smiles	loglikelihood	phscore	position
C=CC(=O)N1CCCC(N2C=CN(c3ccccc3OC)c3c(N)ncnc32)C1	21.605690	0.8032123	0-1
C=CC(=O)N1CCCC(N2C=CN(c3ccccc3)c3c(N)ncnc32)C1	22.171808	0.8052657	0-3
C=CC(=O)N1CCCC(N2C=CN(C(C)C)c3c(N)ncnc32)C1	27.686665	0.8015251	0-13
C=CC(=O)N1CCCC(N2C=CN(c3cccc(Cl)c3)c3c(N)ncnc32)C1	22.224527	0.79151064	0-6
C=CC(=O)N1CCCC(N2C=CN(c3ccc(CC)cc3)c3c(N)ncnc32)C1	28.016273	0.6458616	0-14
C=CC(=O)N1CCCC(N2C=CN(COc3ccccc3)c3c(N)ncnc32)C1	29.610264	0.656985	0-10
C=CC(=O)N1CCCC(N2C=CN(c3ccc(O)cc3)c3c(N)ncnc32)C1	29.852809	0.8023725	0-30
C=CC(=O)N1CCCC(N2C=CN(c3ccc(F)cc3)c3c(N)ncnc32)C1	30.634014	0.8056701	0-46
C=CC(=O)N1CCCC(N2C=CN(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	30.702872	0.80762255	0-32
C=CC(=O)N1CCCC(N2C=CN(c3ccc(Cl)c(OC)c3)c3c(N)ncnc32)C1	30.476733	0.8075188	0-49
C=CC(=O)N1CCCC(N2C=CN(c3ccc(C)c(F)c3)c3c(N)ncnc32)C1	31.970245	0.7938096	0-68
C=CC(=O)N1CCCC(N2C=CN(Oc3cccc(C)c3)c3c(N)ncnc32)C1	32.069018	0.9413605	0-71
C=CC(=O)N1CCCC(N2C=CN(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	33.203787	0.9282386	0-76
C=CC(=O)N1CCCC(N2C=CN(c3ccc(Cl)cc3C)c3c(N)ncnc32)C1	32.830955	0.8040356	0-89
C=CC(=O)N1CCCC(N2C=CN(c3ccnc(OC)c3)c3c(N)ncnc32)C1	30.194636	0.8035868	0-56
C=CC(=O)N1CCCC(N2C=CN(c3ccc(SC)cc3)c3c(N)ncnc32)C1	30.146159	0.64438033	0-36
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(C)cc3)c3c(N)ncnc32)C1	22.074906	0.93330514	1-5
C=CC(=O)N1CCCC(NN2C=CN(c3ccccc3OC)c3c(N)ncnc32)C1	21.888199	0.81069046	1-1
C=CC(=O)N1CCCC(N2C=CN(Oc3ccc(C)cc3)c3c(N)ncnc32)C1	30.861441	0.80060416	0-41
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(C)c3)c3c(N)ncnc32)C1	22.357055	0.8105679	1-7
C=CC(=O)N1CCCC(NN2C=CN(COc3ccccc3)c3c(N)ncnc32)C1	29.728757	0.65311486	1-10
C=CC(=O)N1CCCC(N2C=CN(Nc3ccccc3)c3c(N)ncnc32)C1	30.926775	0.64516234	0-50
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(OCC)cc3)c3c(N)ncnc32)C1	29.046471	0.9457642	1-20
C=CC(=O)N1CCCC(N2C=CN(c3cccc(Br)c3)c3c(N)ncnc32)C1	33.458704	0.7917827	0-94
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(O)cc3)c3c(N)ncnc32)C1	30.153397	0.80788356	1-30
C=CC(=O)N1CCCC(NN2C=CN(c3ccccc3)c3c(N)ncnc32)C1	22.318021	0.80595267	1-3
C=CC(=O)N1CCCC(N2C=CN(c3ccc(F)cc3OC)c3c(N)ncnc32)C1	31.750810	0.8097903	0-60
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	30.950661	0.94189256	1-32
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(C(C)(C)C)c3)c3c(N)ncnc32)C1	30.291649	0.9426337	1-39
C=CC(=O)N1CCCC(N2C=CN(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	32.931297	0.78911614	0-75
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(OCC)c3)c3c(N)ncnc32)C1	30.614444	0.6527501	1-42
C=CC(=O)N1CCCC(N2C=CN(C=Cc3ccc(OC)cc3)c3c(N)ncnc32)C1	33.039071	0.79328287	0-85
