0  B8R1.7  c1c(nc[nH]1)C(=O)O CM14067 [1,0,0,0,0,0|2,1,0]=4
1  B8R1.7  c1cn[nH]c1C(=O)O CM11038 [1,0,0,0,0,0|2,1,0]=4
2  B10R1.11  CCOC(=O)c1c[nH]cn1 CM14066 [0,1,0,0,0,0|2,1,0]=4
3  B10R1.11  CCOC(=O)c1ccco1 CM10969 [0,1,0,0,0,0|0,1,0]=2
4  B10R1.14  COC(=O)c1cc(sc1)Br CM10537 [0,1,0,0,0,0|2,1,0]=4
5  B10R1.15  COC(=O)c1cccnc1 CM10959 [0,0,0,0,0,1|1,1,0]=3
6  B10R1.15  c1ccc(cc1)C(=O)CF CM11196 [0,0,0,0,0,1|3,0,0]=4
7  B7R1.1  c1c(nc[nH]1)C=O CM14068 [2,0,0,0,0,0|2,0,0]=4
8  B7R1.1  c1cc([nH]c1)C=O CM13861 [2,0,0,0,0,0|1,0,0]=3
9  B11R1.16  CCOC(=O)c1cccnc1 CM10029 [0,1,0,0,0,1|1,1,0]=4
10  B11R1.22  COC(=O)c1ccc(cc1)N CM12345 [0,1,0,0,0,1|1,1,0]=4
11  B11R1.22  COC(=O)c1cnc(cn1)O CM14417 [0,1,0,0,0,1|1,1,0]=4
12  B11R1.23  CCC(=O)c1cccc(c1)N CM11248 [0,1,0,0,0,1|2,0,0]=4
13  B11R1.23  COC(=O)c1cccc(c1)I CM12817 [0,1,0,0,0,1|1,1,0]=4
14  B11R1.23  COC(=O)c1cccc(c1)N CM12344 [0,1,0,0,0,1|1,1,0]=4
15  B11R1.23  COC(=O)c1cccc(c1)O CM12802 [0,1,0,0,0,1|1,1,0]=4
16  B11R1.23  COC(=O)c1cncc(n1)Br CM10424 [0,1,0,0,0,1|1,1,0]=4
17  B11R1.23  COC(=O)c1cncc(n1)Cl CM10425 [0,1,0,0,0,1|1,1,0]=4
18  B11R1.15  CCOC(=O)c1ccc([nH]1)Br CM10423 [0,2,0,0,0,0|1,1,0]=4
19  B11R1.44  COC(=O)c1ccc(o1)CCl CM13911 [0,2,0,0,0,0|0,1,0]=3
20  B9R1.3  Cc1cccc(c1F)O CM11757 [0,0,1,1,0,0|2,0,0]=4
21  B9R1.3  Cc1cccc(c1I)O CM10210 [0,0,1,1,0,0|2,0,0]=4
22  B9R1.3  Cc1cccc(c1N)O CM11590 [0,0,1,1,0,0|2,0,0]=4
23  B9R1.3  Cn1cccc(c1=O)Br CM10262 [0,0,1,1,0,0|2,0,0]=4
24  B9R1.15  CSc1ccccc1I CM11822 [0,0,1,1,0,0|2,0,0]=4
25  B9R1.2  CNc1cccc(c1)O CM10115 [0,0,1,1,0,0|2,0,0]=4
26  B9R1.2  CSc1cccc(n1)Br CM10114 [0,0,1,1,0,0|2,0,0]=4
27  B11R2.1  c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,1|2,0,0]=4
28  B9R1.6  c1cncnc1C(=O)O CM10263 [1,0,0,0,0,1|1,1,0]=4