smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(c2[nH]c(Oc3ccccc3)c3c(N)ncnc23)C1	36.468050	0.7992888	0-1
C=CC(=O)N1CCCC(c2[nH]c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1	33.063278	0.9526549	0-0
C=CC(=O)N1CCCC(c2[nH]c(-c3ccccc3)c3c(N)ncnc23)C1	38.063504	0.8136121	0-5
C=CC(=O)N1CCCC(c2[nH]c(C#CCc3ccccc3)c3c(N)ncnc23)C1	28.219320	0.6539899	0-2
C=CC(=O)N1CCCC(c2[nH]c(C#CCOc3ccccc3)c3c(N)ncnc23)C1	29.041309	0.6589021	0-4
C=CC(=O)N1CCCC(c2[nH]c(COc3ccccc3)c3c(N)ncnc23)C1	32.086237	0.7953003	0-10
C=CC(=O)N1CCCC(c2[nH]c(CCc3ccccc3)c3c(N)ncnc23)C1	32.358826	0.80716926	0-14
C=CC(=O)N1CCCC(c2[nH]c(Oc3ccc(Cl)c(Cl)c3)c3c(N)ncnc23)C1	49.987188	0.9466447	0-13
C=CC(=O)N1CCCC(c2[nH]c(C#Cc3ccccc3)c3c(N)ncnc23)C1	33.836366	0.93659526	0-23
C=CC(=O)N1CCCC(c2[nH]c(Oc3cccc(OC)c3F)c3c(N)ncnc23)C1	43.409549	0.80111754	0-17
C=CC(=O)N1CCCC(c2[nH]c(Oc3cccc(N)c3)c3c(N)ncnc23)C1	46.071614	0.8117977	0-31
C=CC(=O)N1CCCC(c2[nH]c(Oc3ccc(C)cc3)c3c(N)ncnc23)C1	47.410689	0.66036	0-32
C=CC(=O)N1CCCC(c2[nH]c(-c3cccc(Cl)c3)c3c(N)ncnc23)C1	45.128643	0.8080339	0-34
C=CC(=O)N1CCCC(c2[nH]c(Cn3cccc3)c3c(N)ncnc23)C1	37.927008	0.81183577	0-39
C=CC(=O)N1CCCC(c2[nH]c(C#CCOc3ccc(OC)cc3)c3c(N)ncnc23)C1	35.385402	0.80568	0-41
C=CC(=O)N1CCCC(c2[nH]c(Oc3ccc(OC)cc3)c3c(N)ncnc23)C1	39.684972	0.81316715	0-43
C=CC(=O)N1CCCC(c2[nH]c(-c3ccc(N)cc3)c3c(N)ncnc23)C1	46.598194	0.81528	0-54
C=CC(=O)N1CCCC(c2[nH]c(OCCCc3ccccc3)c3c(N)ncnc23)C1	41.828167	0.8078476	0-51
C=CC(=O)N1CCCC(c2[nH]c(Oc3ccc(OCC)cc3)c3c(N)ncnc23)C1	39.978656	0.9419974	0-21
C=CC(=O)N1CCCC(c2[nH]c(Oc3cccc(O)c3)c3c(N)ncnc23)C1	52.120173	0.8049661	0-61
C=CC(=O)N1CCCC(c2[nH]c(Cc3ccccn3)c3c(N)ncnc23)C1	36.511890	0.81288594	0-25
C=CC(=O)N1CCCC(c2[nH]c(Nc3ccccc3)c3c(N)ncnc23)C1	45.454780	0.81079566	0-69
C=CC(=O)N1CCCC(c2[nH]c(Oc3cccc(C)c3)c3c(N)ncnc23)C1	45.693645	0.9392698	0-29
C=CC(=O)N1CCCC(c2[nH]c(C#Cc3ccccn3)c3c(N)ncnc23)C1	36.912471	0.935431	0-73
C=CC(=O)N1CCCC(c2[nH]c(C)c3c(N)ncnc23)C1	37.857572	0.8073737	0-85
C=CC(=O)N1CCCC(c2[nH]c(-c3ccc(Cl)cc3)c3c(N)ncnc23)C1	46.609048	0.80819213	0-83
C=CC(=O)N1CCCC(c2[nH]c(Sc3ccccc3)c3c(N)ncnc23)C1	43.374076	0.65879154	0-45
C=CC(=O)N1CCCC(c2[nH]c(Oc3ccccn3)c3c(N)ncnc23)C1	46.854372	0.80720705	0-63
C=CC(=O)N1CCCC(c2[nH]c(Oc3cccc(C(C)C)c3)c3c(N)ncnc23)C1	43.212116	0.6523091	0-52
C=CC(=O)N1CCCC(c2[nH]c(C#CCc3ccccn3)c3c(N)ncnc23)C1	37.903342	0.9490976	0-93
C=CC(=O)N1CCCC(c2[nH]c(OCCCn3cccc3)c3c(N)ncnc23)C1	48.037277	0.7933537	0-99
