0  B5R0.1  C(C#N)C(=O)O CM10060 [1,0,0,0,0,0|2,0,1]=4
1  B5R0.1  CC#CC(=O)O CM10024 [1,0,0,0,0,0|1,0,2]=4
2  B5R0.1  CC(CCO)N CM14429 [1,0,0,0,0,0|1,0,2]=4
3  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [0,0,0,1,0,0|1,0,2]=4
4  B7R1.20  C1CC1CC(=O)O CM13686 [0,0,0,1,0,0|1,0,0]=2
5  B5R0.5  CC(C(=O)O)F CM13749 [0,0,0,0,1,0|2,0,0]=3
6  B7R0.6  CC(C)CO[N+](=O)[O-] CM13895 [0,0,0,0,0,1|2,0,0]=3
7  B4R0.1  CC=C(C)Br CM14455 [2,0,0,0,0,0|1,0,1]=4
8  B4R0.1  C[C@@H](CN)N CM14368 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.1  C[C@H](CN)N CM14342 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.3  CCC(C(=O)N)N CM11025 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.4  CC(=O)C=COC CM11079 [1,1,0,0,0,0|0,0,2]=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  B6R1.2  C1C=CCC1O CM14094 [1,0,0,1,0,0|1,0,1]=4
14  B6R1.2  C1COCC1Br CM10289 [1,0,0,1,0,0|2,0,0]=4
15  B6R1.3  C1CC1CC#N CM13687 [1,0,0,1,0,0|1,0,1]=4
16  B6R1.3  C1CC1CCO CM13498 [1,0,0,1,0,0|0,0,2]=4
17  B6R1.11  C1CC1C(=O)Cl CM13883 [1,0,0,1,0,0|1,0,0]=3
18  B8R1.23  C1C(CC1N)C(=O)O CM14276 [0,0,0,1,0,1|2,0,0]=4
19  B8R1.1  C1[C@@H](COC1=O)CF CM14414 [0,1,0,1,0,0|1,0,0]=3