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(N)c3)c3c(N)ncnc32)C1	29.645346	0.8056587	1-27
C=CC(=O)N1CCCC(NN2C=CN(c3cc(F)ccc3OC)c3c(N)ncnc32)C1	31.028266	0.81102306	1-52
C=CC(=O)N1CCCC(NN2C=CN(c3cc(Cl)ccc3OC)c3c(N)ncnc32)C1	30.375585	0.80625594	1-40
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(OC)cc3)c3c(N)ncnc32)C1	22.116776	0.80723923	1-4
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(F)cc3)c3c(N)ncnc32)C1	30.677876	0.80800617	1-46
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(C)c(F)c3)c3c(N)ncnc32)C1	32.143008	0.813526	1-68
C=CC(=O)N1CCCC(NN2C=CN(c3cc(OC)ccc3Cl)c3c(N)ncnc32)C1	31.902915	0.80575895	1-54
C=CC(=O)N1CCCC(N2C=CN(c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	32.186733	0.64662796	0-72
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	32.772945	0.7996819	1-82
C=CC(=O)N1CCCC(NN2C=CN(CSc3ccccc3)c3c(N)ncnc32)C1	33.235746	0.80147576	1-88
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(OC)cc3OC)c3c(N)ncnc32)C1	33.168032	0.811708	1-93
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(O)c3)c3c(N)ncnc32)C1	28.906240	0.8069153	1-22
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(NC)c3)c3c(N)ncnc32)C1	30.083163	0.80591935	1-31
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(NC)cc3)c3c(N)ncnc32)C1	30.651097	0.8126588	1-43
C=CC(=O)N1CCCC(N2C=CN(c3ccc(C)cc3OC)c3c(N)ncnc32)C1	33.038944	0.7986397	0-92
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(OC)c3F)c3c(N)ncnc32)C1	32.200325	0.81005317	1-70
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(OC)c3)c3c(N)ncnc32)C1	21.749568	0.8062042	1-0
C=CC(=O)N1CCCC(NN2C=CN(c3ccccc3SC)c3c(N)ncnc32)C1	30.719778	0.8098358	1-48
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(Cl)c3)c3c(N)ncnc32)C1	22.416879	0.9409539	1-6
C=CC(=O)N1CCCC(NN2C=CN(CCCC)c3c(N)ncnc32)C1	34.738221	0.7952896	1-98
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(C(C)C)cc3)c3c(N)ncnc32)C1	27.567824	0.9471717	1-11
C=CC(=O)N1CCCC(NN2C=CN(Oc3ccccc3)c3c(N)ncnc32)C1	29.733128	0.80237025	1-23
C=CC(=O)N1CCCC(NN2C=CN(COc3ccc(C)cc3)c3c(N)ncnc32)C1	29.002589	0.64746094	1-16
C=CC(=O)N1CCCC(NN2C=CN(c3ccccc3O)c3c(N)ncnc32)C1	32.711225	0.8044822	1-67
C=CC(=O)N1CCCC(NN2C=CN(Oc3cccc(C)c3)c3c(N)ncnc32)C1	32.218215	0.66018945	1-71
C=CC(=O)N1CCCC(NN2C=CN(CC)c3c(N)ncnc32)C1	30.200046	0.80617434	1-33
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(N)cc3)c3c(N)ncnc32)C1	30.339344	0.8061641	1-37
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(SC)c3)c3c(N)ncnc32)C1	28.246655	0.9526287	1-17
C=CC(=O)N1CCCC(NN2C=CN(c3ccccc3N)c3c(N)ncnc32)C1	34.703359	0.8109931	1-99
C=CC(=O)N1CCCC(NN2C=CN(c3ccccc3C)c3c(N)ncnc32)C1	29.524757	0.7992957	1-26
C=CC(=O)N1CCCC(NN2C=CN(Cc3ccccn3)c3c(N)ncnc32)C1	28.394164	0.8003214	1-19
