cnc(n1)C(=O)O)Cl CM14287 [0,1,0,0,0,1|2,0,0]=4
17  B10R1.13  c1cc(ncc1C(=O)O)N CM10961 [0,1,0,0,0,1|2,0,0]=4
18  B10R1.13  c1cc(ncc1F)C(=O)O CM14030 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.13  c1cc(ncc1I)C(=O)O CM10490 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.15  COC(=O)c1cccnc1 CM10959 [0,1,0,0,0,1|1,0,0]=3
21  B10R1.15  c1ccc(cc1)C(=O)CF CM11196 [0,1,0,0,0,1|2,0,0]=4
22  B10R1.61  CC(=O)c1ccccc1Br CM11134 [0,1,0,0,0,1|2,0,0]=4
23  B10R1.61  CC(=O)c1ccccc1I CM11218 [0,1,0,0,0,1|2,0,0]=4
24  B10R1.61  c1cncc(c1Br)C(=O)O CM14036 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.113  CC(=O)c1cc(ccn1)Cl CM10835 [0,1,0,0,0,1|1,0,0]=3
26  B10R1.113  CC(=O)c1cccc(c1)F CM11197 [0,1,0,0,0,1|2,0,0]=4
27  B10R1.113  CC(=O)c1cccc(c1)I CM11219 [0,1,0,0,0,1|2,0,0]=4
28  B10R1.113  Cc1cccc(c1)C(=O)C CM11223 [0,1,0,0,0,1|2,0,0]=4
29  B10R1.113  Cc1cncc(n1)C(=O)O CM14090 [0,1,0,0,0,1|2,0,0]=4
30  B10R1.113  c1c(cncc1Br)C(=O)O CM14037 [0,1,0,0,0,1|2,0,0]=4
31  B10R1.113  c1c(nc(cn1)Br)C(=O)O CM10659 [0,1,0,0,0,1|2,0,0]=4
32  B10R1.113  c1c(nc(cn1)Cl)C(=O)O CM10658 [0,1,0,0,0,1|2,0,0]=4
33  B10R1.113  c1cc(nc(c1)Cl)C(=O)O CM10033 [0,1,0,0,0,1|2,0,0]=4
34  B10R1.113  c1cnc(cc1I)C(=O)O CM10569 [0,1,0,0,0,1|2,0,0]=4
35  B10R1.113  c1cnc(nc1C(=O)O)N CM14051 [0,1,0,0,0,1|2,0,0]=4
36  B10R1.11  CCOC(=O)c1c[nH]cn1 CM14066 [0,2,0,0,0,0|2,0,0]=4
37  B10R1.11  CCOC(=O)c1ccco1 CM10969 [0,2,0,0,0,0|1,1,0]=4
38  B8R1.5  Cc1cccnc1Cl CM13849 [0,0,1,1,0,0|2,0,0]=4
39  B8R1.2  COc1cccnc1 CM10357 [1,0,0,0,0,1|2,0,0]=4