0  B5R0.1  C(C#N)C(=O)O CM10060 [0,0,0,0,0,0|0,0,2]=2
1  B5R0.1  CC#CC(=O)O CM10024 [0,0,0,0,0,0|1,0,2]=3
2  B5R0.1  CC(CCO)N CM14429 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CCC(C(=O)N)N CM11025 [0,1,0,0,0,0|2,0,0]=3
7  B6R1.11  C1CC1C(=O)Cl CM13883 [0,0,0,1,0,0|2,0,0]=3
8  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
9  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|0,1,0]=3
10  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|1,0,1]=4
11  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|0,0,0]=2
12  B5R0.2  C(C=CCCl)O CM14462 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [0,2,0,0,0,0|1,0,0]=3
14  B7R0.6  C(C[N+](=O)[O-])C(=O)O CM10288 [0,2,0,0,0,0|0,0,1]=3
15  B7R0.8  C(CN)CP(=O)(O)O CM10052 [0,2,0,0,0,0|1,0,0]=3
16  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|2,0,0]=4
17  B5R1.2  C1C(CN1)O CM14096 [1,0,0,1,0,0|1,0,1]=4
18  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|1,0,0]=3
19  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|1,0,1]=4
21  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,1,0,0|1,0,0]=3
23  B7R1.3  C1COCCC1=O CM14255 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.22  C1CC1C(=O)CBr CM11136 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.20  C1CC1CC(=O)O CM13686 [0,1,0,1,0,0|1,0,0]=3
26  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,1,0,1,0,0|1,0,0]=3
27  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,1,0,1,0,0|1,0,0]=3
28  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,1,0,0|0,0,0]=2
29  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|1,0,0]=3