C=CC(=O)N1CCC(N2C=CN(c3ccccc3)c3c(N)ncnc32)CC1	22.479317	0.8067697	2-3
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(Cl)c3Cl)c3c(N)ncnc32)C1	35.003702	0.8061282	1-97
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(Cl)c(OC)c3)c3c(N)ncnc32)C1	30.850425	0.8067947	1-49
C=CC(=O)N1CCC(N2C=CN(c3ccc(F)cc3)c3c(N)ncnc32)CC1	31.161745	0.8040194	2-46
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(F)c3)c3c(N)ncnc32)C1	31.020423	0.8069343	1-55
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(F)cc3OC)c3c(N)ncnc32)C1	32.093594	0.93917596	1-60
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1	33.594833	0.94354355	1-76
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(O)c3F)c3c(N)ncnc32)C1	31.899986	0.8033551	1-69
C=CC(=O)N1CCC(N2C=CN(c3ccc(C(C)(C)C)cc3)c3c(N)ncnc32)CC1	35.448443	0.93760616	2-64
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(Br)c3)c3c(N)ncnc32)C1	33.702365	0.81154346	1-94
C=CC(=O)N1CCC(N2C=CN(c3ccc(S(C)(=O)=O)cc3)c3c(N)ncnc32)CC1	33.820006	0.796004	2-84
C=CC(=O)N1CCC(N2C=CN(CSc3ccccc3)c3c(N)ncnc32)CC1	31.905439	0.64391315	2-88
C=CC(=O)N1CCC(N2C=CN(c3ccc(C)cc3OC)c3c(N)ncnc32)CC1	32.923124	0.7942579	2-92
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(C(C)C)c3)c3c(N)ncnc32)C1	23.311443	0.94670963	4-2
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(C)c3)c3c(N)ncnc32)C1	23.897635	0.93916845	4-7
C=CC(=O)N1CCCC(NN2C=CN(c3ccc(OC)cc3F)c3c(N)ncnc32)C1	31.513781	0.8102119	1-62
C=CC(=O)N1CCCC(NN2C=CN(Oc3cccc(C(C)(C)C)c3)c3c(N)ncnc32)C1	30.413276	0.6617982	1-65
C=CC(=O)N1CCCC(NN2C=CN(c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	32.320105	0.80585754	1-72
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(C)cc3)c3c(N)ncnc32)C1	23.602959	0.79644394	4-5
C=CC(=O)N1CCCC(NN2C=CN(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	32.501860	0.6602758	1-75
C=CC(=O)N1CCCC(CN2C=CN(Cc3ccccc3)c3c(N)ncnc32)C1	28.811534	0.80810976	4-8
C=CC(=O)N1CCCC(CN2C=CN(Cc3ccccn3)c3c(N)ncnc32)C1	30.585713	0.79886985	4-19
C=CC(=O)N1CCCC(NN2C=CN(Cc3cccc(OC)c3)c3c(N)ncnc32)C1	33.141136	0.81222695	1-86
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(O)cc3)c3c(N)ncnc32)C1	31.573645	0.80978936	4-30
C=CC(=O)N1CCCC(NN2C=CN(c3cccc(OC(C)C)c3)c3c(N)ncnc32)C1	34.127940	0.9510861	1-96
C=CC(=O)N1CCCC(CN2C=CN(c3ccccc3)c3c(N)ncnc32)C1	24.020048	0.8090451	4-3
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(F)cc3)c3c(N)ncnc32)C1	32.825891	0.806673	4-46
C=CC(=O)N1CCC(N2C=CN(c3cccc(O)c3)c3c(N)ncnc32)CC1	29.075755	0.803605	2-22
C=CC(=O)N1CCC(N2C=CN(c3ccc(N)cc3)c3c(N)ncnc32)CC1	30.656674	0.8039624	2-37
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(N)c3)c3c(N)ncnc32)C1	31.241979	0.8048412	4-27