C=CC(=O)N1CCCC(Nc2[nH]c(Oc3ccccc3)c3c(N)ncnc23)C1	28.140958	0.7966125	1-1
C=CC(=O)N1CCCC(c2[nH]c(OCC)c3c(N)ncnc23)C1	42.032240	0.810349	0-78
C=CC(=O)N1CCCC(c2[nH]c(Oc3cccc(OC)c3)c3c(N)ncnc23)C1	42.159897	0.80273765	0-87
C=CC(=O)N1CCCC(Nc2[nH]c(Oc3ccc(OCC)cc3)c3c(N)ncnc23)C1	40.483353	0.8014653	1-21
C=CC(=O)N1CCCC(c2[nH]c(-c3ccccn3)c3c(N)ncnc23)C1	44.919582	0.8139811	0-16
C=CC(=O)N1CCCC(c2[nH]c(-c3cccc(C)c3)c3c(N)ncnc23)C1	45.351547	0.79839146	0-66
C=CC(=O)N1CCCC(c2[nH]c(C#CCOc3cccc(C)c3)c3c(N)ncnc23)C1	36.801524	0.7963376	0-70
C=CC(=O)N1CCCC(c2[nH]c(C#COc3ccccc3)c3c(N)ncnc23)C1	34.524664	0.7978313	0-30
C=CC(=O)N1CCCC(Nc2[nH]c(Oc3ccc(C)cc3)c3c(N)ncnc23)C1	38.870131	0.8014498	1-32
C=CC(=O)N1CCCC(c2[nH]c(-c3ccc(OC)cc3)c3c(N)ncnc23)C1	39.323567	0.8123749	0-76
C=CC(=O)N1CCCC(c2[nH]c(CCCc3ccccc3)c3c(N)ncnc23)C1	34.891361	0.6508208	0-35
C=CC(=O)N1CCCC(c2[nH]c(-c3cccc(N)c3)c3c(N)ncnc23)C1	45.958206	0.8119179	0-46
C=CC(=O)N1CCCC(c2[nH]c(CSc3ccccn3)c3c(N)ncnc23)C1	37.530723	0.8037932	0-82
C=CC(=O)N1CCCC(c2[nH]c(C#CC(O)c3ccccc3)c3c(N)ncnc23)C1	37.721107	0.7880003	0-89
C=CC(=O)N1CCCC(Nc2[nH]c(Oc3ccc(Cl)c(Cl)c3)c3c(N)ncnc23)C1	44.925817	0.7990157	1-13
C=CC(=O)N1CCCC(Nc2[nH]c(COc3ccccc3OC)c3c(N)ncnc23)C1	38.766135	0.6642048	1-58
C=CC(=O)N1CCCC(Nc2[nH]c(-c3cccc(C)c3)c3c(N)ncnc23)C1	46.989479	0.6585171	1-66
C=CC(=O)N1CCCC(Nc2[nH]c(CSc3ccccn3)c3c(N)ncnc23)C1	46.277109	0.8016115	1-82
C=CC(=O)N1CCC(c2[nH]c(-c3ccccc3)c3c(N)ncnc23)CC1	35.170783	0.80034924	2-5
C=CC(=O)N1CCC(c2[nH]c(-c3ccc(Cl)cc3)c3c(N)ncnc23)CC1	41.125101	0.8074151	2-83
C=CC(=O)N1CCC(c2[nH]c(COCc3ccccc3)c3c(N)ncnc23)CC1	40.600748	0.64843565	2-86
C=CC(=O)N1CCCC(Cc2[nH]c(C#CCc3ccccc3)c3c(N)ncnc23)C1	38.510256	0.7999074	4-2
C=CC(=O)N1CCCC(Cc2[nH]c(C#CCSc3ccccc3)c3c(N)ncnc23)C1	40.274509	0.7916183	4-6
C=CC(=O)N1CCCC(Cc2[nH]c(Oc3ccccn3)c3c(N)ncnc23)C1	45.119728	0.7979985	4-63
C=CC(=O)N1CCCC(Cc2[nH]c(OCCc3ccccc3)c3c(N)ncnc23)C1	43.452046	0.8044272	4-33
C=CC(=O)N1CCCC(Cc2[nH]c(-c3ccc(N)cc3)c3c(N)ncnc23)C1	38.487908	0.80525315	4-54
C=CC(=O)N1CCCC(Oc2[nH]c(-c3ccccn3)c3c(N)ncnc23)C1	48.286729	0.81650263	5-16
C=CC(=O)N1CCCC(Oc2[nH]c(-c3cccc(Cl)c3)c3c(N)ncnc23)C1	45.859707	0.8155832	5-34
C=CC(=O)N1CCCC(Oc2[nH]c(Oc3cccc(Cl)c3)c3c(N)ncnc23)C1	53.491700	0.8142436	5-18
C=CC(=O)N1CCCC(Oc2[nH]c(Oc3cccc(C)c3)c3c(N)ncnc23)C1	47.987133	0.8140083	5-29
C=CC(=O)N1CCCC(Oc2[nH]c(Oc3cccc(OC)c3)c3c(N)ncnc23)C1	44.673803	0.81395656	5-87
