0  B5R0.1  C(C#N)C(=O)O CM10060 [1,0,0,0,0,0|0,0,2]=3
1  B5R0.1  CC#CC(=O)O CM10024 [1,0,0,0,0,0|0,0,2]=3
2  B5R0.2  C(CC#N)CBr CM12994 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.6  C(C[N+](=O)[O-])C(=O)O CM10288 [0,1,0,0,0,0|2,0,0]=3
4  B7R0.8  C(CN)CP(=O)(O)O CM10052 [0,1,0,0,0,0|1,0,0]=2
5  B7R1.2  C1=CC(=O)OC1O CM11011 [0,0,0,1,0,0|1,0,2]=4
6  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [0,0,0,1,0,0|1,0,1]=3
7  B7R1.3  C1COC(=O)CN1 CM10412 [0,0,0,1,0,0|2,0,0]=3
8  B7R1.3  C1COCCC1=O CM14255 [0,0,0,1,0,0|3,0,0]=4
9  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,0,0,1,0,0|3,0,0]=4
10  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,0,0,1,0,0|3,0,0]=4
11  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,0,0,1,0,0|2,0,0]=3
12  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,0,0,1,0,0|1,0,0]=2
13  B7R1.20  C1CC1CC(=O)O CM13686 [0,0,0,1,0,0|1,0,0]=2
14  B6R0.3  CCC(C(=O)N)N CM11025 [1,1,0,0,0,0|1,0,0]=3
15  B8R0.6  CCCSCC(=O)OC CM13897 [0,2,0,0,0,0|1,0,0]=3
16  B6R1.11  C1CC1C(=O)Cl CM13883 [1,0,0,1,0,0|1,0,0]=3
17  B6R1.6  C1C(CO1)CN CM14243 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.1  C1[C@@H](COC1=O)CF CM14414 [0,1,0,1,0,0|1,0,0]=3
19  B8R1.2  C1C[C@H](CNC1)CO CM11436 [0,1,0,1,0,0|1,0,1]=4
20  B8R1.23  C1C(CC1=O)C(=O)O CM10018 [0,1,0,1,0,0|1,0,1]=4
21  B8R1.23  C1C(CC1N)C(=O)O CM14276 [0,1,0,1,0,0|0,0,0]=2