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(O)c3F)c3c(N)ncnc32)C1	33.667617	0.8091319	4-69
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	32.796856	0.9400491	4-32
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(C(C)(C)C)c3)c3c(N)ncnc32)C1	31.854805	0.9428377	4-39
C=CC(=O)N1CCCC(CN2C=CN(COc3ccccc3C)c3c(N)ncnc32)C1	37.259360	0.8008146	4-87
C=CC(=O)N1CCC(N2C=CN(c3ccc(OC)cc3F)c3c(N)ncnc32)CC1	32.131033	0.80367506	2-62
C=CC(=O)N1CCC(N2C=CN(c3ccccc3O)c3c(N)ncnc32)CC1	31.590553	0.64964515	2-67
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(OC)cc3OC)c3c(N)ncnc32)C1	34.884993	0.80124825	4-93
C=CC(=O)N1CCCC(CN2C=CN(c3ccccc3N)c3c(N)ncnc32)C1	36.319978	0.8044235	4-99
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(CC)c3)c3c(N)ncnc32)C1	34.020167	0.9470498	4-63
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(OC)cc3)c3c(N)ncnc32)C1	28.547690	0.80858403	5-4
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(C)c(F)c3)c3c(N)ncnc32)C1	33.860650	0.8059871	4-68
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(O)cc3)c3c(N)ncnc32)C1	36.792106	0.80948603	5-30
C=CC(=O)N1CCCC(CN2C=CN(CC)c3c(N)ncnc32)C1	31.575431	0.80323327	4-33
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(N)cc3)c3c(N)ncnc32)C1	31.887458	0.8067244	4-37
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(F)cc3)c3c(N)ncnc32)C1	37.877197	0.8085908	5-46
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	34.034165	0.7988602	4-82
C=CC(=O)N1CCCC(CN2C=CN(CCCC)c3c(N)ncnc32)C1	35.492381	0.79958534	4-98
C=CC(=O)N1CCCC(CN2C=CN(c3cc(F)ccc3OC)c3c(N)ncnc32)C1	32.409467	0.8031486	4-52
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(C(C)C)c3)c3c(N)ncnc32)C1	28.294896	0.9461742	5-2
C=CC(=O)N1CCCC(ON2C=CN(Cc3ccccc3)c3c(N)ncnc32)C1	34.051356	0.7984093	5-8
C=CC(=O)N1CCCC(CN2C=CN(c3cc(C)cc(O)c3)c3c(N)ncnc32)C1	35.628907	0.80084586	4-77
C=CC(=O)N1CCCC(CN2C=CN(CSc3ccccc3)c3c(N)ncnc32)C1	34.235314	0.80120516	4-88
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(N)c3)c3c(N)ncnc32)C1	36.376502	0.8074576	5-27
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(Cl)c(Cl)c3)c3c(N)ncnc32)C1	37.980849	0.8084536	5-32
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(C(C)(C)C)c3)c3c(N)ncnc32)C1	36.903497	0.9419789	5-39
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(OCC)c3)c3c(N)ncnc32)C1	36.993341	0.95328677	5-42
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(C)c(F)c3)c3c(N)ncnc32)C1	38.879835	0.8031758	5-68
C=CC(=O)N1CCC(NN2C=CN(c3cccc(CC)c3)c3c(N)ncnc32)CC1	34.097434	0.6426572	3-63
C=CC(=O)N1CCCC(ON2C=CN(CSc3ccccc3)c3c(N)ncnc32)C1	39.473285	0.7989841	5-88
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(OC)c3)c3c(N)ncnc32)C1	23.124813	0.80828303	4-0