C=CC(=O)N1CCCC(Oc2[nH]c(-c3cccc(C)c3)c3c(N)ncnc23)C1	46.587971	0.8133862	5-66
C=CC(=O)N1CCCC(Oc2[nH]c(C)c3c(N)ncnc23)C1	47.889504	0.8183751	5-85
C=CC(=O)N1CCCC(Oc2[nH]c(C=CCc3ccccc3)c3c(N)ncnc23)C1	53.081914	0.8127335	5-77
C=CC(=O)N1CCC(c2[nH]c(-c3ccc(N)cc3)c3c(N)ncnc23)CC1	44.441197	0.8117476	2-54
C=CC(=O)N1CCCC(Oc2[nH]c(-c3ccc(OC)cc3)c3c(N)ncnc23)C1	47.750617	0.817901	5-76
C=CC(=O)N1CCCC(COc2[nH]c(C)c3c(N)ncnc23)C1	48.982087	0.814385	6-85
C=CC(=O)N1CCCC(COc2[nH]c(CNc3ccccc3)c3c(N)ncnc23)C1	53.233567	0.79585296	6-15
C=CC(=O)N1CCCC(COc2[nH]c(OCc3ccccn3)c3c(N)ncnc23)C1	51.668870	0.7910038	6-22
C=CC(=O)N1CCCC(c2[nH]c(COc3ccc(C)cc3)c3c(N)ncnc23)C1	38.374981	0.8013186	0-60
C=CC(=O)N1CCCC(c2[nH]c(-c3cccc(C(C)C)c3)c3c(N)ncnc23)C1	42.539908	0.94598335	0-80
C=CC(=O)N1CCCC(COc2[nH]c(-c3cccc(O)c3)c3c(N)ncnc23)C1	48.254450	0.8192831	6-97
C=CC(=O)N1CCCC(Cc2[nH]c(C#Cc3ccccn3)c3c(N)ncnc23)C1	54.823972	0.9362088	4-73
C=CC(=O)N1CCCC(Oc2[nH]c(Oc3ccc(C)cc3)c3c(N)ncnc23)C1	47.911222	0.8014266	5-32
C=CC(=O)N1CCC(c2[nH]c(Oc3ccccc3)c3c(N)ncnc23)CC1	31.237586	0.8066736	2-1
C=CC(=O)N1CCCC(Oc2[nH]c(CCNc3ccccc3)c3c(N)ncnc23)C1	58.542890	0.81689465	5-56
C=CC(=O)N1CCCC(Oc2[nH]c(Oc3ccccc3OCC)c3c(N)ncnc23)C1	52.178355	0.8086802	5-92
C=CC(=O)N1CCCC(COc2[nH]c(-c3cccc(OC)c3)c3c(N)ncnc23)C1	44.991049	0.81888974	6-47
C=CC(=O)N1CCCC(Cc2[nH]c(-c3ccc(OC)cc3)c3c(N)ncnc23)C1	39.480491	0.8051343	4-76
C=CC(=O)N1CCCC(Oc2[nH]c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1	34.201776	0.96055025	5-0
C=CC(=O)N1CCCC(Oc2[nH]c(COc3ccccc3)c3c(N)ncnc23)C1	45.415139	0.65736073	5-10
C=CC(=O)N1CCCC(Oc2[nH]c(C=CCOc3ccccc3)c3c(N)ncnc23)C1	50.431972	0.95609164	5-20
C=CC(=O)N1CCCC(Oc2[nH]c(CNc3ccccc3)c3c(N)ncnc23)C1	50.051417	0.7947449	5-15
C=CC(=O)N1CCCC(Oc2[nH]c(OC)c3c(N)ncnc23)C1	46.317435	0.67719156	5-42
C=CC(=O)N1CCCC(Oc2[nH]c(-c3cccc(N)c3)c3c(N)ncnc23)C1	49.848290	0.81995076	5-46
C=CC(=O)N1CCCC(COc2[nH]c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1	36.392588	0.9393876	6-0
C=CC(=O)N1CCCC(COc2[nH]c(-c3ccccc3)c3c(N)ncnc23)C1	40.946768	0.814547	6-5
C=CC(=O)N1CCCC(COc2[nH]c(COc3ccccc3)c3c(N)ncnc23)C1	47.313371	0.66788894	6-10
C=CC(=O)N1CCCC(COc2[nH]c(-c3cccc(N)c3)c3c(N)ncnc23)C1	48.042099	0.7978056	6-46
C=CC(=O)N1CCCC(COc2[nH]c(-c3ccc(OC)cc3)c3c(N)ncnc23)C1	48.084855	0.8150059	6-76
C=CC(=O)N1CCCC(COc2[nH]c(-c3cccc(OCC)c3)c3c(N)ncnc23)C1	48.013390	0.9440764	6-84
C=CC(=O)N1CCCC(COc2[nH]c(-c3cccc(C(C)C)c3)c3c(N)ncnc23)C1	46.821538	0.8074112	6-80
