0  B8R1.4  C[C@@H]1CCCC(=O)O1 329497 [0,0,0,0,0,0|1,0,0]=1
1  B8R1.4  O=C1CSCC(=O)C1 093606 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.2  C=CC(C)CC(=O)O 229282 [0,0,1,0,0,0|1,0,2]=4
3  B7R0.2  CC(C)CC(=O)NN 061371 [0,0,1,0,0,0|2,0,0]=3
4  B7R0.4  CNCCCC(=O)O 242011 [0,0,1,0,0,0|2,0,0]=3
5  B7R0.7  CCOC(=O)OCC 094215 [0,0,1,0,0,0|2,0,0]=3
6  B6R0.1  CCOC(=O)OC 075947 [1,0,1,0,0,0|2,0,0]=4
7  B6R0.1  COCC(C)CN 105383 [1,0,1,0,0,0|2,0,0]=4
8  B6R0.4  CC(C)CCCBr 113000 [1,0,1,0,0,0|1,0,0]=3
9  B6R0.4  CCCCC(C)=O 098350 [1,0,1,0,0,0|0,0,0]=2
10  B8R0.23  CC(C)NC(=O)C(C)C 069270 [0,1,1,0,0,0|1,0,0]=3
11  B8R0.24  CCC(C)CS(=O)(=O)Cl 069686 [0,1,1,0,0,0|2,0,0]=4
12  B8R0.8  CCCCC(N)C(C)C 214312 [0,1,1,0,0,0|1,0,1]=4
13  B8R0.1  CCOCC(C)N=C=O 097758 [0,1,1,0,0,0|1,0,1]=4
14  B8R0.1  CC\C=C\C(=O)OCC 105274 [0,1,1,0,0,0|1,0,1]=4
15  B8R0.3  CCC(C)C(C)N=C=O 097762 [0,1,1,0,0,0|1,0,1]=4
16  B8R0.3  CCOC(=O)C(C)CCl 104850 [0,1,1,0,0,0|2,0,0]=4
17  B8R1.3  O=C1CCS(=O)CC1 094783 [1,1,0,0,0,0|1,0,0]=3
18  B8R1.11  N#CC1CCSC1=O 094227 [0,1,0,0,1,0|1,0,1]=4
19  B8R1.37  CC(N=C=O)C1CC1 097767 [0,0,1,1,0,0|1,0,1]=4
20  B6R0.3  CCC(C)C(C)N 214338 [0,0,1,0,1,0|1,0,1]=4
21  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,0,1,0,1,0|2,0,0]=4
22  B6R0.3  CCC(N)C(C)C 214340 [0,0,1,0,1,0|1,0,1]=4
23  B6R0.3  CNC(=O)[C@H](C)N 105085 [0,0,1,0,1,0|2,0,0]=4
24  B6R0.3  COC(C)C(=O)O 219524 [0,0,1,0,1,0|2,0,0]=4