0  B5R0.2  C(CC#N)CBr CM12994 [0,0,0,0,0,0|2,0,2]=4
1  B6R1.2  Cc1cc[nH]n1 CM14373 [0,0,0,1,0,0|3,0,0]=4
2  B6R1.2  c1co[nH]c1=O CM10160 [0,0,0,1,0,0|2,0,0]=3
3  B6R1.2  c1conc1N CM10019 [0,0,0,1,0,0|3,0,0]=4
4  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,0]=2
5  B5R0.1  C(C#N)C(=O)O CM10060 [1,1,0,0,0,0|1,0,1]=4
6  B7R0.6  C(C[N+](=O)[O-])C(=O)O CM10288 [0,2,0,0,0,0|2,0,0]=4
7  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|1,0,1]=4
8  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|1,0,1]=4
9  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|0,0,1]=3
10  B7R1.1  c1c(nc[nH]1)C=O CM14068 [0,1,0,1,0,0|1,0,1]=4
11  B7R1.1  c1cc([nH]c1)C=O CM13861 [0,1,0,1,0,0|0,0,2]=4
12  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|1,0,0]=3
13  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,1,0,0|1,0,1]=4
14  B7R1.3  C1COCCC1=O CM14255 [0,1,0,1,0,0|0,0,2]=4
15  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,1,0,1,0,0|1,0,1]=4
16  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,1,0,0|1,0,1]=4
18  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|0,0,2]=4
19  B7R1.20  C1CC1CC(=O)O CM13686 [0,1,0,1,0,0|0,0,2]=4