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(OC)cc3)c3c(N)ncnc32)C1	23.507326	0.8068465	4-4
C=CC(=O)N1CCCC(ON2C=CN(CCCC)c3c(N)ncnc32)C1	40.485413	0.8053277	5-98
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(SC)c3)c3c(N)ncnc32)C1	29.802750	0.9424214	4-17
C=CC(=O)N1CCCC(CN2C=CN(CCOc3ccccc3)c3c(N)ncnc32)C1	31.228176	0.8102108	4-18
C=CC(=O)N1CCCC(CN2C=CN(C#CCOc3ccc(C)cc3)c3c(N)ncnc32)C1	31.433651	0.7928731	4-28
C=CC(=O)N1CCCC(CN2C=CN(c3ccccc3OC)c3c(N)ncnc32)C1	23.275956	0.80807465	4-1
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(Cl)c3)c3c(N)ncnc32)C1	24.196146	0.8082465	4-6
C=CC(=O)N1CCCC(CN2C=CN(COc3ccccc3)c3c(N)ncnc32)C1	30.747278	0.79948986	4-10
C=CC(=O)N1CCCC(CN2C=CN(CNc3ccccc3)c3c(N)ncnc32)C1	33.666895	0.7988564	4-44
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(Cl)c(OC)c3)c3c(N)ncnc32)C1	32.272069	0.80745894	4-49
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(O)c3)c3c(N)ncnc32)C1	30.438722	0.80945855	4-22
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(F)c3)c3c(N)ncnc32)C1	33.217751	0.8088613	4-55
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(NC)c3)c3c(N)ncnc32)C1	31.519953	0.80811167	4-31
C=CC(=O)N1CCCC(CN2C=CN(c3ccnc(C)c3)c3c(N)ncnc32)C1	33.813964	0.9387886	4-66
C=CC(=O)N1CCCC(CN2C=CN(c3ccc(F)cc3OC)c3c(N)ncnc32)C1	33.408551	0.8087224	4-60
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(O)c3F)c3c(N)ncnc32)C1	38.116306	0.80654687	5-69
C=CC(=O)N1CCCC(ON2C=CN(c3ccccc3)c3c(N)ncnc32)C1	29.198361	0.8037546	5-3
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(OC(C)(C)C)c3)c3c(N)ncnc32)C1	39.172014	0.9483361	5-80
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(OC)c3F)c3c(N)ncnc32)C1	33.581320	0.80345374	4-70
C=CC(=O)N1CCCC(CN2C=CN(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	34.800921	0.80100983	4-75
C=CC(=O)N1CCCC(CN2C=CN(c3ccnc(OC)c3)c3c(N)ncnc32)C1	31.856841	0.8106694	4-56
C=CC(=O)N1CCCC(CN2C=CN(c3ccccc3O)c3c(N)ncnc32)C1	33.602074	0.8079643	4-67
C=CC(=O)N1CCCC(ON2C=CN(c3ccccc3N)c3c(N)ncnc32)C1	41.527193	0.807151	5-99
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(Br)c3)c3c(N)ncnc32)C1	35.470036	0.94251853	4-94
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(OC)c3)c3c(N)ncnc32)C1	28.053172	0.808437	5-0
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(C)cc3)c3c(N)ncnc32)C1	28.710179	0.80945367	5-5
C=CC(=O)N1CCCC(ON2C=CN(COc3ccccc3)c3c(N)ncnc32)C1	35.907532	0.6607217	5-10
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(SC)c3)c3c(N)ncnc32)C1	34.876029	0.6599597	5-17
C=CC(=O)N1CCCC(CN2C=CN(c3cccc(Cl)c3Cl)c3c(N)ncnc32)C1	35.759689	0.8090086	4-97
C=CC(=O)N1CCCC(ON2C=CN(c3ccccc3OC)c3c(N)ncnc32)C1	28.276568	0.79948986	5-1
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(C)c3)c3c(N)ncnc32)C1	29.023953	0.8112528	5-7
