0  B5R0.2  C#CCCCCl R0014C [1,0,0,0,0,0|2,0,1]=4
1  B5R0.2  C#CCCCO R0018S [1,0,0,0,0,0|1,0,2]=4
2  B5R0.2  CCCCC#C R0019A [1,0,0,0,0,0|2,0,1]=4
3  B5R0.2  COCCCO R0012O [1,0,0,0,0,0|2,0,1]=4
4  B5R0.2  COCCCO R0013A [1,0,0,0,0,0|2,0,1]=4
5  B7R0.2  COC(=O)CC(=O)O R000TK [0,1,0,0,0,0|2,0,1]=4
6  B7R0.2  COC(=O)CC(=O)O R000WK [0,1,0,0,0,0|2,0,1]=4
7  B7R0.3  CCC#CC(=O)OC R0015I [0,1,0,0,0,0|1,0,2]=4
8  B7R0.3  COC(=O)CCC=O R0013M [0,1,0,0,0,0|1,0,1]=3
9  B7R1.3  CC1CCCNC1 R00164 [0,0,0,1,0,0|2,0,1]=4
10  B4R0.1  CC(=O)NC R000SZ [2,0,0,0,0,0|2,0,0]=4
11  B4R0.2  C=CCCBr R0018Q [2,0,0,0,0,0|1,0,1]=4
12  B6R0.1  CC#CC(=O)OC R0015G [1,1,0,0,0,0|0,0,2]=4
13  B6R0.3  CC(C(=O)O)NC R000ZY [1,1,0,0,0,0|1,0,0]=3
14  B6R0.3  CCN(C)C(=O)Cl R000ZP [1,1,0,0,0,0|2,0,0]=4
15  B6R0.3  C[C@@H](C(=O)O)NC R00100 [1,1,0,0,0,0|1,0,0]=3
16  B6R0.3  C[C@H](C(=O)O)NC R000ZZ [1,1,0,0,0,0|1,0,0]=3
17  B6R0.6  CCCCON=O R000TD [1,1,0,0,0,0|2,0,0]=4
18  B8R0.5  CCOC(=O)CC(=O)O R000TM [0,2,0,0,0,0|1,0,1]=4
19  B8R0.8  CCCC[C@H](C(=O)O)N R00105 [0,2,0,0,0,0|1,0,0]=3
20  B8R0.9  COC(=O)CCC(=O)O R000ZG [0,2,0,0,0,0|1,0,1]=4
21  B8R0.29  CC(C)(C)NCC(=O)O R000WH [0,2,0,0,0,0|2,0,0]=4
22  B6R1.11  B(C1CC1)(O)O R00110 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.2  C1CC(CNC1)CO R000YM [0,1,0,1,0,0|1,0,1]=4
24  B8R1.3  C1CC(=O)CCC1N R0013L [0,1,0,1,0,0|1,0,0]=3
25  B8R1.3  C1CC(CCC1N)O R0019T [0,1,0,1,0,0|1,0,1]=4
26  B8R1.22  C1CCCC(=O)CC1 R000SI [0,1,0,1,0,0|2,0,0]=4
27  B8R1.7  C1C[C@@H](NC1)C(=O)O R00104 [0,1,0,1,0,0|0,0,0]=2
28  B8R1.7  C1C[C@H](NC1)C(=O)N R000UN [0,1,0,1,0,0|1,0,0]=3
29  B8R1.72  C1CCS(=O)(=O)OC1 R0010M [0,1,0,1,0,0|2,0,0]=4