0  B6R0.3  CCC(C(=O)N)N CM11025 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.1  C(C#N)C(=O)O CM10060 [1,0,0,0,0,0|1,0,1]=3
2  B5R0.1  CC#CC(=O)O CM10024 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  CC(CCO)N CM14429 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.5  CC(C(=O)O)F CM13749 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [0,1,0,0,0,0|0,1,0]=2
6  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,0,0,1,0,0|3,0,0]=4
7  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,0,0,1,0,0|2,0,0]=3
9  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,0,0,1,0,0|2,0,0]=3
10  B4R0.1  C[C@@H](CN)N CM14368 [2,0,0,0,0,0|1,0,1]=4
11  B4R0.1  C[C@H](CN)N CM14342 [2,0,0,0,0,0|1,0,1]=4
12  B8R0.27  CC(C)(C)[C@@H](C(=O)O)N CM11023 [0,2,0,0,0,0|1,0,0]=3
13  B6R1.11  C1CC1C(=O)Cl CM13883 [1,0,0,1,0,0|2,0,0]=4
14  B6R1.6  C1C(CO1)CO CM14247 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.1  C1[C@@H](COC1=O)CF CM14414 [0,0,0,1,0,1|2,0,0]=4
16  B8R1.23  C1C(CC1=O)C(=O)O CM10018 [0,1,0,1,0,0|1,0,1]=4
17  B8R1.23  C1C(CC1N)C(=O)O CM14276 [0,1,0,1,0,0|2,0,0]=4