0  B6R0.3  CCC(C(=O)N)N CM11025 [1,0,0,0,0,0|2,0,0]=3
1  B8R1.23  C1C(CC1=O)C(=O)O CM10018 [0,0,0,1,0,0|1,0,1]=3
2  B8R1.23  C1C(CC1N)C(=O)O CM14276 [0,0,0,1,0,0|1,0,0]=2
3  B5R0.1  C(C#N)C(=O)O CM10060 [2,0,0,0,0,0|1,0,1]=4
4  B5R0.1  CC#CC(=O)O CM10024 [2,0,0,0,0,0|0,0,2]=4
5  B5R0.1  CC(CCO)N CM14429 [2,0,0,0,0,0|2,0,0]=4
6  B5R0.5  CC(C(=O)O)F CM13749 [2,0,0,0,0,0|1,0,0]=3
7  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [1,1,0,0,0,0|1,0,0]=3
8  B7R0.6  C(C[N+](=O)[O-])C(=O)O CM10288 [1,1,0,0,0,0|2,0,0]=4
9  B7R0.8  C(CN)CP(=O)(O)O CM10052 [1,1,0,0,0,0|2,0,0]=4
10  B7R1.1  C1CCC(C1)C#N CM13026 [1,0,0,1,0,0|1,0,1]=4
11  B7R1.18  C1C(CN1)C(=O)N CM14241 [1,0,0,1,0,0|2,0,0]=4
12  B7R1.18  C1C(CN1)C(=O)N CM14242 [1,0,0,1,0,0|2,0,0]=4
13  B7R1.18  C1C(CN1)C(=O)O CM14218 [1,0,0,1,0,0|1,0,0]=3
14  B7R1.18  C1CC(C1)C(=O)O CM11089 [1,0,0,1,0,0|0,0,0]=2
15  B7R1.20  C1CC1CC(=O)O CM13686 [1,0,0,1,0,0|0,0,0]=2
16  B9R1.3  CN1CCCN(C1=O)C CM13987 [0,1,0,1,0,0|2,0,0]=4
17  B9R1.69  CC1CN(CCC1=O)C CM11117 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.82  COC(=O)C1CC(=O)C1 CM14244 [0,1,0,1,0,0|1,0,1]=4
19  B9R1.163  C[C@]1(CCCN1)C(=O)O CM14275 [0,1,0,1,0,0|0,0,0]=2