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(Cl)c3)c3c(N)ncnc32)C1	29.297148	0.93990827	5-6
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(O)c3)c3c(N)ncnc32)C1	35.510410	0.80391985	5-22
C=CC(=O)N1CCCC(ON2C=CN(C=C)c3c(N)ncnc32)C1	36.155767	0.81437624	5-38
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(N)cc3)c3c(N)ncnc32)C1	36.980768	0.8085832	5-37
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(NC)cc3)c3c(N)ncnc32)C1	37.246238	0.8094528	5-43
C=CC(=O)N1CCCC(ON2C=CN(c3ccccc3SC)c3c(N)ncnc32)C1	37.273457	0.81069577	5-48
C=CC(=O)N1CCCC(ON2C=CN(C#CCOc3ccc(C)cc3)c3c(N)ncnc32)C1	36.081647	0.79299855	5-28
C=CC(=O)N1CCCC(ON2C=CN(c3cc(F)ccc3OC)c3c(N)ncnc32)C1	37.553083	0.8072837	5-52
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(SC)cc3)c3c(N)ncnc32)C1	36.883017	0.8010494	5-36
C=CC(=O)N1CCCC(ON2C=CN(c3ccnc(OC)c3)c3c(N)ncnc32)C1	36.544927	0.8101689	5-56
C=CC(=O)N1CCCC(ON2C=CN(c3ccccc3O)c3c(N)ncnc32)C1	39.058551	0.8079233	5-67
C=CC(=O)N1CCCC(ON2C=CN(CNc3ccccc3)c3c(N)ncnc32)C1	39.085190	0.80161583	5-44
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(Cl)c(OC)c3)c3c(N)ncnc32)C1	37.300138	0.8049797	5-49
C=CC(=O)N1CCCC(ON2C=CN(c3cc(C)cc(O)c3)c3c(N)ncnc32)C1	40.400665	0.8115397	5-77
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(F)c3)c3c(N)ncnc32)C1	38.273944	0.8080806	5-55
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(F)cc3OC)c3c(N)ncnc32)C1	38.816131	0.8099737	5-60
C=CC(=O)N1CCCC(ON2C=CN(c3ccnc(C)c3)c3c(N)ncnc32)C1	39.363669	0.81321806	5-66
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(OC)c3F)c3c(N)ncnc32)C1	38.083717	0.81145364	5-70
C=CC(=O)N1CCCC(ON2C=CN(c3cc(Cl)ccc3C)c3c(N)ncnc32)C1	38.508239	0.79864687	5-72
C=CC(=O)N1CCCC(ON2C=CN(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	40.066181	0.6582286	5-75
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	38.756819	0.8050905	5-82
C=CC(=O)N1CCCC(ON2C=CN(c3ccc(Cl)cc3C)c3c(N)ncnc32)C1	39.961641	0.7974534	5-89
C=CC(=O)N1CCCC(CON2C=CN(COc3ccc(C)cc3)c3c(N)ncnc32)C1	36.420698	0.7989692	6-16
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(Br)c3)c3c(N)ncnc32)C1	40.594922	0.9419895	5-94
C=CC(=O)N1CCCC(ON2C=CN(c3cccc(Cl)c3Cl)c3c(N)ncnc32)C1	40.328060	0.8009123	5-97
C=CC(=O)N1CCCC(CON2C=CN(Oc3cccc(C)c3)c3c(N)ncnc32)C1	39.871300	0.9442232	6-71
C=CC(=O)N1CCCC(CON2C=CN(CCc3ccccc3)c3c(N)ncnc32)C1	37.473208	0.79294276	6-15
C=CC(=O)N1CCCC(CON2C=CN(c3ccc(OC)c(F)c3)c3c(N)ncnc32)C1	40.683022	0.657853	6-82
C=CC(=O)N1CCCC(CON2C=CN(OCc3ccccn3)c3c(N)ncnc32)C1	42.017985	0.79638165	6-91
C=CC(=O)N1CCCC(CON2C=CN(COc3ccc(OC)cc3)c3c(N)ncnc32)C1	41.030748	0.65178823	6-75
C=CC(=O)N1CCCC(CON2C=CN(OC)c3c(N)ncnc32)C1	41.901521	0.651705	6-95
