smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(On2nc(N)c3c(Nc4ccccc4)ncnc32)C1	42.215923	0.8077815	5-44
C=CC(=O)N1CCCC(COn2nc(N)c3c(-c4cccc(Cl)c4)ncnc32)C1	45.022672	0.8098523	6-3
C=CC(=O)N1CCCC(COn2nc(N)c3c(-c4cccc(C)c4)ncnc32)C1	45.714499	0.8016962	6-7
C=CC(=O)N1CCCC(COn2nc(N)c3c(Oc4cccc(C)c4)ncnc32)C1	43.087744	0.79239744	6-12
C=CC(=O)N1CCCC(COn2nc(N)c3c(-c4ccc5ccccc5c4)ncnc32)C1	52.845439	0.79667884	6-97
