smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(c2ncnc3c2c2ncnc(N)c2n3-c2cccc(OC)c2)C1	17.182197	0.7945575	0-2
C=CC(=O)N1CCCC(c2ncnc3c2c2ncnc(N)c2n3-c2ccccc2OC)C1	18.316292	0.64786863	0-12
C=CC(=O)N1CCCC(c2ncnc3c2c2ncnc(N)c2n3CCc2ccccc2)C1	26.011223	0.7930272	0-43
C=CC(=O)N1CCCC(c2ncnc3c2c2ncnc(N)c2n3-c2cccc(Oc3ccccc3)c2)C1	22.690165	0.78966135	0-60
C=CC(=O)N1CCCC(c2ncnc3c2c2ncnc(N)c2n3-c2ccc(OC)c(F)c2)C1	26.760439	0.64877343	0-87
C=CC(=O)N1CCCC(Nc2ncnc3c2c2ncnc(N)c2n3-c2cccc(N)c2)C1	30.494473	0.80919033	1-78
C=CC(=O)N1CCCC(Nc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2Cl)C1	28.756970	0.80954885	1-57
C=CC(=O)N1CCCC(Cc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2)C1	19.966824	0.803714	4-10
C=CC(=O)N1CCCC(Cc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2C)C1	23.215098	0.79183817	4-63
C=CC(=O)N1CCCC(Cc2ncnc3c2c2ncnc(N)c2n3-c2ccc(Cl)c(OC)c2)C1	27.826615	0.8047861	4-35
C=CC(=O)N1CCCC(Oc2ncnc3c2c2ncnc(N)c2n3-c2cccc(N)c2)C1	34.425604	0.67370546	5-78
C=CC(=O)N1CCCC(Cc2ncnc3c2c2ncnc(N)c2n3-c2ccc(F)c(C)c2)C1	23.831746	0.79924107	4-84
C=CC(=O)N1CCCC(Oc2ncnc3c2c2ncnc(N)c2n3-c2cccc(Cl)c2)C1	28.481766	0.8082837	5-5
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccc(O)c(OC)c2)C1	35.566835	0.81002396	6-38
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3CCc2ccccc2)C1	35.485350	0.8009267	6-43
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccc(CC)cc2)C1	33.481883	0.81355333	6-59
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2C)C1	33.501867	0.80678964	6-63
C=CC(=O)N1CCCC(Oc2ncnc3c2c2ncnc(N)c2n3-c2cc(OC)ccc2Cl)C1	36.813509	0.8075893	5-64
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2c(Cl)cccc2Cl)C1	32.895472	0.8120448	6-88
C=CC(=O)N1CCCC(Oc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2Cl)C1	33.557707	0.79803437	5-57
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccc(C)cc2)C1	27.397220	0.8119156	6-9
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2cccc(Cl)c2)C1	27.583173	0.8131164	6-5
C=CC(=O)N1CCCC(Cc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2Cl)C1	22.816329	0.8111391	4-57
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3C#CCNc2ccccc2)C1	31.675013	0.7925963	6-27
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2cc(OC)ccc2Cl)C1	34.544691	0.7936139	6-64
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccc(OCC(C)C)cc2)C1	33.303781	0.8036581	6-69
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccc(F)c(C)c2)C1	35.374552	0.81043893	6-84
C=CC(=O)N1CCCC(Cc2ncnc3c2c2ncnc(N)c2n3-c2cccc(CC)c2)C1	23.556198	0.7994716	4-40
C=CC(=O)N1CCCC(Oc2ncnc3c2c2ncnc(N)c2n3-c2ccc(N)cc2)C1	35.445189	0.80102575	5-92
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2cccc(OC)c2)C1	26.084517	0.6623252	6-2
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3-c2ccccc2OC)C1	27.352390	0.795009	6-12
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3C#CCOc2ccccc2)C1	31.894777	0.940922	6-32
C=CC(=O)N1CCCC(COc2ncnc3c2c2ncnc(N)c2n3C2CCCN(C(=O)C=CC)C2)C1	32.864971	0.78943425	6-96
