0  B6R0.4  C#CCNC(N)=O CD11100 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.4  CCO\C=C\C(=O)O RH00924 [0,1,0,0,0,0|1,0,2]=4
2  B7R0.5  C=CC[C@H](N)C(=O)O MAY00253 [0,1,0,0,0,0|1,0,1]=3
3  B7R1.2  NC1=NC(=O)CS1 RH00879 [0,0,0,1,0,0|2,0,1]=4
4  B7R1.3  O=C1CCOCC1 SB01650 [0,0,0,1,0,0|3,0,0]=4
5  B7R1.18  O=C(Cl)C1CCC1 SB01065 [0,0,0,1,0,0|2,0,0]=3
6  B4R0.1  NC(=O)CS GK00437 [2,0,0,0,0,0|2,0,0]=4
7  B4R0.2  CSCCN CD06838 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.1  CCC\C(N)=N\O MO07267 [1,1,0,0,0,0|1,0,0]=3
9  B6R0.2  CC(C)CC(N)=O BTB12988 [1,1,0,0,0,0|1,0,0]=3
10  B6R0.6  NCCSCCO SB01634 [1,1,0,0,0,0|0,0,1]=3
11  B8R0.23  NC(=O)CC(N)C(=O)O SB01192 [0,2,0,0,0,0|0,0,1]=3
12  B6R1.2  O=C1CCOC1 MO08444 [1,0,0,1,0,0|2,0,0]=4
13  B6R1.11  OB(O)C1CC1 MAY00065 [1,0,0,1,0,0|1,0,1]=4
14  B8R1.51  NC1CCS(=O)(=O)C1 RJC02399 [0,1,0,1,0,0|1,0,1]=4
15  B8R1.2  O=CC1=COCCC1 KM03842 [0,1,0,1,0,0|2,0,0]=4